#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dl3 s ARG 5 N 0.00 1.79 -0.04 3.23 1.70 -1.26 -4.94 118.95 119.42 3dl3 s ARG 5 Ca 0.00 -1.31 -0.30 0.00 -0.47 0.00 0.00 55.73 53.65 3dl3 s ARG 5 Cb 0.00 -2.05 -0.03 0.00 -0.57 0.00 0.00 34.95 32.30 3dl3 s ARG 5 CO 0.00 0.44 1.14 0.42 -1.08 0.00 0.00 175.30 176.23 3dl3 s ILE 6 N -1.47 4.38 0.49 4.99 1.01 -1.26 -4.99 121.20 124.36 3dl3 s ILE 6 Ca 0.21 1.69 -0.22 0.00 0.00 0.00 0.00 60.65 62.33 3dl3 s ILE 6 Cb -0.09 -4.09 -0.08 0.00 0.01 0.00 0.00 42.46 38.21 3dl3 s ILE 6 CO 0.11 0.03 1.02 -2.65 0.00 0.00 0.00 174.94 173.46 3dl3 n PRO 7 N 4.86 1.26 -0.07 2.79 -0.02 -1.26 -4.92 135.00 137.65 3dl3 n PRO 7 Ca 0.10 0.46 0.03 0.00 -2.02 0.00 0.00 63.50 62.06 3dl3 n PRO 7 Cb 0.47 -2.14 0.36 0.00 -0.02 0.00 0.00 33.50 32.17 3dl3 n PRO 7 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3dl3 h LYS 8 N 1.20 0.67 -0.00 -0.52 3.64 -2.05 -2.53 116.57 116.99 3dl3 h LYS 8 Ca -0.47 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3dl3 h LYS 8 Cb 1.34 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3dl3 h LYS 8 CO 0.55 0.46 -0.17 0.27 -2.27 0.00 0.00 179.45 178.29 3dl3 n ASN 9 N -4.44 0.31 -4.79 4.20 6.94 -1.26 -4.90 115.26 111.32 3dl3 n ASN 9 Ca 0.04 -0.13 -0.32 0.00 -0.02 0.00 0.00 54.58 54.15 3dl3 n ASN 9 Cb 0.06 -0.13 0.05 0.00 -2.36 0.00 0.00 39.78 37.40 3dl3 n ASN 9 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3dl3 s TRP 10 N -2.78 2.86 0.22 -2.53 0.52 -0.96 -5.06 118.94 111.21 3dl3 s TRP 10 Ca 0.19 1.50 -0.00 0.00 0.02 0.00 0.00 56.10 57.81 3dl3 s TRP 10 Cb 0.19 -3.01 -0.04 0.00 -1.15 0.00 0.00 33.47 29.46 3dl3 s TRP 10 CO 0.55 -1.42 0.13 0.95 0.02 0.00 0.00 176.95 177.19 3dl3 s THR 11 N -2.70 0.07 -0.44 2.01 -4.23 -1.16 -4.96 115.64 104.22 3dl3 s THR 11 Ca 0.62 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.88 3dl3 s THR 11 Cb -0.17 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.18 3dl3 s THR 11 CO 0.47 0.00 0.91 -0.63 -0.54 0.00 0.00 174.62 174.83 3dl3 s ILE 12 N -4.07 4.52 0.16 2.99 1.01 -1.26 -1.59 121.20 122.96 3dl3 s ILE 12 Ca 0.39 0.83 0.02 0.00 0.00 0.00 0.00 60.65 61.88 3dl3 s ILE 12 Cb 0.07 -4.39 -0.16 0.00 0.01 0.00 0.00 42.46 37.98 3dl3 s ILE 12 CO 0.13 -0.74 1.36 0.06 0.00 0.00 0.00 174.94 175.75 3dl3 h GLN 13 N 8.91 0.21 -2.35 2.79 3.07 -1.48 -3.47 115.11 122.80 3dl3 h GLN 13 Ca -0.24 -0.24 -0.07 0.00 0.09 0.00 0.00 58.65 58.19 3dl3 h GLN 13 Cb 1.08 0.07 -0.18 0.00 0.08 0.00 0.00 27.48 28.52 3dl3 h GLN 13 CO 1.01 0.98 0.09 -0.98 0.09 0.00 0.00 178.83 180.01 3dl3 s ARG 14 N -3.18 1.00 -0.02 0.06 1.70 -1.22 -5.06 118.95 112.23 3dl3 s ARG 14 Ca -0.03 0.07 0.04 0.00 -0.47 0.00 0.00 55.73 55.33 3dl3 s ARG 14 Cb 0.10 0.46 -0.00 0.00 -0.57 0.00 0.00 34.95 34.94 3dl3 s ARG 14 CO 0.83 -0.32 -0.12 -1.12 -1.08 0.00 0.00 175.30 173.49 3dl3 s SER 15 N -1.41 1.50 0.60 -2.89 0.01 -1.26 -1.26 113.70 108.98 3dl3 s SER 15 Ca -0.10 -0.23 -0.07 0.00 1.31 0.00 0.00 55.95 56.86 3dl3 s SER 15 Cb -0.01 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.94 3dl3 s SER 15 CO 0.06 0.13 0.93 0.42 0.41 0.00 0.00 173.24 175.18 3dl3 s THR 16 N -0.09 3.79 0.60 1.44 -4.23 -0.52 -5.00 115.64 111.63 3dl3 s THR 16 