#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dl3 n PRO 7 N 0.00 2.13 0.00 0.38 -0.04 -1.26 -4.87 135.00 131.33 3dl3 n PRO 7 Ca 0.00 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 3dl3 n PRO 7 Cb 0.00 -2.36 0.02 0.00 -0.04 0.00 0.00 33.50 31.12 3dl3 n PRO 7 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3dl3 n LYS 8 N 1.07 0.01 -0.00 0.54 0.00 -1.26 -2.10 118.16 116.41 3dl3 n LYS 8 Ca 0.07 0.38 0.09 0.00 -0.00 0.00 0.00 58.31 58.86 3dl3 n LYS 8 Cb 0.35 -1.50 -0.12 0.00 -0.00 0.00 0.00 35.03 33.75 3dl3 n LYS 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 3dl3 n ASN 9 N -1.39 0.75 -4.80 -5.58 6.94 -1.26 -4.98 115.26 104.94 3dl3 n ASN 9 Ca 0.00 -0.61 -0.33 0.00 -0.02 0.00 0.00 54.58 53.62 3dl3 n ASN 9 Cb 0.01 1.32 0.02 0.00 -2.36 0.00 0.00 39.78 38.77 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 -3.01 2.92 0.17 -2.53 0.52 -0.89 -5.01 118.94 111.11 3dl3 s TRP 10 Ca 0.02 1.52 0.04 0.00 0.02 0.00 0.00 56.10 57.70 3dl3 s TRP 10 Cb 0.14 -3.04 -0.05 0.00 -1.15 0.00 0.00 33.47 29.37 3dl3 s TRP 10 CO 0.80 -1.21 -0.08 -0.08 0.02 0.00 0.00 176.95 176.40 3dl3 s THR 11 N -2.40 1.17 -0.18 2.01 -1.32 -1.07 -4.94 115.64 108.91 3dl3 s THR 11 Ca 0.64 -2.06 -0.29 0.00 -1.21 0.00 0.00 61.69 58.77 3dl3 s THR 11 Cb -0.17 -1.99 -0.02 0.00 -1.51 0.00 0.00 72.50 68.82 3dl3 s THR 11 CO 0.37 -0.63 1.34 -0.63 -2.21 0.00 0.00 174.62 172.86 3dl3 s ILE 12 N -3.33 4.14 -0.07 5.08 1.01 -1.26 -2.31 121.20 124.45 3dl3 s ILE 12 Ca 0.20 1.36 -0.08 0.00 0.00 0.00 0.00 60.65 62.13 3dl3 s ILE 12 Cb 0.03 -3.94 -0.29 0.00 0.01 0.00 0.00 42.46 38.27 3dl3 s ILE 12 CO 0.03 -0.19 0.57 1.56 0.00 0.00 0.00 174.94 176.91 3dl3 h GLN 13 N 8.71 0.32 -2.87 2.79 7.50 -1.29 -3.48 115.11 126.79 3dl3 h GLN 13 Ca -0.28 -0.55 -0.13 0.00 0.50 0.00 0.00 58.65 58.19 3dl3 h GLN 13 Cb 1.11 0.20 -0.24 0.00 0.05 0.00 0.00 27.48 28.61 3dl3 h GLN 13 CO 0.98 1.23 -0.29 0.50 -1.50 0.00 0.00 178.83 179.76 3dl3 s ARG 14 N -2.58 0.46 -0.05 1.46 6.06 -1.20 -5.03 118.95 118.08 3dl3 s ARG 14 Ca -0.17 0.42 0.04 0.00 -2.50 0.00 0.00 55.73 53.52 3dl3 s ARG 14 Cb 0.06 0.22 -0.00 0.00 0.06 0.00 0.00 34.95 35.29 3dl3 s ARG 14 CO 0.82 -0.07 -0.17 -1.12 -2.50 0.00 0.00 175.30 172.27 3dl3 s SER 15 N -0.00 2.14 0.59 -2.12 0.01 -1.26 -0.20 113.70 112.86 3dl3 s SER 15 Ca -0.02 -0.35 -0.05 0.00 1.31 0.00 0.00 55.95 56.84 3dl3 s SER 15 Cb -0.03 -0.68 0.02 0.00 0.21 0.00 0.00 66.02 65.54 3dl3 s SER 15 CO 0.01 0.13 0.88 0.42 0.41 0.00 0.00 173.24 175.10 3dl3 s THR 16 N 0.16 3.38 0.65 1.44 -4.23 -0.52 -5.02 115.64 111.49 3dl3 s THR 16 Ca -0.06 -0.15 -0.10 0.00 -1.18 0.00 0.00 61.69 60.19 3dl3 s THR 16 Cb -0.13 -3.34 0.15 0.00 1.34 0.00 0.00 72.50 70.52 3dl3 s THR 16 CO 0.03 -0.33 0.88 -0.81 -0.54 0.00 0.00 174.62 173.84 3dl3 n PRO 17 N -2.56 -0.81 -2.27 3.99 -0.04 -1.26 -4.52 135.00 127.52 3dl3 n PRO 17 Ca 0.05 -1.41 -0.41 0.00 -0.04 0.00 0.00 63.50 61.69 3dl3 n PRO 17 Cb 0.58 -0.89 -0.03 0.00 -0.04 0.00 0.00 33.50 33.12 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 -2.89 3.31 0.06 0.54 2.99 -1.26 -4.61 