#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3da7 n GLY 3 N 0.00 1.45 3.84 0.23 0.00 -1.26 -5.08 105.19 104.37 3da7 n GLY 3 Ca 0.00 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 3da7 n GLY 3 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3da7 s ARG 4 N 2.33 3.98 0.25 1.61 1.70 -1.26 -5.07 118.95 122.49 3da7 s ARG 4 Ca 0.00 0.89 0.10 0.00 -0.47 0.00 0.00 55.73 56.25 3da7 s ARG 4 Cb 0.00 -2.20 -0.05 0.00 -0.57 0.00 0.00 34.95 32.13 3da7 s ARG 4 CO 0.00 -0.16 -0.17 0.95 -1.08 0.00 0.00 175.30 174.85 3da7 s THR 5 N -2.45 2.12 0.16 4.99 -4.23 -1.26 -4.91 115.64 110.07 3da7 s THR 5 Ca 0.58 -2.31 0.07 0.00 -1.18 0.00 0.00 61.69 58.85 3da7 s THR 5 Cb -0.10 -2.21 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 3da7 s THR 5 CO 0.27 -0.47 -0.14 0.26 -0.54 0.00 0.00 174.62 173.99 3da7 s TRP 6 N -2.73 1.57 0.22 3.99 0.52 -1.25 -0.92 118.94 120.34 3da7 s TRP 6 Ca 0.27 -0.58 0.02 0.00 0.02 0.00 0.00 56.10 55.83 3da7 s TRP 6 Cb -0.03 -0.77 -0.05 0.00 -1.15 0.00 0.00 33.47 31.47 3da7 s TRP 6 CO 0.12 0.25 0.04 1.03 0.02 0.00 0.00 176.95 178.41 3da7 s ARG 7 N -3.22 1.28 0.11 4.98 0.52 0.30 -0.53 118.95 122.40 3da7 s ARG 7 Ca 0.16 -1.66 0.03 0.00 -0.52 0.00 0.00 55.73 53.75 3da7 s ARG 7 Cb -0.02 -0.32 -0.04 0.00 0.52 0.00 0.00 34.95 35.08 3da7 s ARG 7 CO 0.05 -0.20 -0.08 -1.83 0.02 0.00 0.00 175.30 173.26 3da7 s GLU 8 N -3.96 0.91 -0.08 3.54 -1.05 -0.47 -1.31 118.70 116.29 3da7 s GLU 8 Ca 0.31 -1.35 -0.17 0.00 -0.15 0.00 0.00 54.97 53.61 3da7 s GLU 8 Cb 0.07 -0.40 0.04 0.00 -0.44 0.00 0.00 34.13 33.40 3da7 s GLU 8 CO 0.09 0.03 0.41 0.00 0.95 0.00 0.00 175.26 176.74 3da7 s ALA 9 N -3.34 -1.04 0.47 -0.84 0.00 -0.32 -0.28 121.76 116.42 3da7 s ALA 9 Ca 0.12 0.84 -0.22 0.00 0.00 0.00 0.00 51.96 52.70 3da7 s ALA 9 Cb 0.03 -0.27 -0.07 0.00 0.00 0.00 0.00 23.12 22.81 3da7 s ALA 9 CO -0.02 -0.25 1.17 -0.51 0.00 0.00 0.00 175.76 176.15 3da7 s ASP 10 N -0.64 6.08 0.14 0.00 1.11 0.23 -0.00 116.67 123.59 3da7 s ASP 10 Ca -0.07 2.31 0.06 0.00 0.18 0.00 0.00 52.55 55.02 3da7 s ASP 10 Cb -0.04 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 3da7 s ASP 10 CO 0.03 -0.98 -0.13 0.27 1.18 0.00 0.00 175.17 175.54 3da7 s ILE 11 N -1.56 1.35 -1.72 0.77 -4.36 -0.81 -4.75 121.20 110.12 3da7 s ILE 11 Ca 0.65 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 59.17 3da7 s ILE 11 Cb -0.28 -1.67 0.00 0.00 1.25 0.00 0.00 42.46 41.75 3da7 s ILE 11 CO 0.34 -0.52 0.00 0.59 0.24 0.00 0.00 174.94 175.60 3da7 n ASN 12 N 0.24 -5.07 -4.74 4.36 3.02 -1.26 -4.59 115.26 107.22 3da7 n ASN 12 Ca -0.13 0.30 -0.37 0.00 -0.03 0.00 0.00 54.58 54.34 3da7 n ASN 12 Cb 0.58 -4.11 -0.06 0.00 -0.61 0.00 0.00 39.78 35.58 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 -2.70 3.52 0.06 3.10 5.04 -1.26 -4.97 117.35 120.15 3da7 s TYR 13 Ca 0.00 0.80 -0.00 0.00 -2.44 0.00 0.00 57.07 55.43 3da7 s TYR 13 Cb 0.00 -2.44 -0.00 0.00 0.35 0.00 0.00 41.96 39.87 3da7 s TYR 13 CO 0.00 0.26 -0.00 0.25 -1.34 0.00 0.00 175.55 174.72 3da7 n THR 14 N 3.37 0.81 -3.89 4.34 -2.24 -1.26 -4.91 114.28 110.50 3da7 n THR 14 Ca -0.10 0.27 -0.08 0.00 -2.27 0.00 0.00 64.05 61.87 3da7 n THR 14 Cb 0.52 -1.56 -0.02 0.00 -2.10 0.00 0.00 70.33 67.17 3da7 n THR 14 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3da7 s SER 15 N -5.65 -0.12 0.00 3.42 1.04 -1.26 -4.89 113.70 106.24 3da7 s SER 15 Ca -0.00 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.61 3da7 s SER 15 Cb 0.00 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.84 3da7 s SER 15 CO 0.00 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.46 3da7 n GLY 16 N -0.46 0.10 3.75 7.32 0.00 -1.24 -4.84 105.19 109.82 3da7 n GLY 16 Ca -0.04 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 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 3.53 0.76 1.61 0.08 -1.26 -4.40 117.98 118.30 3da7 s PHE 17 Ca 0.00 1.61 -0.16 0.00 0.12 0.00 0.00 56.93 58.50 3da7 s PHE 17 Cb 0.00 -3.33 -0.02 0.00 -0.57 0.00 0.00 43.02 39.10 3da7 s PHE 17 CO 0.00 -0.75 0.54 0.54 -0.10 0.00 0.00 175.22 175.45 3da7 n ARG 18 N 1.74 0.22 -1.92 0.44 1.74 -1.26 -5.00 116.66 112.62 3da7 n ARG 18 Ca 0.01 0.12 -0.07 0.00 -0.77 0.00 0.00 57.85 57.14 3da7 n ARG 18 Cb 0.45 -1.86 0.01 0.00 -1.02 0.00 0.00 32.46 30.03 3da7 n ARG 18 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3da7 n ASN 19 N -0.56 1.14 -0.87 0.55 0.23 -1.26 -5.03 115.26 109.45 3da7 n ASN 19 Ca 0.10 -1.49 0.09 0.00 -0.53 0.00 0.00 54.58 52.74 3da7 n ASN 19 Cb 0.50 -0.05 0.24 0.00 -2.08 0.00 0.00 39.78 38.39 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 -2.30 2.55 -4.70 0.53 3.41 -1.26 -4.91 113.62 106.94 3da7 n SER 20 Ca 0.01 -1.95 -0.36 0.00 -0.26 0.00 0.00 58.87 56.31 3da7 n SER 20 Cb 0.17 -0.29 -0.08 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.13 6.27 0.03 4.04 1.01 -1.26 -1.43 116.67 124.20 3da7 s ASP 21 Ca 0.33 0.31 0.01 0.00 0.71 0.00 0.00 52.55 53.91 3da7 s ASP 21 Cb 0.18 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.94 3da7 s ASP 21 CO 0.24 0.09 -0.05 -0.13 0.21 0.00 0.00 175.17 175.53 3da7 s ARG 22 N 0.73 0.41 -0.09 8.23 1.81 -0.18 -1.92 118.95 127.93 3da7 s ARG 22 Ca 0.12 -0.68 -0.01 0.00 -1.72 0.00 0.00 55.73 53.43 3da7 s ARG 22 Cb -0.13 -0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 34.28 3da7 s ARG 22 CO 0.03 -0.01 -0.03 -1.50 -0.68 0.00 0.00 175.30 173.11 3da7 s ILE 23 N -1.47 4.00 -0.14 1.52 2.07 1.00 -1.45 121.20 126.73 3da7 s ILE 23 Ca -0.13 -0.36 0.02 0.00 -1.41 0.00 0.00 60.65 58.77 3da7 s ILE 23 Cb -0.10 -2.68 0.01 0.00 0.13 0.00 0.00 42.46 39.82 3da7 s ILE 23 CO -0.01 0.58 -0.20 -0.76 -1.91 0.00 0.00 174.94 172.65 3da7 s LEU 24 N -0.60 2.23 -0.02 8.50 2.01 0.11 -1.17 118.68 129.74 3da7 s LEU 24 Ca 0.09 -0.56 0.02 0.00 0.01 0.00 0.00 54.13 53.69 3da7 s LEU 24 Cb -0.12 -1.48 0.01 0.00 0.01 0.00 0.00 46.19 44.61 3da7 s LEU 24 CO 0.02 0.09 -0.05 -0.72 1.01 0.00 0.00 176.35 176.70 3da7 s TYR 25 N 0.78 0.61 0.51 0.29 1.13 -0.43 -0.11 117.35 120.12 3da7 s TYR 25 Ca -0.07 -0.13 0.04 0.00 -1.41 0.00 0.00 57.07 55.50 3da7 s TYR 25 Cb -0.16 -0.47 0.03 0.00 -1.10 0.00 0.00 41.96 40.26 3da7 s TYR 25 CO -0.01 -0.08 0.71 -1.54 -2.51 0.00 0.00 175.55 172.12 3da7 s SER 26 N 0.34 5.38 0.50 -0.18 1.04 -0.09 -0.54 113.70 120.14 3da7 s SER 26 Ca -0.04 -0.21 0.15 0.00 0.48 0.00 0.00 55.95 56.33 3da7 s SER 26 Cb -0.08 -0.72 1.20 0.00 0.10 0.00 0.00 66.02 66.52 3da7 s SER 26 CO -0.00 -1.03 2.13 0.77 0.98 0.00 0.00 173.24 176.08 3da7 h SER 27 N 0.27 0.08 -0.77 7.02 4.64 -1.38 0.81 113.55 124.23 3da7 h SER 27 Ca -0.41 -0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.68 3da7 h SER 27 Cb 1.29 -0.02 -0.14 