Ca 0.01 0.13 -0.10 0.00 -1.18 0.00 0.00 61.69 60.55 3dl3 s THR 16 Cb -0.07 -3.51 0.14 0.00 1.34 0.00 0.00 72.50 70.39 3dl3 s THR 16 CO 0.00 -0.56 0.77 -0.81 -0.54 0.00 0.00 174.62 173.49 3dl3 n PRO 17 N -2.63 -0.94 -2.53 3.99 -0.04 -1.26 -4.47 135.00 127.12 3dl3 n PRO 17 Ca 0.05 -1.20 -0.42 0.00 -0.04 0.00 0.00 63.50 61.89 3dl3 n PRO 17 Cb 0.57 -0.83 -0.03 0.00 -0.04 0.00 0.00 33.50 33.17 3dl3 n PRO 17 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dl3 s PHE 18 N -2.66 3.56 0.06 0.54 0.08 -1.26 -4.54 117.98 113.76 3dl3 s PHE 18 Ca 0.44 1.52 0.07 0.00 0.12 0.00 0.00 56.93 59.08 3dl3 s PHE 18 Cb -0.01 -3.29 -0.04 0.00 -0.57 0.00 0.00 43.02 39.11 3dl3 s PHE 18 CO 0.31 -0.70 -0.14 -0.06 -0.10 0.00 0.00 175.22 174.54 3dl3 s PHE 19 N 0.49 2.66 0.21 0.36 0.08 0.11 -4.92 117.98 116.97 3dl3 s PHE 19 Ca 0.53 -0.19 0.04 0.00 0.12 0.00 0.00 56.93 57.43 3dl3 s PHE 19 Cb -0.27 -1.46 -0.02 0.00 -0.57 0.00 0.00 43.02 40.69 3dl3 s PHE 19 CO 0.31 0.34 0.16 0.25 -0.10 0.00 0.00 175.22 176.18 3dl3 n THR 20 N 1.24 0.00 0.28 0.64 -2.24 -1.26 -1.43 114.28 111.51 3dl3 n THR 20 Ca -0.15 -1.50 0.16 0.00 -2.27 0.00 0.00 64.05 60.29 3dl3 n THR 20 Cb 0.52 0.71 0.81 0.00 -2.10 0.00 0.00 70.33 70.28 3dl3 n THR 20 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3dl3 h LYS 21 N 0.00 0.00 0.00 -0.78 2.10 -1.84 -1.90 116.57 114.15 3dl3 h LYS 21 Ca -0.15 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.33 3dl3 h LYS 21 Cb 0.74 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.05 3dl3 h LYS 21 CO 0.23 0.07 -0.80 -0.44 -2.00 0.00 0.00 179.45 176.51 3dl3 h ASP 22 N 0.00 0.00 0.00 7.07 3.32 -1.93 -3.39 116.42 121.48 3dl3 h ASP 22 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dl3 h ASP 22 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3dl3 h ASP 22 CO 0.01 0.77 -0.18 -0.46 -1.72 0.00 0.00 179.24 177.66 3dl3 n ASN 23 N -3.28 0.25 -4.77 6.45 6.94 -1.14 -5.09 115.26 114.62 3dl3 n ASN 23 Ca 0.00 -1.54 -0.39 0.00 -0.02 0.00 0.00 54.58 52.64 3dl3 n ASN 23 Cb 0.85 -0.09 -0.01 0.00 -2.36 0.00 0.00 39.78 38.17 3dl3 n ASN 23 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3dl3 s VAL 24 N -0.21 2.87 -0.13 3.53 0.11 -0.73 -4.80 120.40 121.05 3dl3 s VAL 24 Ca 0.02 0.75 -0.29 0.00 -2.93 0.00 0.00 61.98 59.52 3dl3 s VAL 24 Cb 0.01 -3.43 -0.01 0.00 -1.53 0.00 0.00 36.38 31.42 3dl3 s VAL 24 CO 0.00 0.08 1.14 -2.84 -3.33 0.00 0.00 175.10 170.16 3dl3 s PRO 25 N -2.30 4.31 0.56 1.54 0.02 -1.26 -4.91 135.00 132.97 3dl3 s PRO 25 Ca 0.58 1.54 0.41 0.00 0.02 0.00 0.00 61.00 63.56 3dl3 s PRO 25 Cb -0.34 -3.63 1.57 0.00 0.02 0.00 0.00 34.50 32.11 3dl3 s PRO 25 CO 0.43 -0.53 1.65 0.93 -0.33 0.00 0.00 177.00 179.15 3dl3 h GLU 26 N 7.59 0.00 -0.50 5.54 5.08 -2.00 -0.05 114.58 130.24 3dl3 h GLU 26 Ca -0.28 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.13 3dl3 h GLU 26 Cb 1.