117.98 116.11 3dl3 s PHE 18 Ca 0.50 1.39 0.07 0.00 0.00 0.00 0.00 56.93 58.88 3dl3 s PHE 18 Cb -0.01 -3.53 -0.04 0.00 0.00 0.00 0.00 43.02 39.44 3dl3 s PHE 18 CO 0.35 -1.50 -0.14 -0.06 -0.00 0.00 0.00 175.22 173.87 3dl3 s PHE 19 N -0.40 2.66 0.30 0.36 0.08 0.02 -4.97 117.98 116.04 3dl3 s PHE 19 Ca 0.52 -0.19 0.05 0.00 0.12 0.00 0.00 56.93 57.43 3dl3 s PHE 19 Cb -0.36 -1.47 -0.03 0.00 -0.57 0.00 0.00 43.02 40.59 3dl3 s PHE 19 CO 0.41 0.33 0.22 0.95 -0.10 0.00 0.00 175.22 177.04 3dl3 s THR 20 N -1.03 0.08 0.58 0.64 -4.23 -1.26 -2.61 115.64 107.80 3dl3 s THR 20 Ca 0.17 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.96 3dl3 s THR 20 Cb -0.11 -2.49 0.38 0.00 1.34 0.00 0.00 72.50 71.62 3dl3 s THR 20 CO 0.08 0.00 1.96 0.11 -0.54 0.00 0.00 174.62 176.24 3dl3 h LYS 21 N 2.23 0.00 0.00 3.99 1.79 -1.79 -0.06 116.57 122.73 3dl3 h LYS 21 Ca -0.29 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.08 3dl3 h LYS 21 Cb 1.24 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.87 3dl3 h LYS 21 CO 0.43 0.00 -1.06 -0.44 -1.08 0.00 0.00 179.45 177.30 3dl3 h ASP 22 N 0.00 0.00 0.00 0.86 3.45 -1.94 -3.41 116.42 115.39 3dl3 h ASP 22 Ca 0.19 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.65 3dl3 h ASP 22 Cb 0.99 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.76 3dl3 h ASP 22 CO -0.00 0.36 0.00 -0.46 -1.57 0.00 0.00 179.24 177.56 3dl3 n ASN 23 N -2.89 0.44 -4.68 6.45 6.94 -0.82 -5.06 115.26 115.63 3dl3 n ASN 23 Ca -0.04 -0.86 -0.44 0.00 -0.02 0.00 0.00 54.58 53.21 3dl3 n ASN 23 Cb 0.72 0.10 -0.04 0.00 -2.36 0.00 0.00 39.78 38.20 3dl3 n ASN 23 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 3dl3 n VAL 24 N -0.10 0.29 -1.92 3.53 3.14 -0.10 -4.81 118.33 118.35 3dl3 n VAL 24 Ca 0.00 -0.05 -0.41 0.00 -2.96 0.00 0.00 64.34 60.92 3dl3 n VAL 24 Cb 0.09 -1.92 -0.01 0.00 -1.06 0.00 0.00 33.84 30.94 3dl3 n VAL 24 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3dl3 s PRO 25 N 2.40 4.21 0.59 1.45 0.04 -1.26 -4.89 135.00 137.53 3dl3 s PRO 25 Ca 0.83 2.42 0.29 0.00 0.04 0.00 0.00 61.00 64.58 3dl3 s PRO 25 Cb -0.57 -3.04 1.51 0.00 0.04 0.00 0.00 34.50 32.43 3dl3 s PRO 25 CO 0.40 -0.45 1.94 1.05 0.04 0.00 0.00 177.00 179.97 3dl3 h GLU 26 N 4.06 0.00 0.00 4.56 4.11 -2.01 -1.24 114.58 124.06 3dl3 h GLU 26 Ca -0.48 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.94 3dl3 h GLU 26 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 3dl3 h GLU 26 CO 0.72 0.00 -0.04 0.00 0.07 0.00 0.00 179.01 179.75 3dl3 h ALA 27 N 1.52 1.77 0.00 1.06 0.00 -1.92 -1.44 119.26 120.25 3dl3 h ALA 27 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dl3 h ALA 27 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3dl3 h ALA 27 CO -0.00 0.05 -0.17 -0.07 0.00 0.00 0.00 179.25 179.07 3dl3 h LEU 28 N 0.00 0.00 -0.04 0.00 3.38 -1.60 -3.24 115.31 113.81 3dl3 h LEU 28 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dl3 h LEU 28 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dl3 h LEU 28 CO 0.01 0.01 -0.19 0.18 0.09 0.00 0.00 178.44 178.54 3dl3 n LEU 29 N -2.84 0.25 -4.59 