0.00 -0.31 0.00 0.00 62.40 63.22 3da7 h SER 27 CO 0.49 0.06 0.30 -0.90 -0.87 0.00 0.00 176.83 175.90 3da7 n ASP 28 N -4.52 4.86 -2.31 4.97 3.85 -1.26 -4.95 116.55 117.18 3da7 n ASP 28 Ca -0.01 -3.24 -0.20 0.00 -0.71 0.00 0.00 54.79 50.62 3da7 n ASP 28 Cb 0.11 -0.76 -0.01 0.00 -1.35 0.00 0.00 41.12 39.11 3da7 n ASP 28 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 3da7 n TRP 29 N -0.18 -0.99 -2.25 2.11 7.02 0.28 -4.99 117.44 118.44 3da7 n TRP 29 Ca 0.42 0.02 -0.37 0.00 -1.02 0.00 0.00 57.50 56.55 3da7 n TRP 29 Cb 1.42 -3.88 -0.01 0.00 -2.42 0.00 0.00 31.31 26.42 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 -5.80 3.99 -0.04 -0.99 1.43 -1.26 -4.81 118.68 111.20 3da7 s LEU 30 Ca 0.01 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 3da7 s LEU 30 Cb -0.00 -4.26 0.02 0.00 0.03 0.00 0.00 46.19 41.98 3da7 s LEU 30 CO 0.01 -0.95 -0.02 -0.63 0.23 0.00 0.00 176.35 174.99 3da7 s ILE 31 N -1.55 0.37 0.16 -0.59 1.01 -1.26 -0.92 121.20 118.43 3da7 s ILE 31 Ca 0.64 0.01 0.07 0.00 0.00 0.00 0.00 60.65 61.37 3da7 s ILE 31 Cb -0.29 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 3da7 s ILE 31 CO 0.35 0.20 -0.16 -0.31 0.00 0.00 0.00 174.94 175.02 3da7 s TYR 32 N 1.17 1.64 0.19 3.97 1.51 0.84 -0.80 117.35 125.87 3da7 s TYR 32 Ca -0.07 -0.54 0.08 0.00 -1.01 0.00 0.00 57.07 55.52 3da7 s TYR 32 Cb -0.14 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.86 3da7 s TYR 32 CO -0.02 0.28 -0.15 -1.59 -1.11 0.00 0.00 175.55 172.96 3da7 s LYS 33 N -3.06 1.29 0.02 -0.62 -2.85 0.38 0.04 119.74 114.93 3da7 s LYS 33 Ca 0.16 -1.52 0.02 0.00 -1.00 0.00 0.00 55.97 53.62 3da7 s LYS 33 Cb -0.04 -1.13 -0.01 0.00 -2.06 0.00 0.00 37.83 34.59 3da7 s LYS 33 CO 0.05 0.20 -0.06 -0.08 0.10 0.00 0.00 175.35 175.56 3da7 s THR 34 N -2.73 0.43 -0.03 3.79 -1.32 -0.52 -0.59 115.64 114.66 3da7 s THR 34 Ca 0.20 -0.60 0.05 0.00 -1.21 0.00 0.00 61.69 60.12 3da7 s THR 34 Cb -0.02 -0.44 0.07 0.00 -1.51 0.00 0.00 72.50 70.61 3da7 s THR 34 CO 0.06 -0.13 0.92 0.35 -2.21 0.00 0.00 174.62 173.61 3da7 n THR 35 N 2.27 0.79 -1.97 5.08 -2.24 -1.26 -1.01 114.28 115.94 3da7 n THR 35 Ca -0.17 -0.89 -0.02 0.00 -2.27 0.00 0.00 64.05 60.70 3da7 n THR 35 Cb 0.57 0.43 0.12 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.52 2.30 -3.50 3.42 5.68 -1.24 -4.64 116.55 118.05 3da7 n ASP 36 Ca 0.04 -3.35 -0.18 0.00 -0.50 0.00 0.00 54.79 50.79 3da7 n ASP 36 Cb 0.50 -0.44 0.08 0.00 -1.14 0.00 0.00 41.12 40.11 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 -0.68 -2.15 -0.98 2.11 -0.00 -0.51 -3.12 115.22 109.89 3da7 n HIS 37 Ca 0.21 0.92 0.00 0.00 -0.00 0.00 0.00 57.72 58.85 3da7 n HIS 37 Cb 0.85 -4.93 0.00 0.00 -0.00 0.00 0.00 29.99 25.91 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 -4.20 0.00 -0.08 1.57 4.02 -1.26 -4.90 117.16 112.31 3da7 n TYR 38 Ca -0.28 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.49 3da7 n TYR 38 Cb 0.67 -0.18 -0.05 0.00 -0.02 0.00 0.00 39.34 39.76 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 1.69 0.47 -4.94 -0.72 4.20 -1.96 -3.45 115.11 110.41 3da7 h GLN 39 Ca 0.00 -0.19 -0.33 0.00 0.06 0.00 0.00 58.65 58.19 3da7 h GLN 39 Cb 0.06 -0.02 -0.19 0.00 0.30 0.00 0.00 27.48 27.62 3da7 h GLN 39 CO 0.00 0.72 -0.74 0.95 -0.67 0.00 0.00 178.83 179.09 3da7 s THR 40 N -4.67 0.87 0.06 -0.54 -4.23 -1.26 -5.11 115.64 100.76 3da7 s THR 40 Ca -0.14 -1.43 0.06 0.00 -1.18 0.00 0.00 61.69 59.00 3da7 s THR 40 Cb 0.07 -1.12 -0.03 0.00 1.34 0.00 0.00 72.50 72.77 3da7 s THR 40 CO 0.76 -0.45 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.87 3da7 s PHE 41 N -1.95 1.42 -0.06 3.99 0.08 -1.26 -4.44 117.98 115.75 3da7 s PHE 41 Ca 0.00 -0.40 0.06 0.00 0.12 0.00 0.00 56.93 56.71 3da7 s PHE 41 Cb -0.06 -0.82 -0.01 0.00 -0.57 0.00 0.00 43.02 41.56 3da7 s PHE 41 CO 0.00 0.08 -0.25 0.99 -0.10 0.00 0.00 175.22 175.95 3da7 s THR 42 N -1.02 2.05 0.08 0.64 2.01 0.24 -4.94 115.64 114.70 3da7 s THR 42 Ca 0.02 -1.06 -0.30 0.00 0.31 0.00 0.00 61.69 60.66 3da7 s THR 42 Cb -0.09 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 3da7 s THR 42 CO 0.02 0.57 1.05 -0.75 -0.69 0.00 0.00 174.62 174.82 3da7 s LYS 43 N -0.11 4.58 -0.31 4.92 2.20 -1.26 -0.47 119.74 129.28 3da7 s LYS 43 Ca -0.05 1.57 -0.15 0.00 -0.36 0.00 0.00 55.97 56.97 3da7 s LYS 43 Cb -0.14 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 3da7 s LYS 43 CO 0.04 0.00 0.38 0.42 -0.36 0.00 0.00 175.35 175.83 3da7 s ILE 44 N 0.48 5.16 -0.03 5.43 -1.09 0.02 -4.94 121.20 126.22 3da7 s ILE 44 Ca 0.52 0.31 -0.07 0.00 -2.23 0.00 0.00 60.65 59.17 3da7 s ILE 44 Cb -0.25 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 3da7 s ILE 44 CO 0.30 0.01 0.40 0.03 -1.23 0.00 0.00 174.94 174.45 3da7 h ARG 45 N 8.34 -0.24 0.00 2.79 3.08 -1.96 -3.39 114.38 122.99 3da7 h ARG 45 Ca -0.30 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.76 3da7 h ARG 45 Cb 1.15 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3da7 h ARG 45 CO 0.68 -0.16 0.00 0.00 -1.07 0.00 0.00 179.97 179.41 3da7 n VAL 56 N 0.00 0.00 -0.10 0.00 0.31 -1.26 -5.18 118.33 112.10 3da7 n VAL 56 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 3da7 n VAL 56 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 3da7 n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3da7 h ALA 57 N 0.00 0.38 -0.55 3.52 0.00 -2.00 0.71 119.26 121.32 3da7 h ALA 57 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3da7 h ALA 57 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3da7 h ALA 57 CO 0.00 0.10 0.33 0.38 0.00 0.00 0.00 179.25 180.05 3da7 h ASP 58 N 0.29 0.66 -0.99 0.00 2.03 -2.02 -2.61 116.42 113.77 3da7 h ASP 58 Ca 0.08 -0.06 0.02 0.00 -0.73 0.00 0.00 57.03 56.35 3da7 h ASP 58 Cb 0.39 -0.17 -0.05 0.00 -0.83 0.00 0.00 39.33 38.67 3da7 h ASP 58 CO 0.01 0.53 0.65 0.22 -1.03 0.00 0.00 179.24 179.62 3da7 h TYR 59 N 0.73 1.23 -0.58 4.15 5.03 -1.88 -2.89 116.97 122.77 3da7 h TYR 59 Ca 0.20 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.45 3da7 h TYR 59 Cb -0.01 -0.41 -0.02 0.00 1.55 0.00 0.00 36.73 37.83 3da7 h TYR 59 CO -0.02 0.74 0.02 -0.07 -1.32 0.00 0.00 178.16 177.51 3da7 h LEU 60 N 1.30 0.96 -1.05 2.82 3.38 -0.66 -2.87 115.31 119.19 3da7 h LEU 60 Ca 0.38 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 58.19 3da7 h LEU 60 Cb -0.07 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.35 3da7 h LEU 60 CO -0.10 1.00 0.63 -0.61 0.09 0.00 0.00 178.44 179.45 3da7 h GLN 61 N 0.92 1.02 0.00 1.13 4.15 -1.24 -1.51 115.11 119.58 3da7 h GLN 61 Ca 0.17 -0.06 -0.32 0.00 0.77 0.00 0.00 58.65 59.21 3da7 h GLN 61 Cb 0.50 -0.23 -0.05 0.00 0.21 0.00 0.00 27.48 27.92 3da7 h GLN 61 CO 0.02 0.68 -1.82 