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 3dl3 h GLU 26 CO 0.92 0.00 0.33 0.00 -1.00 0.00 0.00 179.01 179.27 3dl3 h ALA 27 N 1.13 1.84 0.08 3.43 0.00 -1.95 -2.57 119.26 121.22 3dl3 h ALA 27 Ca 0.71 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.35 3dl3 h ALA 27 Cb 2.97 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 20.63 3dl3 h ALA 27 CO -0.01 0.09 -1.12 -0.07 0.00 0.00 0.00 179.25 178.14 3dl3 h LEU 28 N 0.50 0.33 0.00 0.00 3.38 -1.40 -3.21 115.31 114.91 3dl3 h LEU 28 Ca 0.21 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3dl3 h LEU 28 Cb 0.21 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3dl3 h LEU 28 CO -0.06 1.23 0.00 0.18 0.09 0.00 0.00 178.44 179.88 3dl3 n LEU 29 N -3.53 0.00 -4.80 1.67 4.32 -0.98 -3.81 117.00 109.86 3dl3 n LEU 29 Ca -0.06 0.38 -0.22 0.00 -0.02 0.00 0.00 56.01 56.09 3dl3 n LEU 29 Cb 0.96 -0.38 -0.05 0.00 -1.62 0.00 0.00 43.42 42.33 3dl3 n LEU 29 CO 0.52 -0.19 -0.17 0.42 -1.22 0.00 0.00 177.39 176.75 3dl3 s THR 30 N -2.76 4.08 -0.42 -5.08 -4.23 -1.13 -4.58 115.64 101.52 3dl3 s THR 30 Ca 0.11 -1.48 -0.27 0.00 -1.18 0.00 0.00 61.69 58.87 3dl3 s THR 30 Cb 0.10 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 3dl3 s THR 30 CO 0.25 -0.31 2.07 -2.28 -0.54 0.00 0.00 174.62 173.81 3dl3 s HIS 31 N -2.21 1.44 0.30 3.99 2.46 -1.26 -4.55 115.29 115.46 3dl3 s HIS 31 Ca 0.34 0.91 -0.01 0.00 0.47 0.00 0.00 55.06 56.77 3dl3 s HIS 31 Cb -0.07 -3.93 0.01 0.00 -0.13 0.00 0.00 32.58 28.46 3dl3 s HIS 31 CO 0.24 -2.92 0.42 -2.39 -2.47 0.00 0.00 174.74 167.62 3dl3 n HIS 32 N 12.72 -1.29 -4.26 3.88 1.44 -0.75 -4.96 115.22 122.00 3dl3 n HIS 32 Ca 0.28 -2.05 -0.14 0.00 -2.01 0.00 0.00 57.72 53.79 3dl3 n HIS 32 Cb 0.50 0.47 -0.10 0.00 0.12 0.00 0.00 29.99 30.98 3dl3 n HIS 32 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3dl3 s ASN 33 N -2.89 1.55 0.77 4.39 6.03 -1.26 -0.24 114.94 123.30 3dl3 s ASN 33 Ca 0.26 -1.13 -0.09 0.00 -1.03 0.00 0.00 52.86 50.87 3dl3 s ASN 33 Cb -0.01 0.05 0.08 0.00 -3.03 0.00 0.00 41.25 38.34 3dl3 s ASN 33 CO 0.18 -0.47 1.10 0.42 -2.03 0.00 0.00 177.10 176.30 3dl3 s THR 34 N -3.49 2.14 0.97 0.54 -4.23 -1.24 -4.98 115.64 105.36 3dl3 s THR 34 Ca 0.22 -0.16 -0.14 0.00 -1.18 0.00 0.00 61.69 60.43 3dl3 s THR 34 Cb 0.05 -2.98 -0.00 0.00 1.34 0.00 0.00 72.50 70.90 3dl3 s THR 34 CO 0.04 0.00 0.09 0.00 -0.54 0.00 0.00 174.62 174.21 3dl3 n ALA 35 N -3.14 -3.38 0.17 3.99 0.00 -1.26 -3.56 120.51 113.34 3dl3 n ALA 35 Ca 0.09 -0.68 0.16 0.00 0.00 0.00 0.00 53.44 53.01 3dl3 n ALA 35 Cb 0.61 -1.62 0.77 0.00 0.00 0.00 0.00 19.45 19.20 3dl3 n ALA 35 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3dl3 h VAL 36 N -1.47 0.62 -0.28 0.00 -1.51 -1.96 -2.80 116.25 108.86 3dl3 h VAL 36 Ca -0.44 0.00 -0.21 0.00 -1.23 0.00 0.00 66.70 64.81 3dl3 h VAL 36 Cb 1.29 0.85 -0.33 0.00 -2.13 0.00 0.00 31.29 30.97 3dl3 h VAL 36 CO 0.32 0.00 -0.88 0.47 -1.23 0.00 0.00 177.57 176.25 3dl3 n ASP 37 N -4.05 0.70 -4.17 4.19 8.00 -1.26 -4.54 116.55 115.42 3dl3 n ASP 37 Ca 0.02 -2.07 -0.24 0.00 0.71 0.00 0.00 54.79 53.21 3dl3 n ASP 37 Cb 0.33 -0.16 -0.15 0.00 -0.02 0.00 0.00 41.12 41.13 3dl3 n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dl3 s VAL 38 N -2.42 1.38 -0.17 2.53 1.01 -1.20 -4.67 120.40 116.85 3dl3 s VAL 38 Ca 0.22 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 3dl3 s VAL 38 Cb 0.35 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3dl3 s VAL 38 CO -0.07 0.34 0.34 -0.36 0.00 0.00 0.00 175.10 175.34 3dl3 s PHE 39 N -0.49 3.43 -0.37 