1.67 4.32 -0.55 -1.58 117.00 113.68 3dl3 n LEU 29 Ca 0.04 0.24 -0.27 0.00 -0.02 0.00 0.00 56.01 55.99 3dl3 n LEU 29 Cb 0.51 -0.35 -0.09 0.00 -1.62 0.00 0.00 43.42 41.87 3dl3 n LEU 29 CO 0.34 0.06 -0.24 0.42 -1.22 0.00 0.00 177.39 176.75 3dl3 s THR 30 N -2.89 1.02 0.03 -5.08 -4.23 -1.19 -4.67 115.64 98.63 3dl3 s THR 30 Ca 0.16 -2.00 -0.36 0.00 -1.18 0.00 0.00 61.69 58.31 3dl3 s THR 30 Cb 0.19 -2.44 -0.15 0.00 1.34 0.00 0.00 72.50 71.44 3dl3 s THR 30 CO 0.57 0.00 1.56 1.41 -0.54 0.00 0.00 174.62 177.62 3dl3 n HIS 31 N -0.98 1.96 -3.61 3.99 8.25 -1.26 -4.47 115.22 119.09 3dl3 n HIS 31 Ca -0.09 0.41 -0.08 0.00 -0.26 0.00 0.00 57.72 57.70 3dl3 n HIS 31 Cb 0.66 -2.47 -0.02 0.00 1.12 0.00 0.00 29.99 29.28 3dl3 n HIS 31 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 3dl3 s HIS 32 N 1.61 -0.32 0.33 4.41 -0.00 -0.50 -4.95 115.29 115.87 3dl3 s HIS 32 Ca 0.86 0.05 -0.05 0.00 -0.00 0.00 0.00 55.06 55.92 3dl3 s HIS 32 Cb -0.84 0.60 0.00 0.00 -0.00 0.00 0.00 32.58 32.34 3dl3 s HIS 32 CO 0.47 -0.85 0.49 0.54 -0.00 0.00 0.00 174.74 175.40 3dl3 s ASN 33 N -2.76 0.65 0.42 7.38 6.03 -1.26 -0.93 114.94 124.48 3dl3 s ASN 33 Ca 0.07 -1.36 0.08 0.00 -1.03 0.00 0.00 52.86 50.61 3dl3 s ASN 33 Cb -0.02 0.66 0.01 0.00 -3.03 0.00 0.00 41.25 38.87 3dl3 s ASN 33 CO -0.04 -1.29 0.58 0.42 -2.03 0.00 0.00 177.10 174.74 3dl3 s THR 34 N -3.18 3.01 1.03 0.54 -4.23 -1.26 -4.92 115.64 106.62 3dl3 s THR 34 Ca 0.28 -0.98 -0.11 0.00 -1.18 0.00 0.00 61.69 59.70 3dl3 s THR 34 Cb -0.01 -3.01 0.20 0.00 1.34 0.00 0.00 72.50 71.03 3dl3 s THR 34 CO 0.17 -0.00 1.06 0.00 -0.54 0.00 0.00 174.62 175.31 3dl3 n ALA 35 N -1.87 -1.75 0.11 3.99 0.00 -1.26 -1.77 120.51 117.96 3dl3 n ALA 35 Ca 0.08 -0.82 0.07 0.00 0.00 0.00 0.00 53.44 52.77 3dl3 n ALA 35 Cb 0.59 -2.10 0.38 0.00 0.00 0.00 0.00 19.45 18.32 3dl3 n ALA 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3dl3 n VAL 36 N -4.55 1.23 -2.83 0.00 3.14 -1.26 -2.20 118.33 111.86 3dl3 n VAL 36 Ca 0.08 0.67 -0.01 0.00 -2.96 0.00 0.00 64.34 62.12 3dl3 n VAL 36 Cb 0.53 -1.67 0.05 0.00 -1.06 0.00 0.00 33.84 31.69 3dl3 n VAL 36 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3dl3 n ASP 37 N -1.99 1.53 -4.01 6.55 -0.08 -1.26 -4.75 116.55 112.55 3dl3 n ASP 37 Ca -0.01 -2.07 -0.22 0.00 -1.51 0.00 0.00 54.79 50.98 3dl3 n ASP 37 Cb 0.07 -0.47 -0.16 0.00 2.34 0.00 0.00 41.12 42.90 3dl3 n ASP 37 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3dl3 s VAL 38 N -3.73 0.93 -0.23 5.18 1.01 -0.93 -4.33 120.40 118.30 3dl3 s VAL 38 Ca 0.27 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 3dl3 s VAL 38 Cb 0.33 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 3dl3 s VAL 38 CO -0.04 0.30 0.12 -0.36 0.00 0.00 0.00 175.10 175.12 3dl3 s PHE 39 N 0.43 3.26 -0.21 5.22 0.08 0.14 -2.93 117.98 123.97 3dl3 s PHE 39 Ca -0.08 0.08 -0.10 0.00 0.12 0.00 0.00 56.93 56.95 3dl3 s PHE 39 Cb -0.12 -2.22 -0.05 0.00 -0.57 0.00 0.00 43.02 40.06 3dl3 s PHE 39 CO 0.02 0.01 0.14 0.20 -0.10 0.00 0.00 175.22 175.49 3dl3 s GLY 40 N 0.98 2.02 -0.24 4.36 0.00 -0.44 0.57 107.32 114.57 