0.25 -1.93 0.00 0.00 178.83 176.03 3da7 n THR 62 N -4.55 1.52 0.48 2.39 -2.24 -1.20 -4.43 114.28 106.25 3da7 n THR 62 Ca 0.17 -0.17 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 3da7 n THR 62 Cb 0.28 -2.00 0.30 0.00 -2.10 0.00 0.00 70.33 66.80 3da7 n THR 62 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3da7 h TYR 63 N -1.00 0.00 -6.40 4.78 0.05 -1.63 -3.47 116.97 109.30 3da7 h TYR 63 Ca -0.48 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 57.81 3da7 h TYR 63 Cb 1.40 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 39.07 3da7 h TYR 63 CO -0.04 0.00 -0.81 0.72 -1.05 0.00 0.00 178.16 176.99 3da7 n HIS 64 N -2.51 -2.01 -3.64 4.88 8.25 -0.57 -4.95 115.22 114.67 3da7 n HIS 64 Ca 0.05 0.85 -0.09 0.00 -0.26 0.00 0.00 57.72 58.26 3da7 n HIS 64 Cb 0.47 -3.78 -0.02 0.00 1.12 0.00 0.00 29.99 27.78 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 -6.58 1.53 0.47 -0.41 -2.85 -1.26 -5.09 119.74 105.55 3da7 s LYS 65 Ca 0.46 -0.73 -0.20 0.00 -1.00 0.00 0.00 55.97 54.50 3da7 s LYS 65 Cb -0.24 0.60 -0.09 0.00 -2.06 0.00 0.00 37.83 36.04 3da7 s LYS 65 CO 0.86 -0.69 1.01 -0.51 0.10 0.00 0.00 175.35 176.12 3da7 s LEU 66 N -2.83 3.87 1.12 2.77 1.43 -1.26 -4.35 118.68 119.42 3da7 s LEU 66 Ca 0.06 1.85 -0.14 0.00 -1.03 0.00 0.00 54.13 54.87 3da7 s LEU 66 Cb -0.03 -4.55 0.21 0.00 0.03 0.00 0.00 46.19 41.84 3da7 s LEU 66 CO -0.03 -0.66 0.74 -0.81 0.23 0.00 0.00 176.35 175.82 3da7 n PRO 67 N -0.89 -1.85 0.24 1.29 -0.04 -1.26 -4.90 135.00 127.58 3da7 n PRO 67 Ca 0.09 -0.51 0.16 0.00 -0.04 0.00 0.00 63.50 63.20 3da7 n PRO 67 Cb 0.53 -2.06 0.69 0.00 -0.04 0.00 0.00 33.50 32.62 3da7 n PRO 67 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3da7 h ASP 68 N -2.36 0.00 -0.10 3.54 3.32 -2.01 -3.20 116.42 115.61 3da7 h ASP 68 Ca -0.56 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.49 3da7 h ASP 68 Cb 1.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.88 3da7 h ASP 68 CO 0.44 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.51 3da7 n ASN 69 N -2.82 1.88 -4.41 6.45 6.94 -1.26 -4.85 115.26 117.19 3da7 n ASN 69 Ca 0.01 -2.17 -0.33 0.00 -0.02 0.00 0.00 54.58 52.07 3da7 n ASN 69 Cb 0.25 -0.53 -0.14 0.00 -2.36 0.00 0.00 39.78 37.00 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 -1.28 2.80 0.03 -2.53 2.02 -1.21 -0.13 117.35 117.05 3da7 s TYR 70 Ca 0.09 -0.48 0.04 0.00 -0.37 0.00 0.00 57.07 56.36 3da7 s TYR 70 Cb 0.07 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 3da7 s TYR 70 CO 0.03 -0.08 -0.13 0.96 -1.57 0.00 0.00 175.55 174.76 3da7 s ILE 71 N 0.04 0.99 0.78 2.71 -4.36 -0.46 -4.87 121.20 116.03 3da7 s ILE 71 Ca -0.04 -0.90 -0.10 0.00 -0.26 0.00 0.00 60.65 59.34 3da7 s ILE 71 Cb -0.14 -0.90 0.06 0.00 1.25 0.00 0.00 42.46 42.73 3da7 s ILE 71 CO 0.04 0.00 1.09 0.42 0.24 0.00 0.00 174.94 176.74 3da7 s THR 72 N -0.79 3.28 0.16 8.37 -4.23 -1.18 -0.95 115.64 120.30 3da7 s THR 72 Ca 0.01 0.41 -0.17 0.00 -1.18 0.00 0.00 61.69 60.76 3da7 s THR 72 Cb -0.07 -2.88 0.07 0.00 1.34 0.00 0.00 72.50 70.95 3da7 s THR 72 CO 0.01 -0.54 1.68 0.11 -0.54 0.00 0.00 174.62 175.34 3da7 h LYS 73 N -1.16 0.04 -0.78 3.99 1.57 -1.96 -0.93 116.57 117.33 3da7 h LYS 73 Ca -0.44 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 3da7 h LYS 73 Cb 1.23 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 