5.22 0.08 -0.26 -3.11 117.98 122.48 3dl3 s PHE 39 Ca 0.06 0.61 -0.15 0.00 0.12 0.00 0.00 56.93 57.57 3dl3 s PHE 39 Cb -0.07 -2.42 -0.00 0.00 -0.57 0.00 0.00 43.02 39.96 3dl3 s PHE 39 CO -0.00 0.14 0.32 0.20 -0.10 0.00 0.00 175.22 175.77 3dl3 s GLY 40 N 0.72 1.94 -0.30 4.36 0.00 0.24 -1.26 107.32 113.02 3dl3 s GLY 40 Ca 0.18 -1.41 -0.11 0.00 0.00 0.00 0.00 44.72 43.38 3dl3 s GLY 40 CO 0.06 0.93 0.18 1.62 0.00 0.00 0.00 173.10 175.88 3dl3 s GLN 41 N 1.87 3.62 -0.31 2.90 0.74 0.98 0.17 119.66 129.64 3dl3 s GLN 41 Ca 0.09 -0.54 -0.10 0.00 0.05 0.00 0.00 55.36 54.86 3dl3 s GLN 41 Cb -0.17 -3.62 -0.01 0.00 1.10 0.00 0.00 33.01 30.30 3dl3 s GLN 41 CO 0.11 -0.32 0.16 0.42 -0.55 0.00 0.00 175.29 175.11 3dl3 s ILE 42 N 1.69 4.71 -0.19 -2.34 1.01 0.01 -0.55 121.20 125.53 3dl3 s ILE 42 Ca 0.06 -0.32 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 3dl3 s ILE 42 Cb -0.17 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 3dl3 s ILE 42 CO 0.08 0.10 0.00 0.00 0.00 0.00 0.00 174.94 175.13 3dl3 s VAL 44 N 0.83 3.09 0.76 0.00 1.01 -0.61 -2.23 120.40 123.25 3dl3 s VAL 44 Ca 0.01 -1.11 -0.15 0.00 0.00 0.00 0.00 61.98 60.72 3dl3 s VAL 44 Cb -0.14 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3dl3 s VAL 44 CO 0.02 -0.03 0.76 1.21 0.00 0.00 0.00 175.10 177.05 3dl3 n GLU 46 N -1.71 0.28 0.00 2.72 4.07 -1.07 -0.17 120.64 124.77 3dl3 n GLU 46 Ca 0.05 0.15 0.00 0.00 -0.06 0.00 0.00 57.16 57.30 3dl3 n GLU 46 Cb 0.60 -2.05 0.00 0.00 -0.06 0.00 0.00 31.44 29.93 3dl3 n GLU 46 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3dl3 n GLY 47 N 1.29 0.22 3.09 8.31 0.00 -1.24 -1.38 105.19 115.48 3dl3 n GLY 47 Ca 0.11 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 3dl3 n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dl3 s VAL 48 N 0.00 1.07 -0.11 1.61 1.01 -1.26 -2.90 120.40 119.83 3dl3 s VAL 48 Ca 0.00 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.44 3dl3 s VAL 48 Cb 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 3dl3 s VAL 48 CO 0.00 0.31 -0.23 -0.69 0.00 0.00 0.00 175.10 174.49 3dl3 s VAL 49 N -0.26 2.14 -0.20 2.92 1.01 -0.48 -1.00 120.40 124.53 3dl3 s VAL 49 Ca 0.04 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 3dl3 s VAL 49 Cb -0.06 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 3dl3 s VAL 49 CO -0.00 0.56 0.02 -0.89 0.00 0.00 0.00 175.10 174.78 3dl3 s THR 50 N 0.38 4.16 -0.20 3.92 2.01 0.79 -0.22 115.64 126.49 3dl3 s THR 50 Ca -0.17 -0.24 -0.08 0.00 0.31 0.00 0.00 61.69 61.50 3dl3 s THR 50 Cb -0.18 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 3dl3 s THR 50 CO 0.08 0.42 0.08 -0.47 -0.69 0.00 0.00 174.62 174.05 3dl3 s TYR 51 N 0.93 3.27 -0.21 4.92 5.04 0.93 -1.04 117.35 131.19 3dl3 s TYR 51 Ca 0.02 0.09 0.01 0.00 -2.44 0.00 0.00 57.07 54.75 3dl3 s TYR 51 Cb -0.14 -2.13 0.03 0.00 0.35 0.00 0.00 41.96 40.07 3dl3 s TYR 51 CO 0.02 0.12 -0.15 0.71 -1.34 0.00 0.00 175.55 174.91 3dl3 s TYR 52 N 0.56 2.93 0.16 4.97 2.02 0.69 -0.75 117.35 127.92 3dl3 s TYR 52 Ca 0.04 -1.74 0.04 0.00 -0.37 0.00 0.00 57.07 55.04 3dl3 s TYR 52 Cb -0.13 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 3dl3 s TYR 52 CO 0.01 -0.80 0.18 0.20 -1.57 0.00 0.00 