3dl3 s GLY 40 Ca 0.06 -0.75 -0.02 0.00 0.00 0.00 0.00 44.72 44.00 3dl3 s GLY 40 CO 0.03 0.21 -0.06 1.62 0.00 0.00 0.00 173.10 174.90 3dl3 s GLN 41 N 0.57 3.01 -0.47 2.90 0.74 0.09 0.92 119.66 127.43 3dl3 s GLN 41 Ca 0.08 -0.86 -0.16 0.00 0.05 0.00 0.00 55.36 54.47 3dl3 s GLN 41 Cb -0.12 -2.97 0.06 0.00 1.10 0.00 0.00 33.01 31.09 3dl3 s GLN 41 CO 0.00 -0.33 0.42 0.42 -0.55 0.00 0.00 175.29 175.25 3dl3 s ILE 42 N 1.37 5.18 -0.19 -2.34 1.01 0.49 -1.08 121.20 125.65 3dl3 s ILE 42 Ca 0.02 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 3dl3 s ILE 42 Cb -0.16 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 3dl3 s ILE 42 CO -0.05 -0.57 0.11 0.00 0.00 0.00 0.00 174.94 174.43 3dl3 s VAL 44 N 0.28 2.47 0.38 0.00 1.01 -0.42 -1.58 120.40 122.54 3dl3 s VAL 44 Ca 0.07 -1.50 -0.28 0.00 0.00 0.00 0.00 61.98 60.27 3dl3 s VAL 44 Cb -0.11 -2.97 -0.11 0.00 0.00 0.00 0.00 36.38 33.18 3dl3 s VAL 44 CO -0.01 0.00 1.50 1.21 0.00 0.00 0.00 175.10 177.80 3dl3 n GLU 46 N -1.42 2.71 0.00 2.72 2.13 -1.04 -0.11 120.64 125.62 3dl3 n GLU 46 Ca 0.01 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.78 3dl3 n GLU 46 Cb 0.63 -2.69 0.00 0.00 0.27 0.00 0.00 31.44 29.65 3dl3 n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dl3 n GLY 47 N 0.48 -0.92 2.87 8.31 0.00 -1.24 0.12 105.19 114.81 3dl3 n GLY 47 Ca 0.01 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.40 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 0.30 -0.12 1.61 1.01 -1.26 -3.18 120.40 118.76 3dl3 s VAL 48 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.96 3dl3 s VAL 48 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 3dl3 s VAL 48 CO 0.00 0.15 -0.18 -0.69 0.00 0.00 0.00 175.10 174.38 3dl3 s VAL 49 N 0.70 2.57 -0.23 2.92 1.01 -0.24 -1.65 120.40 125.47 3dl3 s VAL 49 Ca -0.08 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 3dl3 s VAL 49 Cb -0.11 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3dl3 s VAL 49 CO -0.01 0.54 0.11 -0.89 0.00 0.00 0.00 175.10 174.85 3dl3 s THR 50 N 0.41 4.91 -0.25 3.92 2.01 0.15 0.06 115.64 126.84 3dl3 s THR 50 Ca -0.14 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 61.78 3dl3 s THR 50 Cb -0.17 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 3dl3 s THR 50 CO 0.06 0.36 0.17 -0.47 -0.69 0.00 0.00 174.62 174.05 3dl3 s TYR 51 N 1.13 3.28 -0.25 4.92 5.04 0.68 -0.51 117.35 131.64 3dl3 s TYR 51 Ca 0.06 0.17 -0.02 0.00 -2.44 0.00 0.00 57.07 54.84 3dl3 s TYR 51 Cb -0.14 -2.30 0.03 0.00 0.35 0.00 0.00 41.96 39.89 3dl3 s TYR 51 CO 0.04 -0.02 -0.06 0.71 -1.34 0.00 0.00 175.55 174.88 3dl3 s TYR 52 N 1.28 3.06 0.05 4.97 2.02 -0.20 -0.80 117.35 127.73 3dl3 s TYR 52 Ca 0.07 -1.55 0.01 0.00 -0.37 0.00 0.00 57.07 55.23 3dl3 s TYR 52 Cb -0.14 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 3dl3 s TYR 52 CO 0.06 -0.73 0.16 0.20 -1.57 0.00 0.00 175.55 173.68 3dl3 s GLY 53 N 1.33 2.13 0.13 0.71 0.00 -0.19 -1.18 107.32 110.25 3dl3 s GLY 53 Ca 0.00 -0.88 0.08 0.00 0.00 0.00 0.00 44.72 43.93 3dl3 s GLY 53 CO -0.05 -0.84 -0.19 -1.36 0.00 0.00 0.00 173.10 170.66 3dl3 s PHE 54 N -1.44 1.79 0.30 1.90 0.40 -0.62 -0.89 117.98 119.42 3dl3 s PHE 54 Ca 0.32 -0.45 0.05 0.00 -0.60 0.00 0.00 56.93 56.25 3dl3 s PHE 54 Cb -0.13 -0.93 0.48 0.00 0.51 0.00 0.00 43.02 42.96 3dl3 s PHE 54 CO 0.25 0.26 1.75 0.00 0.70 0.00 0.00 175.22 178.18 3dl3 h ALA 55 N 3.64 1.17 -3.05 5.36 0.00 -1.86 -3.38 119.26 121.14 3dl3 h ALA 55 Ca -0.44 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.03 3dl3 h ALA 55 Cb 1.