3da7 h LYS 73 CO 0.51 0.03 0.43 0.66 -0.57 0.00 0.00 179.45 180.51 3da7 h SER 74 N 0.04 0.97 -0.63 0.86 4.64 -1.99 0.21 113.55 117.65 3da7 h SER 74 Ca 0.18 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 3da7 h SER 74 Cb 0.27 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 3da7 h SER 74 CO -0.35 0.78 0.16 -0.33 -0.87 0.00 0.00 176.83 176.21 3da7 h GLU 75 N 1.09 1.04 -0.45 4.77 5.08 -1.78 -1.12 114.58 123.21 3da7 h GLU 75 Ca 0.28 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3da7 h GLU 75 Cb 0.02 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3da7 h GLU 75 CO -0.05 0.92 -0.10 0.00 -1.00 0.00 0.00 179.01 178.79 3da7 h ALA 76 N 1.17 0.99 0.04 3.43 0.00 -0.13 -2.74 119.26 122.01 3da7 h ALA 76 Ca 0.21 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3da7 h ALA 76 Cb 0.35 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3da7 h ALA 76 CO 0.00 0.60 -0.23 1.96 0.00 0.00 0.00 179.25 181.58 3da7 h GLN 77 N 0.72 -0.37 -0.04 0.00 7.50 -0.05 -0.15 115.11 122.72 3da7 h GLN 77 Ca 0.12 0.03 0.01 0.00 0.50 0.00 0.00 58.65 59.31 3da7 h GLN 77 Cb 0.58 0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.20 3da7 h GLN 77 CO 0.04 -0.25 0.04 0.00 -1.50 0.00 0.00 178.83 177.16 3da7 h ALA 78 N 0.44 1.69 -0.00 3.87 0.00 -1.11 0.46 119.26 124.61 3da7 h ALA 78 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3da7 h ALA 78 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3da7 h ALA 78 CO -0.19 -0.06 -0.01 1.28 0.00 0.00 0.00 179.25 180.27 3da7 n LEU 79 N -4.00 0.51 0.00 0.00 4.77 -0.99 -4.91 117.00 112.39 3da7 n LEU 79 Ca -0.02 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3da7 n LEU 79 Cb 0.13 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3da7 n LEU 79 CO 0.29 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3da7 n GLY 80 N 1.09 0.93 3.71 -0.72 0.00 0.16 -4.81 105.19 105.54 3da7 n GLY 80 Ca 0.21 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 3.26 -0.46 1.61 -0.00 -0.10 -4.96 118.94 116.29 3da7 s TRP 81 Ca 0.00 1.11 0.02 0.00 -0.00 0.00 0.00 56.10 57.23 3da7 s TRP 81 Cb 0.00 -3.54 0.12 0.00 -0.00 0.00 0.00 33.47 30.05 3da7 s TRP 81 CO 0.00 -1.81 0.20 0.08 -0.00 0.00 0.00 176.95 175.43 3da7 s VAL 82 N 1.38 2.70 0.26 5.86 1.01 -1.26 -4.56 120.40 125.78 3da7 s VAL 82 Ca 0.61 -2.81 -0.03 0.00 0.00 0.00 0.00 61.98 59.75 3da7 s VAL 82 Cb -0.32 -2.89 0.26 0.00 0.00 0.00 0.00 36.38 33.43 3da7 s VAL 82 CO 0.28 -0.73 1.68 0.00 0.00 0.00 0.00 175.10 176.33 3da7 h ALA 83 N 7.11 1.06 0.00 5.51 0.00 -1.98 0.29 119.26 131.26 3da7 h ALA 83 Ca -0.06 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3da7 h ALA 83 Cb 0.96 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3da7 h ALA 83 CO 0.63 -0.36 0.00 -1.13 0.00 0.00 0.00 179.25 178.39 3da7 n SER 84 N -5.17 0.00 -0.01 0.00 3.41 -1.26 -2.16 113.62 108.43 3da7 n SER 84 Ca 0.16 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 3da7 n SER 84 Cb 0.52 -0.49 -0.12 0.00 -0.26 0.00 0.00 64.21 63.86 3da7 n SER 84 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3da7 n LYS 85 N -1.49 0.65 -0.35 4.33 5.02 0.97 -5.01 118.16 122.28 3da7 n LYS 85 Ca 0.04 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3da7 n LYS 85 Cb 0.17 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 3da7 n LYS 85 