175.55 173.57 3dl3 s GLY 53 N 1.26 1.72 0.01 0.71 0.00 0.67 -0.78 107.32 110.91 3dl3 s GLY 53 Ca 0.01 -1.15 0.04 0.00 0.00 0.00 0.00 44.72 43.62 3dl3 s GLY 53 CO -0.10 -1.15 -0.11 -1.36 0.00 0.00 0.00 173.10 170.38 3dl3 s PHE 54 N -1.74 0.99 0.45 1.90 0.40 -0.26 -0.93 117.98 118.79 3dl3 s PHE 54 Ca 0.32 -0.26 0.13 0.00 -0.60 0.00 0.00 56.93 56.52 3dl3 s PHE 54 Cb -0.10 -0.61 1.05 0.00 0.51 0.00 0.00 43.02 43.86 3dl3 s PHE 54 CO 0.25 -0.00 2.04 0.00 0.70 0.00 0.00 175.22 178.20 3dl3 h ALA 55 N 5.43 1.95 -2.43 5.36 0.00 -1.87 -3.37 119.26 124.34 3dl3 h ALA 55 Ca -0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3dl3 h ALA 55 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3dl3 h ALA 55 CO 0.47 -0.02 0.11 0.27 0.00 0.00 0.00 179.25 180.08 3dl3 n ASN 56 N -4.48 -0.96 0.01 0.00 6.94 -1.26 -4.93 115.26 110.59 3dl3 n ASN 56 Ca 0.05 -1.67 0.10 0.00 -0.02 0.00 0.00 54.58 53.04 3dl3 n ASN 56 Cb 0.24 1.59 0.43 0.00 -2.36 0.00 0.00 39.78 39.68 3dl3 n ASN 56 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3dl3 n SER 57 N -1.24 0.06 -0.06 0.53 3.41 -1.26 -3.55 113.62 111.51 3dl3 n SER 57 Ca -0.04 0.51 -0.14 0.00 -0.26 0.00 0.00 58.87 58.94 3dl3 n SER 57 Cb 0.25 -0.52 -0.14 0.00 -0.26 0.00 0.00 64.21 63.53 3dl3 n SER 57 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dl3 n GLU 58 N -1.56 0.68 -1.51 4.33 4.71 -1.26 -4.98 120.64 121.05 3dl3 n GLU 58 Ca 0.05 0.18 -0.49 0.00 -0.01 0.00 0.00 57.16 56.89 3dl3 n GLU 58 Cb 0.24 -1.64 -0.04 0.00 -1.01 0.00 0.00 31.44 28.99 3dl3 n GLU 58 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3dl3 n ALA 59 N -2.88 -1.77 -0.09 0.62 0.00 -1.23 -4.91 120.51 110.26 3dl3 n ALA 59 Ca -0.31 0.45 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 3dl3 n ALA 59 Cb 1.06 -1.84 -0.15 0.00 0.00 0.00 0.00 19.45 18.52 3dl3 n ALA 59 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3dl3 n THR 60 N 0.65 1.44 -4.07 0.00 -1.04 -1.26 -4.94 114.28 105.07 3dl3 n THR 60 Ca 0.15 -0.82 -0.32 0.00 -2.04 0.00 0.00 64.05 61.03 3dl3 n THR 60 Cb 0.24 -0.66 -0.07 0.00 -1.82 0.00 0.00 70.33 68.03 3dl3 n THR 60 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3dl3 s GLU 61 N -2.51 2.99 0.44 -2.82 8.01 -1.26 -5.10 118.70 118.45 3dl3 s GLU 61 Ca -0.11 -0.59 -0.21 0.00 0.01 0.00 0.00 54.97 54.07 3dl3 s GLU 61 Cb 0.07 -2.80 -0.10 0.00 -4.31 0.00 0.00 34.13 26.99 3dl3 s GLU 61 CO 0.81 0.60 0.99 -1.25 0.01 0.00 0.00 175.26 176.43 3dl3 s PRO 62 N -2.12 4.08 0.00 0.39 0.04 -1.26 -4.73 135.00 131.40 3dl3 s PRO 62 Ca 0.27 1.26 0.22 0.00 0.04 0.00 0.00 61.00 62.78 3dl3 s PRO 62 Cb -0.12 -2.21 -0.13 0.00 0.04 0.00 0.00 34.50 32.07 3dl3 s PRO 62 CO 0.19 -0.18 0.97 -0.85 0.04 0.00 0.00 177.00 177.17 3dl3 n GLU 63 N -0.65 0.02 -3.71 4.56 0.28 -0.10 -4.93 120.64 116.11 3dl3 n GLU 63 Ca 0.07 -0.02 -0.13 0.00 -0.16 0.00 0.00 57.16 56.92 3dl3 n GLU 63 Cb 0.53 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.80 3dl3 n GLU 63 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 3dl3 s ILE 64 N -2.99 -0.00 -0.07 3.84 2.07 -1.19 -5.00 121.20 117.86 3dl3 s ILE 64 Ca 0.09 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.34 3dl3 s ILE 64 Cb 0.16 -0.67 0.02 0.00 0.13 