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3dl3 h ALA 55 CO 0.46 0.54 0.01 0.27 0.00 0.00 0.00 179.25 180.52 3dl3 n ASN 56 N -4.12 -0.97 -0.27 0.00 6.94 -1.26 -4.95 115.26 110.64 3dl3 n ASN 56 Ca -0.01 -1.99 -0.07 0.00 -0.02 0.00 0.00 54.58 52.50 3dl3 n ASN 56 Cb 0.41 1.70 0.05 0.00 -2.36 0.00 0.00 39.78 39.58 3dl3 n ASN 56 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3dl3 h SER 57 N 1.10 1.07 -0.62 0.53 0.02 -1.96 -3.09 113.55 110.59 3dl3 h SER 57 Ca -0.17 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3dl3 h SER 57 Cb 0.67 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3dl3 h SER 57 CO 0.22 0.99 0.00 -0.62 -1.14 0.00 0.00 176.83 176.28 3dl3 n GLU 58 N -4.27 2.46 -1.92 3.45 4.71 -1.26 -4.96 120.64 118.85 3dl3 n GLU 58 Ca 0.06 -2.27 -0.42 0.00 -0.01 0.00 0.00 57.16 54.53 3dl3 n GLU 58 Cb 0.22 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.14 3dl3 n GLU 58 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3dl3 s ALA 59 N -1.17 3.72 -0.07 0.62 0.00 -1.17 -4.92 121.76 118.76 3dl3 s ALA 59 Ca 0.42 1.41 0.12 0.00 0.00 0.00 0.00 51.96 53.91 3dl3 s ALA 59 Cb 0.22 -3.60 -0.23 0.00 0.00 0.00 0.00 23.12 19.50 3dl3 s ALA 59 CO 0.29 -0.82 0.56 -2.37 0.00 0.00 0.00 175.76 173.42 3dl3 n THR 60 N 2.87 1.60 -5.21 0.00 5.66 -1.26 -4.92 114.28 113.02 3dl3 n THR 60 Ca 0.10 -0.79 -0.31 0.00 -3.05 0.00 0.00 64.05 59.99 3dl3 n THR 60 Cb 0.39 -1.03 -0.15 0.00 -1.55 0.00 0.00 70.33 67.98 3dl3 n THR 60 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3dl3 s GLU 61 N -2.58 2.24 0.67 1.09 0.41 -1.26 -5.12 118.70 114.15 3dl3 s GLU 61 Ca -0.07 -0.87 -0.16 0.00 -0.41 0.00 0.00 54.97 53.45 3dl3 s GLU 61 Cb 0.08 -2.13 0.01 0.00 -1.78 0.00 0.00 34.13 30.30 3dl3 s GLU 61 CO 0.82 0.56 1.21 -2.14 -0.49 0.00 0.00 175.26 175.22 3dl3 s PRO 62 N -0.60 2.49 0.00 0.39 0.02 -1.26 -4.66 135.00 131.37 3dl3 s PRO 62 Ca 0.09 1.78 0.11 0.00 0.02 0.00 0.00 61.00 63.01 3dl3 s PRO 62 Cb -0.10 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 3dl3 s PRO 62 CO -0.00 -1.57 0.58 -0.85 -0.33 0.00 0.00 177.00 174.83 3dl3 n GLU 63 N -2.27 2.66 -3.71 5.54 0.28 -0.07 -4.97 120.64 118.11 3dl3 n GLU 63 Ca 0.13 -0.33 -0.13 0.00 -0.16 0.00 0.00 57.16 56.67 3dl3 n GLU 63 Cb 0.50 -1.08 -0.09 0.00 1.43 0.00 0.00 31.44 32.20 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 -1.76 -0.00 -0.07 3.84 2.07 -1.21 -5.01 121.20 119.06 3dl3 s ILE 64 Ca 0.07 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.30 3dl3 s ILE 64 Cb 0.09 -0.69 0.03 0.00 0.13 0.00 0.00 42.46 42.02 3dl3 s ILE 64 CO 0.37 0.00 0.00 -0.75 -1.91 0.00 0.00 174.94 172.66 3dl3 