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3da7 n GLY 86 N 1.45 1.47 1.16 0.72 0.00 -0.85 -4.91 105.19 104.24 3da7 n GLY 86 Ca -0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 3da7 n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3da7 n ASN 87 N 0.40 3.23 -0.00 1.61 6.94 -1.25 -3.68 115.26 122.51 3da7 n ASN 87 Ca 0.00 -3.44 -0.18 0.00 -0.02 0.00 0.00 54.58 50.94 3da7 n ASN 87 Cb 0.08 -0.62 -0.08 0.00 -2.36 0.00 0.00 39.78 36.79 3da7 n ASN 87 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3da7 h LEU 88 N 1.38 0.94 0.00 -4.53 5.85 -1.89 -2.97 115.31 114.09 3da7 h LEU 88 Ca 0.16 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3da7 h LEU 88 Cb 1.69 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.44 3da7 h LEU 88 CO 0.39 1.47 0.00 0.00 -0.34 0.00 0.00 178.44 179.96 3da7 n ALA 89 N -2.62 2.49 -0.12 1.25 0.00 -1.26 -1.08 120.51 119.17 3da7 n ALA 89 Ca -0.09 -0.16 -0.18 0.00 0.00 0.00 0.00 53.44 53.01 3da7 n ALA 89 Cb 0.80 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.68 3da7 n ALA 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3da7 n ASP 90 N -1.05 1.92 0.05 0.00 8.00 -1.14 -4.00 116.55 120.33 3da7 n ASP 90 Ca 0.19 -0.12 -0.13 0.00 0.71 0.00 0.00 54.79 55.45 3da7 n ASP 90 Cb 0.11 -0.38 -0.14 0.00 -0.02 0.00 0.00 41.12 40.69 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 0.00 1.24 -2.46 2.53 -1.51 -1.38 -3.42 116.25 111.25 3da7 h VAL 91 Ca -0.57 -2.93 -0.58 0.00 -1.23 0.00 0.00 66.70 61.39 3da7 h VAL 91 Cb 1.92 2.73 -0.38 0.00 -2.13 0.00 0.00 31.29 33.42 3da7 h VAL 91 CO -0.08 0.80 -0.91 0.00 -1.23 0.00 0.00 177.57 176.16 3da7 s ALA 92 N -2.64 1.10 0.29 5.19 0.00 -0.24 -4.99 121.76 120.47 3da7 s ALA 92 Ca -0.06 -2.11 -0.29 0.00 0.00 0.00 0.00 51.96 49.50 3da7 s ALA 92 Cb 0.08 -1.61 -0.10 0.00 0.00 0.00 0.00 23.12 21.49 3da7 s ALA 92 CO 0.84 -2.05 1.34 -2.14 0.00 0.00 0.00 175.76 173.75 3da7 s PRO 93 N 0.61 4.34 0.00 0.00 0.02 -1.26 -2.69 135.00 136.02 3da7 s PRO 93 Ca 0.25 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.48 3da7 s PRO 93 Cb -0.10 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3da7 s PRO 93 CO -0.09 -0.25 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 3da7 n GLY 94 N 1.42 0.84 3.74 0.52 0.00 -1.26 -5.03 105.19 105.43 3da7 n GLY 94 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.22 2.84 0.27 1.61 -0.14 -1.10 -4.77 119.74 118.23 3da7 s LYS 95 Ca 0.00 -0.66 0.12 0.00 -1.36 0.00 0.00 55.97 54.06 3da7 s LYS 95 Cb 0.00 -2.71 -0.05 0.00 -1.68 0.00 0.00 37.83 33.39 3da7 s LYS 95 CO 0.00 0.59 -0.18 -1.12 -0.76 0.00 0.00 175.35 173.88 3da7 s SER 96 N -2.09 3.71 0.13 2.83 0.01 0.81 -4.86 113.70 114.25 3da7 s SER 96 Ca 0.26 -0.97 -0.30 0.00 1.31 0.00 0.00 55.95 56.24 3da7 s SER 96 Cb -0.12 -0.37 -0.07 0.00 0.21 0.00 0.00 66.02 65.67 3da7 s SER 96 CO 0.17 0.04 1.16 -0.63 0.41 0.00 0.00 173.24 174.40 3da7 s ILE 97 N -2.45 3.86 -0.23 1.44 -1.09 -1.26 -1.36 121.20 120.12 3da7 s ILE 97 Ca 0.30 1.48 -0.34 0.00 -2.23 0.00 0.00 60.65 59.85 3da7 s ILE 97 Cb -0.05 -3.95 0.15 0.00 -1.58 0.00 0.00 42.46 37.03 3da7 s ILE 97 CO 0.15 0.20 1.26 -0.83 -1.23 0.00 0.00 174.94 174.49 3da7 s GLY 98 N 0.42 -0.19 0.00 6.18 0.00 -0.13 -0.60 107.32 113.00 3da7 s GLY 98 Ca 0.54 1.94 0.00 0.00 0.00 0.00 0.00 44.72 47.20 3da7 s GLY 98 CO 0.33 0.70 0.00 0.61 