0.00 0.00 42.46 42.11 3dl3 s ILE 64 CO 0.84 0.00 -0.07 -0.75 -1.91 0.00 0.00 174.94 173.05 3dl3 s LYS 65 N 0.31 1.23 -0.06 3.50 2.20 -1.26 -0.24 119.74 125.42 3dl3 s LYS 65 Ca -0.00 -0.21 0.02 0.00 -0.36 0.00 0.00 55.97 55.41 3dl3 s LYS 65 Cb -0.04 -1.19 0.02 0.00 -1.51 0.00 0.00 37.83 35.11 3dl3 s LYS 65 CO -0.00 -0.11 -0.09 0.08 -0.36 0.00 0.00 175.35 174.87 3dl3 s VAL 66 N 1.11 0.90 -0.28 4.02 1.01 0.07 -4.98 120.40 122.24 3dl3 s VAL 66 Ca -0.07 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 3dl3 s VAL 66 Cb -0.14 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3dl3 s VAL 66 CO -0.01 0.31 0.23 -0.69 0.00 0.00 0.00 175.10 174.94 3dl3 s VAL 67 N 0.84 5.28 -0.30 2.92 1.01 -1.26 -0.05 120.40 128.85 3dl3 s VAL 67 Ca -0.12 0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 3dl3 s VAL 67 Cb -0.15 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3dl3 s VAL 67 CO 0.01 0.21 0.11 -0.63 0.00 0.00 0.00 175.10 174.80 3dl3 s ILE 68 N 1.82 4.23 0.39 2.22 1.01 0.70 -5.00 121.20 126.57 3dl3 s ILE 68 Ca 0.09 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.22 3dl3 s ILE 68 Cb -0.16 -3.16 -0.00 0.00 0.01 0.00 0.00 42.46 39.15 3dl3 s ILE 68 CO 0.11 0.09 0.57 0.20 0.00 0.00 0.00 174.94 175.91 3dl3 s ASN 69 N 1.55 5.88 0.21 3.58 0.01 -1.26 -1.38 114.94 123.53 3dl3 s ASN 69 Ca 0.04 0.02 -0.32 0.00 -0.71 0.00 0.00 52.86 51.89 3dl3 s ASN 69 Cb -0.17 -1.34 -0.14 0.00 0.41 0.00 0.00 41.25 40.01 3dl3 s ASN 69 CO 0.04 -0.58 1.45 0.00 -1.51 0.00 0.00 177.10 176.49 3dl3 n ALA 70 N -1.86 1.09 -0.22 0.60 0.00 -1.14 -1.51 120.51 117.48 3dl3 n ALA 70 Ca 0.01 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3dl3 n ALA 70 Cb 0.58 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3dl3 n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dl3 n GLY 71 N 2.48 0.74 3.62 0.00 0.00 0.77 -4.99 105.19 107.81 3dl3 n GLY 71 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 3dl3 n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dl3 s GLN 72 N -0.69 1.96 -0.01 1.61 -0.21 -0.57 -5.00 119.66 116.76 3dl3 s GLN 72 Ca 0.00 -2.13 -0.17 0.00 0.02 0.00 0.00 55.36 53.08 3dl3 s GLN 72 Cb 0.00 -1.57 0.03 0.00 1.00 0.00 0.00 33.01 32.47 3dl3 s GLN 72 CO 0.00 -0.09 0.36 -0.59 -2.12 0.00 0.00 175.29 172.84 3dl3 s PHE 73 N -2.77 -0.24 -0.00 0.91 -0.12 -1.26 -1.58 117.98 112.92 3dl3 s PHE 73 Ca 0.32 0.36 0.03 0.00 -0.05 0.00 0.00 56.93 57.59 3dl3 s PHE 73 Cb 0.09 0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.61 3dl3 s PHE 73 CO 0.16 -0.43 -0.10 0.00 -0.05 0.00 0.00 175.22 174.81 3dl3 s ALA 74 N -1.38 0.80 0.15 1.99 0.00 -0.62 -4.95 121.76 117.75 3dl3 s ALA 74 Ca -0.13 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.38 3dl3 s ALA 74 Cb -0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 3dl3 s ALA 74 CO 0.05 0.18 0.31 0.95 0.00 0.00 0.00 175.76 177.25 3dl3 s THR 75 N -0.32 5.28 -0.24 0.00 -4.23 -1.26 -0.80 115.64 114.07 3dl3 s THR 75 Ca 0.03 -0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.11 3dl3 s THR 75 Cb -0.04 -3.70 0.04 0.00 1.34 0.00 0.00 72.50 70.14 3dl3 s THR 75 CO -0.00 -0.05 -0.12 -0.55 -0.54 0.00 0.00 174.62 173.36 3dl3 s SER 76 N -2.96 4.12 0.67 3.99 0.15 