s LYS 65 N 0.31 0.56 -0.01 3.50 2.20 -1.26 -1.03 119.74 124.02 3dl3 s LYS 65 Ca -0.00 0.12 0.05 0.00 -0.36 0.00 0.00 55.97 55.77 3dl3 s LYS 65 Cb -0.04 -0.92 -0.01 0.00 -1.51 0.00 0.00 37.83 35.35 3dl3 s LYS 65 CO 0.00 -0.29 -0.16 0.08 -0.36 0.00 0.00 175.35 174.62 3dl3 s VAL 66 N 1.91 1.27 -0.27 4.02 1.01 0.02 -4.98 120.40 123.38 3dl3 s VAL 66 Ca 0.04 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 3dl3 s VAL 66 Cb -0.12 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3dl3 s VAL 66 CO -0.05 0.35 0.15 0.68 0.00 0.00 0.00 175.10 176.22 3dl3 s VAL 67 N -0.40 4.97 -0.29 2.92 -7.23 -1.26 -0.23 120.40 118.88 3dl3 s VAL 67 Ca 0.06 0.05 -0.10 0.00 -1.81 0.00 0.00 61.98 60.19 3dl3 s VAL 67 Cb -0.06 -3.35 -0.02 0.00 0.56 0.00 0.00 36.38 33.50 3dl3 s VAL 67 CO -0.01 0.29 0.14 -0.63 -0.31 0.00 0.00 175.10 174.59 3dl3 s ILE 68 N 1.64 4.72 0.34 -0.62 1.01 0.11 -4.97 121.20 123.42 3dl3 s ILE 68 Ca 0.07 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.56 3dl3 s ILE 68 Cb -0.15 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 38.98 3dl3 s ILE 68 CO 0.08 0.17 0.44 0.20 0.00 0.00 0.00 174.94 175.83 3dl3 s ASN 69 N 1.65 5.84 0.02 3.58 0.01 -1.26 -1.08 114.94 123.70 3dl3 s ASN 69 Ca 0.06 -0.25 -0.35 0.00 -0.71 0.00 0.00 52.86 51.61 3dl3 s ASN 69 Cb -0.16 -1.17 -0.13 0.00 0.41 0.00 0.00 41.25 40.20 3dl3 s ASN 69 CO 0.07 -0.43 1.68 0.00 -1.51 0.00 0.00 177.10 176.91 3dl3 n ALA 70 N -1.60 0.80 -0.09 0.60 0.00 -1.19 -1.05 120.51 117.98 3dl3 n ALA 70 Ca -0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3dl3 n ALA 70 Cb 0.58 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 3.76 0.89 3.29 0.00 0.00 0.84 -4.96 105.19 109.01 3dl3 n GLY 71 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.91 1.22 0.03 1.61 -0.21 -0.22 -5.01 119.66 116.18 3dl3 s GLN 72 Ca 0.00 -1.59 -0.08 0.00 0.02 0.00 0.00 55.36 53.71 3dl3 s GLN 72 Cb 0.00 -0.58 -0.00 0.00 1.00 0.00 0.00 33.01 33.43 3dl3 s GLN 72 CO 0.00 -0.05 0.16 -0.59 -2.12 0.00 0.00 175.29 172.69 3dl3 s PHE 73 N -3.42 0.09 0.10 0.91 -0.12 -1.26 -1.30 117.98 112.98 3dl3 s PHE 73 Ca 0.24 -0.31 0.08 0.00 -0.05 0.00 0.00 56.93 56.89 3dl3 s PHE 73 Cb 0.05 -0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.34 3dl3 s PHE 73 CO 0.06 -0.39 -0.19 0.00 -0.05 0.00 0.00 175.22 174.65 3dl3 s ALA 74 N -2.36 1.68 0.02 1.99 0.00 -0.32 -4.93 121.76 117.84 3dl3 s ALA 74 Ca -0.07 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.68 3dl3 s ALA 74 Cb -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 3dl3 s ALA 74 CO -0.03 0.31 0.11 -0.08 0.00 0.00 0.00 175.76 176.07 3dl3 s THR 75 N -1.25 4.86 -0.22 0.00 -1.32 -1.26 -0.38 115.64 116.07 3dl3 s THR 75 Ca 0.05 -0.44 0.01 0.00 -1.21 0.00 0.00 61.69 60.10 3dl3 s THR 75 Cb -0.10 -3.27 0.05 0.00 -1.51 0.00 0.00 72.50 67.68 3dl3 s THR 75 CO 0.04 0.28 -0.08 -0.55 -2.21 0.00 0.00 174.62 172.10 3dl3 s SER 76 N -1.98 3.72 0.65 8.08 0.15 0.26 -4.96 113.70 119.63 3dl3 s SER 76 Ca 0.26 -1.08 -0.17 0.00 0.70 0.00 0.00 55.95 55.66 3dl3 s SER 76 Cb -0.12 -1.23 -0.00 0.00 -1.71 0.00 0.00 