0.00 0.00 0.00 173.10 174.74 3da7 n GLY 99 N 0.10 0.49 3.82 0.20 0.00 0.62 -3.09 105.19 107.33 3da7 n GLY 99 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.82 6.62 0.32 1.61 1.01 -1.20 -4.78 116.67 117.44 3da7 s ASP 100 Ca 0.00 1.72 -0.29 0.00 0.71 0.00 0.00 52.55 54.69 3da7 s ASP 100 Cb 0.00 -2.54 -0.11 0.00 1.01 0.00 0.00 42.92 41.28 3da7 s ASP 100 CO 0.00 -0.58 1.54 -0.38 0.21 0.00 0.00 175.17 175.96 3da7 n ILE 101 N -1.08 1.42 -4.00 0.77 5.41 -1.26 -1.36 119.36 119.26 3da7 n ILE 101 Ca 0.08 -0.35 -0.34 0.00 1.00 0.00 0.00 62.75 63.13 3da7 n ILE 101 Cb 0.54 -1.94 -0.15 0.00 -0.71 0.00 0.00 39.64 37.38 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 -0.46 2.88 -1.92 1.39 5.36 0.31 -4.73 117.98 120.81 3da7 s PHE 102 Ca 0.60 -1.25 0.28 0.00 -0.96 0.00 0.00 56.93 55.61 3da7 s PHE 102 Cb -0.50 -2.03 1.17 0.00 -0.34 0.00 0.00 43.02 41.33 3da7 s PHE 102 CO 0.55 -0.66 1.82 0.43 -1.46 0.00 0.00 175.22 175.89 3da7 n SER 103 N 4.72 0.78 -3.79 6.13 7.64 -1.26 -3.86 113.62 123.98 3da7 n SER 103 Ca -0.19 -0.92 -0.25 0.00 1.01 0.00 0.00 58.87 58.52 3da7 n SER 103 Cb 0.50 -0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.71 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 -0.62 -1.69 0.22 6.43 5.15 -1.26 -4.81 115.26 118.67 3da7 n ASN 104 Ca 0.16 -0.93 0.07 0.00 -0.60 0.00 0.00 54.58 53.28 3da7 n ASN 104 Cb 0.29 -3.55 0.50 0.00 -0.53 0.00 0.00 39.78 36.49 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 -1.84 0.00 -0.00 1.20 3.08 -2.00 -1.38 114.38 113.44 3da7 h ARG 105 Ca -0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.42 3da7 h ARG 105 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 3da7 h ARG 105 CO 0.57 0.26 -0.43 0.39 -1.07 0.00 0.00 179.97 179.68 3da7 n GLU 106 N -3.89 0.49 -1.95 0.04 -0.58 -1.26 -4.94 120.64 108.54 3da7 n GLU 106 Ca -0.02 -0.31 -0.14 0.00 -0.42 0.00 0.00 57.16 56.27 3da7 n GLU 106 Cb 0.34 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.69 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 1.42 0.41 0.18 0.62 0.00 -0.52 -4.89 105.19 102.41 3da7 n GLY 107 Ca 0.09 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.84 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 -6.37 1.61 1.79 -1.92 -3.44 116.57 108.24 3da7 h LYS 108 Ca -0.32 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.60 3da7 h LYS 108 Cb 1.12 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.74 3da7 h LYS 108 CO 0.40 0.37 -0.16 -0.51 -1.08 0.00 0.00 179.45 178.47 3da7 s LEU 109 N -6.74 4.19 0.25 2.94 1.43 -1.26 -4.99 118.68 114.49 3da7 s LEU 109 Ca 0.02 0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 3da7 s LEU 109 Cb 0.09 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.64 3da7 s LEU 109 CO 0.69 -0.04 1.09 -2.16 0.23 0.00 0.00 176.35 176.17 3da7 s PRO 110 N -2.76 4.64 0.00 1.29 0.04 -1.26 -4.84 135.00 132.10 3da7 s PRO 110 Ca 0.46 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.26 3da7 s PRO 110 Cb -0.11 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.20 3da7 s PRO 110 CO 0.22 0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.85 3da7 n GLY 111 N 1.49 4.35 0.00 0.56 0.00 -1.26 -5.02 105.19 105.31 3da7 n GLY 111 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3da7 n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60