0.46 -4.94 113.70 115.18 3dl3 s SER 76 Ca 0.37 -1.10 -0.17 0.00 0.70 0.00 0.00 55.95 55.74 3dl3 s SER 76 Cb -0.12 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 3dl3 s SER 76 CO 0.28 -0.13 1.24 -2.16 1.20 0.00 0.00 173.24 173.67 3dl3 s PRO 77 N 1.20 2.49 0.13 5.44 0.04 -1.26 -0.60 135.00 142.45 3dl3 s PRO 77 Ca -0.03 1.91 -0.34 0.00 0.04 0.00 0.00 61.00 62.57 3dl3 s PRO 77 Cb -0.18 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.37 3dl3 s PRO 77 CO -0.07 -1.60 1.57 -0.35 0.04 0.00 0.00 177.00 176.60 3dl3 n PRO 78 N -2.13 2.03 -0.24 0.56 -0.04 -1.18 -2.11 135.00 131.89 3dl3 n PRO 78 Ca 0.15 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 3dl3 n PRO 78 Cb 0.49 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 3dl3 n PRO 78 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3dl3 n GLN 79 N 3.56 0.00 -2.29 0.54 6.02 -1.06 -4.94 117.38 119.20 3dl3 n GLN 79 Ca 0.18 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.75 3dl3 n GLN 79 Cb 0.28 -1.82 -0.03 0.00 1.02 0.00 0.00 30.24 29.68 3dl3 n GLN 79 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3dl3 s TYR 80 N -3.17 3.34 -0.00 1.08 5.04 -0.90 -4.67 117.35 118.06 3dl3 s TYR 80 Ca 0.00 1.17 -0.28 0.00 -2.44 0.00 0.00 57.07 55.52 3dl3 s TYR 80 Cb 0.00 -3.54 -0.04 0.00 0.35 0.00 0.00 41.96 38.73 3dl3 s TYR 80 CO 0.00 -1.77 0.90 -1.58 -1.34 0.00 0.00 175.55 171.77 3dl3 s TRP 81 N 0.81 3.66 0.28 4.97 0.52 -1.26 -3.66 118.94 124.27 3dl3 s TRP 81 Ca 0.60 1.60 -0.15 0.00 0.02 0.00 0.00 56.10 58.16 3dl3 s TRP 81 Cb -0.34 -3.03 0.01 0.00 -1.15 0.00 0.00 33.47 28.97 3dl3 s TRP 81 CO 0.32 0.05 0.61 -3.38 0.02 0.00 0.00 176.95 174.56 3dl3 s HIS 82 N 0.80 0.18 -0.05 -1.98 -3.43 0.67 -1.10 115.29 110.38 3dl3 s HIS 82 Ca 0.47 -0.61 -0.10 0.00 -0.80 0.00 0.00 55.06 54.03 3dl3 s HIS 82 Cb -0.20 0.44 0.02 0.00 -1.43 0.00 0.00 32.58 31.41 3dl3 s HIS 82 CO 0.26 -1.17 0.23 0.50 -2.00 0.00 0.00 174.74 172.56 3dl3 s ARG 83 N -3.69 0.43 0.08 -0.38 3.52 0.04 -1.81 118.95 117.13 3dl3 s ARG 83 Ca 0.18 0.01 0.08 0.00 -0.13 0.00 0.00 55.73 55.86 3dl3 s ARG 83 Cb -0.03 0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.52 3dl3 s ARG 83 CO 0.09 -0.09 -0.21 0.96 -0.81 0.00 0.00 175.30 175.24 3dl3 s ILE 84 N -0.64 1.73 -0.01 4.11 -4.36 -1.25 -0.22 121.20 120.56 3dl3 s ILE 84 Ca -0.07 -1.40 0.07 0.00 -0.26 0.00 0.00 60.65 58.98 3dl3 s ILE 84 Cb -0.04 -1.54 -0.02 0.00 1.25 0.00 0.00 42.46 42.11 3dl3 s ILE 84 CO 0.02 0.07 -0.21 -1.61 0.24 0.00 0.00 174.94 173.44 3dl3 s GLU 85 N -1.59 1.68 -0.04 0.37 2.02 -0.20 -4.54 118.70 116.41 3dl3 s GLU 85 Ca 0.07 -0.79 0.06 0.00 0.02 0.00 0.00 54.97 54.33 3dl3 s GLU 85 Cb -0.09 -1.65 -0.02 0.00 0.10 0.00 0.00 34.13 32.46 3dl3 s GLU 85 CO 0.03 0.45 -0.22 -0.51 0.02 0.00 0.00 175.26 175.03 3dl3 s LEU 86 N -0.61 2.26 0.92 1.80 1.43 -1.26 -0.15 118.68 123.07 3dl3 s LEU 86 Ca 0.08 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 3dl3 s LEU 86 Cb -0.08 -1.41 0.14 0.00 0.03 0.00 0.00 46.19 44.87 3dl3 s LEU 86 CO -0.00 0.31 1.09 -0.94 0.23 0.00 0.00 176.35 177.04 3dl3 s SER 87 N -0.57 3.26 0.57 2.29 1.04 -0.17 -4.89 113.70 115.22 3dl3 s SER 87 Ca 0.08 1.53 0.38 0.00 0.48 0.00 0.00 55.95 58.42 