66.02 62.96 3dl3 s SER 76 CO 0.18 -0.20 1.19 -2.16 1.20 0.00 0.00 173.24 173.45 3dl3 s PRO 77 N 1.37 2.65 0.10 5.44 0.04 -1.26 -1.33 135.00 142.00 3dl3 s PRO 77 Ca -0.04 1.71 -0.35 0.00 0.04 0.00 0.00 61.00 62.36 3dl3 s PRO 77 Cb -0.18 -1.90 -0.18 0.00 0.04 0.00 0.00 34.50 32.28 3dl3 s PRO 77 CO -0.07 -1.43 1.01 -2.30 0.04 0.00 0.00 177.00 174.25 3dl3 n PRO 78 N -2.15 0.43 -0.40 0.56 -0.02 -1.15 -1.71 135.00 130.55 3dl3 n PRO 78 Ca 0.13 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3dl3 n PRO 78 Cb 0.50 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 3dl3 n PRO 78 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3dl3 n GLN 79 N 1.57 0.00 -2.07 -0.52 6.02 -0.73 -4.92 117.38 116.72 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 0.17 -4.24 -0.03 0.00 1.02 0.00 0.00 30.24 27.17 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 -1.18 2.65 0.32 1.08 5.04 -0.70 -4.71 117.35 119.86 3dl3 s TYR 80 Ca 0.00 0.57 -0.27 0.00 -2.44 0.00 0.00 57.07 54.94 3dl3 s TYR 80 Cb 0.00 -3.81 -0.09 0.00 0.35 0.00 0.00 41.96 38.40 3dl3 s TYR 80 CO 0.00 -3.16 1.00 -1.58 -1.34 0.00 0.00 175.55 170.48 3dl3 s TRP 81 N 2.47 3.61 0.06 4.97 0.52 -1.26 -4.35 118.94 124.95 3dl3 s TRP 81 Ca 0.69 1.75 -0.28 0.00 0.02 0.00 0.00 56.10 58.29 3dl3 s TRP 81 Cb -0.36 -3.06 0.10 0.00 -1.15 0.00 0.00 33.47 29.00 3dl3 s TRP 81 CO 0.29 -0.12 1.16 -3.38 0.02 0.00 0.00 176.95 174.93 3dl3 s HIS 82 N -1.46 -0.05 0.14 -1.98 -3.43 -0.10 -1.59 115.29 106.83 3dl3 s HIS 82 Ca 0.49 -0.15 -0.11 0.00 -0.80 0.00 0.00 55.06 54.49 3dl3 s HIS 82 Cb -0.24 0.59 0.01 0.00 -1.43 0.00 0.00 32.58 31.51 3dl3 s HIS 82 CO 0.30 -0.51 0.32 -0.98 -2.00 0.00 0.00 174.74 171.87 3dl3 s ARG 83 N -2.61 1.10 0.11 -0.38 1.70 -0.33 -1.42 118.95 117.12 3dl3 s ARG 83 Ca 0.16 -0.99 0.05 0.00 -0.47 0.00 0.00 55.73 54.48 3dl3 s ARG 83 Cb 0.02 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 3dl3 s ARG 83 CO -0.01 -0.41 -0.13 0.96 -1.08 0.00 0.00 175.30 174.63 3dl3 s ILE 84 N -3.90 1.23 0.02 4.99 -4.36 -0.62 -1.03 121.20 117.53 3dl3 s ILE 84 Ca 0.10 -1.66 0.06 0.00 -0.26 0.00 0.00 60.65 58.89 3dl3 s ILE 84 Cb 0.03 -1.44 -0.02 0.00 1.25 0.00 0.00 42.46 42.27 3dl3 s ILE 84 CO -0.05 -0.42 -0.17 -1.61 0.24 0.00 0.00 174.94 172.92 3dl3 s GLU 85 N -2.59 1.23 0.20 0.37 2.02 0.33 -4.35 118.70 115.92 3dl3 s GLU 85 Ca 0.07 -0.74 0.11 0.00 0.02 0.00 0.00 54.97 54.43 3dl3 s GLU 85 Cb -0.05 -1.25 -0.04 0.00 0.10 0.00 0.00 34.13 32.89 3dl3 s GLU 85 CO 0.02 0.33 -0.23 -0.51 0.02 0.00 0.00 175.26 174.89 3dl3 s LEU 86 N -0.84 2.46 0.72 1.80 1.43 -1.26 0.30 118.68 123.30 3dl3 s LEU 86 Ca 0.05 -0.89 -0.09 0.00 -1.03 0.00 0.00 54.13 52.17 3dl3 s LEU 86 Cb -0.07 -1.14 0.05 0.00 0.03 0.00 0.00 46.19 45.06 3dl3 s LEU 86 CO 0.01 0.10 1.07 -0.94 0.23 0.00 0.00 176.35 176.81 3dl3 s SER 87 N -2.79 4.94 0.29 2.29 1.04 -0.66 -4.97 113.70 113.84 3dl3 s SER 87 Ca 0.22 0.73 -0.02 0.00 0.48 0.00 0.00 55.95 57.36 3dl3 s SER 87 Cb -0.07 -1.40 0.44 0.00 0.10 0.00 0.00 66.02 65.08 3dl3 s SER 87 CO 0.10 -1.58 1.95 -0.78 0.98 0.00 0.00 173.24 173.92 