3dl3 s SER 87 Cb -0.11 -2.20 1.95 0.00 0.10 0.00 0.00 66.02 65.77 3dl3 s SER 87 CO 0.00 -2.78 2.15 0.44 0.98 0.00 0.00 173.24 174.03 3dl3 h ASP 88 N -1.64 0.00 -0.37 7.02 3.32 -2.00 -2.04 116.42 120.71 3dl3 h ASP 88 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3dl3 h ASP 88 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3dl3 h ASP 88 CO 0.53 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.15 3dl3 n ASP 89 N -2.90 3.38 -4.75 6.45 3.85 -1.26 -4.71 116.55 116.61 3dl3 n ASP 89 Ca -0.02 -2.29 -0.38 0.00 -0.71 0.00 0.00 54.79 51.39 3dl3 n ASP 89 Cb 0.12 -0.35 0.04 0.00 -1.35 0.00 0.00 41.12 39.58 3dl3 n ASP 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3dl3 s ALA 90 N -1.53 2.74 -0.21 2.12 0.00 -0.77 -3.73 121.76 120.38 3dl3 s ALA 90 Ca 0.32 1.27 -0.04 0.00 0.00 0.00 0.00 51.96 53.51 3dl3 s ALA 90 Cb 0.20 -3.55 0.11 0.00 0.00 0.00 0.00 23.12 19.88 3dl3 s ALA 90 CO 0.16 -1.36 0.35 -1.14 0.00 0.00 0.00 175.76 173.77 3dl3 s GLN 91 N -3.00 0.29 0.25 0.00 0.74 -0.48 -4.28 119.66 113.18 3dl3 s GLN 91 Ca 0.73 0.62 -0.07 0.00 0.05 0.00 0.00 55.36 56.69 3dl3 s GLN 91 Cb -0.39 -0.36 -0.02 0.00 1.10 0.00 0.00 33.01 33.35 3dl3 s GLN 91 CO 0.45 -0.51 0.36 -0.59 -0.55 0.00 0.00 175.29 174.44 3dl3 s PHE 92 N 2.51 0.74 0.15 1.67 -0.71 -0.51 -2.59 117.98 119.24 3dl3 s PHE 92 Ca 0.07 -1.03 -0.08 0.00 -1.04 0.00 0.00 56.93 54.86 3dl3 s PHE 92 Cb -0.14 -0.11 -0.01 0.00 -1.21 0.00 0.00 43.02 41.55 3dl3 s PHE 92 CO -0.14 -0.90 0.23 0.54 -1.34 0.00 0.00 175.22 173.62 3dl3 s ASN 93 N -3.10 0.10 -0.05 1.98 4.22 -0.95 0.08 114.94 117.23 3dl3 s ASN 93 Ca 0.29 -0.89 0.03 0.00 -2.14 0.00 0.00 52.86 50.15 3dl3 s ASN 93 Cb 0.02 0.40 0.00 0.00 1.28 0.00 0.00 41.25 42.95 3dl3 s ASN 93 CO 0.12 -0.84 -0.15 -0.63 -2.04 0.00 0.00 177.10 173.56 3dl3 s ILE 94 N -3.96 1.28 -0.12 0.54 1.01 -1.26 -1.59 121.20 117.10 3dl3 s ILE 94 Ca 0.16 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 3dl3 s ILE 94 Cb 0.04 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 3dl3 s ILE 94 CO -0.01 0.38 -0.03 0.20 0.00 0.00 0.00 174.94 175.47 3dl3 s ASN 95 N 0.25 4.88 -0.30 3.58 0.01 0.28 -1.44 114.94 122.20 3dl3 s ASN 95 Ca -0.07 -0.05 -0.07 0.00 -0.71 0.00 0.00 52.86 51.95 3dl3 s ASN 95 Cb -0.13 -1.60 0.01 0.00 0.41 0.00 0.00 41.25 39.94 3dl3 s ASN 95 CO 0.03 0.25 0.10 -0.36 -1.51 0.00 0.00 177.10 175.60 3dl3 s PHE 96 N -0.12 3.15 -0.13 2.20 0.08 -0.39 -0.01 117.98 122.76 3dl3 s PHE 96 Ca 0.03 -0.89 -0.07 0.00 0.12 0.00 0.00 56.93 56.12 3dl3 s PHE 96 Cb -0.13 -2.28 -0.04 0.00 -0.57 0.00 0.00 43.02 40.00 3dl3 s PHE 96 CO 0.02 -0.55 0.11 -1.58 -0.10 0.00 0.00 175.22 173.12 3dl3 s TRP 97 N 1.52 3.47 0.00 0.36 0.52 -0.39 -1.19 118.94 123.24 3dl3 s TRP 97 Ca 0.03 0.41 0.00 0.00 0.02 0.00 0.00 56.10 56.56 3dl3 s TRP 97 Cb -0.17 -1.96 0.00 0.00 -1.15 0.00 0.00 33.47 30.19 3dl3 s TRP 97 CO 0.03 0.58 0.00 -1.13 0.02 0.00 0.00 176.95 176.45 3dl3 n SER 98 N 2.37 0.00 0.00 2.95 3.41 -0.62 -1.10 113.62 120.63 3dl3 n SER 98 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3dl3 n SER 98 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3dl3 n SER 98 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21