3dl3 h ASP 88 N -0.70 0.97 -0.78 7.02 3.58 -2.01 -2.73 116.42 121.77 3dl3 h ASP 88 Ca -0.45 -0.02 -0.30 0.00 0.42 0.00 0.00 57.03 56.68 3dl3 h ASP 88 Cb 1.30 -0.23 -0.18 0.00 1.72 0.00 0.00 39.33 41.94 3dl3 h ASP 88 CO 0.63 0.69 0.38 -0.90 -2.88 0.00 0.00 179.24 177.16 3dl3 n ASP 89 N -4.42 4.34 -4.72 2.28 5.75 -1.26 -4.49 116.55 114.03 3dl3 n ASP 89 Ca 0.11 -3.26 -0.42 0.00 -0.01 0.00 0.00 54.79 51.21 3dl3 n ASP 89 Cb 0.06 -0.76 -0.04 0.00 -1.03 0.00 0.00 41.12 39.35 3dl3 n ASP 89 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dl3 s ALA 90 N -2.90 3.31 -0.07 2.12 0.00 -1.03 -3.67 121.76 119.53 3dl3 s ALA 90 Ca 0.52 0.73 -0.01 0.00 0.00 0.00 0.00 51.96 53.20 3dl3 s ALA 90 Cb 0.42 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 20.20 3dl3 s ALA 90 CO 0.12 -0.25 -0.00 -1.14 0.00 0.00 0.00 175.76 174.49 3dl3 s GLN 91 N 0.39 0.59 0.30 0.00 0.74 0.12 -4.04 119.66 117.76 3dl3 s GLN 91 Ca 0.52 0.10 -0.09 0.00 0.05 0.00 0.00 55.36 55.94 3dl3 s GLN 91 Cb -0.27 -0.92 0.00 0.00 1.10 0.00 0.00 33.01 32.93 3dl3 s GLN 91 CO 0.31 -0.28 0.51 -0.59 -0.55 0.00 0.00 175.29 174.69 3dl3 s PHE 92 N 1.84 0.61 0.25 1.67 -0.12 -1.07 -2.50 117.98 118.66 3dl3 s PHE 92 Ca 0.03 -0.96 -0.07 0.00 -0.05 0.00 0.00 56.93 55.88 3dl3 s PHE 92 Cb -0.12 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.40 3dl3 s PHE 92 CO -0.05 -1.11 0.37 0.54 -0.05 0.00 0.00 175.22 174.92 3dl3 s ASN 93 N -3.11 0.21 -0.04 1.98 4.22 -0.61 -0.79 114.94 116.80 3dl3 s ASN 93 Ca 0.25 -1.20 0.01 0.00 -2.14 0.00 0.00 52.86 49.79 3dl3 s ASN 93 Cb -0.01 0.54 0.02 0.00 1.28 0.00 0.00 41.25 43.07 3dl3 s ASN 93 CO 0.13 -1.08 -0.06 -0.63 -2.04 0.00 0.00 177.10 173.43 3dl3 s ILE 94 N -3.87 0.60 -0.14 0.54 1.01 -1.26 -1.83 121.20 116.26 3dl3 s ILE 94 Ca 0.30 -0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 3dl3 s ILE 94 Cb 0.02 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.86 3dl3 s ILE 94 CO 0.13 0.23 -0.04 0.20 0.00 0.00 0.00 174.94 175.45 3dl3 s ASN 95 N 0.70 4.79 -0.26 3.58 0.01 -0.24 -1.44 114.94 122.08 3dl3 s ASN 95 Ca -0.10 -0.11 -0.10 0.00 -0.71 0.00 0.00 52.86 51.84 3dl3 s ASN 95 Cb -0.13 -1.72 -0.04 0.00 0.41 0.00 0.00 41.25 39.77 3dl3 s ASN 95 CO 0.01 0.20 0.15 -0.36 -1.51 0.00 0.00 177.10 175.58 3dl3 s PHE 96 N 0.20 3.21 0.04 2.20 0.08 0.72 -0.73 117.98 123.70 3dl3 s PHE 96 Ca -0.02 0.02 -0.00 0.00 0.12 0.00 0.00 56.93 57.05 3dl3 s PHE 96 Cb -0.14 -2.31 -0.04 0.00 -0.57 0.00 0.00 43.02 39.96 3dl3 s PHE 96 CO 0.03 -0.14 0.16 -1.58 -0.10 0.00 0.00 175.22 173.58 3dl3 s TRP 97 N 1.52 3.43 0.26 0.36 0.52 0.19 -0.76 118.94 124.46 3dl3 s TRP 97 Ca 0.07 0.23 -0.21 0.00 0.02 0.00 0.00 56.10 56.21 3dl3 s TRP 97 Cb -0.15 -1.74 0.03 0.00 -1.15 0.00 0.00 33.47 30.46 3dl3 s TRP 97 CO 0.08 0.58 0.78 0.45 0.02 0.00 0.00 176.95 178.86 3dl3 s SER 98 N -2.25 -0.22 0.00 2.95 0.15 -0.98 -0.69 113.70 112.67 3dl3 s SER 98 Ca 0.30 -0.62 0.27 0.00 0.70 0.00 0.00 55.95 56.60 3dl3 s SER 98 Cb -0.13 0.69 0.91 0.00 -1.71 0.00 0.00 66.02 65.78 3dl3 s SER 98 CO 0.23 -1.29 1.66 -0.67 1.20 0.00 0.00 173.24 174.37