#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iz3 s TYR 3 N -0.39 1.05 0.29 0.00 -0.85 -0.97 -4.96 117.35 111.52 2iz3 s TYR 3 Ca 0.00 -0.21 -0.07 0.00 -0.52 0.00 0.00 57.07 56.27 2iz3 s TYR 3 Cb 0.00 -0.69 -0.06 0.00 0.38 0.00 0.00 41.96 41.59 2iz3 s TYR 3 CO 0.00 -0.04 0.58 -0.06 -1.52 0.00 0.00 175.55 174.51 2iz3 s PHE 4 N -0.17 3.47 -0.12 -3.49 0.08 -1.26 -3.06 117.98 113.42 2iz3 s PHE 4 Ca 0.03 0.75 0.01 0.00 0.12 0.00 0.00 56.93 57.83 2iz3 s PHE 4 Cb -0.05 -2.18 0.02 0.00 -0.57 0.00 0.00 43.02 40.23 2iz3 s PHE 4 CO -0.00 0.15 -0.14 0.42 -0.10 0.00 0.00 175.22 175.55 2iz3 s ILE 5 N -2.07 1.44 0.09 0.64 1.01 0.44 -4.96 121.20 117.79 2iz3 s ILE 5 Ca 0.46 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 2iz3 s ILE 5 Cb -0.11 -1.34 -0.06 0.00 0.01 0.00 0.00 42.46 40.96 2iz3 s ILE 5 CO 0.28 0.43 1.18 -2.16 0.00 0.00 0.00 174.94 174.67 2iz3 s PRO 6 N 1.23 4.47 -0.22 2.79 0.04 -1.26 -0.95 135.00 141.09 2iz3 s PRO 6 Ca -0.02 1.76 -0.08 0.00 0.04 0.00 0.00 61.00 62.71 2iz3 s PRO 6 Cb -0.14 -3.33 -0.09 0.00 0.04 0.00 0.00 34.50 30.98 2iz3 s PRO 6 CO -0.05 -0.18 1.37 0.09 0.04 0.00 0.00 177.00 178.27 2iz3 n ASN 7 N 3.54 1.26 0.00 6.66 5.03 -0.95 -1.65 115.26 129.14 2iz3 n ASN 7 Ca 0.07 -2.19 0.00 0.00 0.87 0.00 0.00 54.58 53.33 2iz3 n ASN 7 Cb 0.46 -0.65 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 2iz3 n ASN 7 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2iz3 n GLU 8 N 5.53 0.00 -0.60 3.52 2.13 -1.26 -4.92 120.64 125.04 2iz3 n GLU 8 Ca 0.20 0.00 0.02 0.00 0.66 0.00 0.00 57.16 58.04 2iz3 n GLU 8 Cb 0.13 0.00 0.21 0.00 0.27 0.00 0.00 31.44 32.04 2iz3 n GLU 8 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2iz3 n GLY 9 N -1.41 4.72 3.70 8.31 0.00 -0.66 -5.02 105.19 114.84 2iz3 n GLY 9 Ca 0.00 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 2iz3 n GLY 9 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2iz3 n VAL 10 N -1.02 4.59 0.33 1.61 0.24 -1.20 -4.88 118.33 118.00 2iz3 n VAL 10 Ca 0.26 -0.50 0.15 0.00 -2.04 0.00 0.00 64.34 62.21 2iz3 n VAL 10 Cb 0.91 -1.43 0.63 0.00 -1.47 0.00 0.00 33.84 32.48 2iz3 n VAL 10 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2iz3 h PRO 11 N 0.60 0.00 -2.08 7.34 0.13 -1.96 -3.29 132.00 132.75 2iz3 h PRO 11 Ca -0.50 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.08 2iz3 h PRO 11 Cb 1.34 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.07 2iz3 h PRO 11 CO 0.53 0.00 -0.98 0.41 -0.23 0.00 0.00 178.00 177.72 2iz3 n GLY 12 N -0.12 3.86 1.82 1.56 0.00 -1.26 -4.96 105.19 106.09 2iz3 n GLY 12 Ca 0.01 -1.99 -0.02 0.00 0.00 0.00 0.00 46.02 44.02 2iz3 n GLY 12 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2iz3 n ASP 13 N 0.68 3.11 -0.18 1.61 5.68 -1.24 -4.31 116.55 121.91 2iz3 n ASP 13 Ca 0.25 -1.88 -0.07 0.00 -0.50 0.00 0.00 54.79 52.59 2iz3 n ASP 13 Cb 0.53 -0.70 0.02 0.00 -1.14 0.00 0.00 41.12 39.83 2iz3 n ASP 13 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 2iz3 h SER 14 N 2.71 0.65 -0.02 -1.12 0.87 -1.94 -3.06 113.55 111.66 2iz3 h SER 14 Ca 0.03 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2iz3 h SER 14 Cb 0.66 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2iz3 h SER 14 CO 0.08 0.56 -0.19 0.35 -0.53 0.00 0.00 176.83 177.10 2iz3 n THR 15 N -4.63 0.00 -0.25 2.23 -2.24 -1.26 -4.95 114.28 103.18 2iz3 n THR 15 Ca 0.02 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2iz3 n THR 15 Cb 0.09 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 2iz3 n THR 15 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2iz3 n ARG 16 N 0.39 0.00 0.00 -0.78 0.63 -1.16 -4.79 116.66 110.95 2iz3 n ARG 16 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 2iz3 n ARG 16 Cb 0.39 -3.58 0.00 0.00 0.45 0.00 0.00 32.46 29.72 2iz3 n ARG 16 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2iz3 n LYS 17 N -2.00 0.00 -3.43 -0.14 5.02 -1.26 -4.74 118.16 111.61 2iz3 n LYS 17 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 2iz3 n LYS 17 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 2iz3 n LYS 17 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2iz3 s MET 19 N 2.39 0.32 0.77 0.00 1.75 -1.26 -4.43 119.30 118.83 2iz3 s MET 19 Ca 0.09 -0.42 -0.10 0.00 -1.25 0.00 0.00 55.69 54.01 2iz3 s MET 19 Cb -0.15 -0.12 0.08 0.00 2.84 0.00 0.00 34.83 37.47 2iz3 s MET 19 CO -0.19 0.02 1.12 0.34 -0.65 0.00 0.00 175.02 175.65 2iz3 s ASP 20 N -0.89 4.59 0.48 1.11 2.15 -1.19 -4.96 116.67 117.96 2iz3 s ASP 20 Ca -0.07 0.62 0.22 0.00 0.43 0.00 0.00 52.55 53.76 2iz3 s ASP 20 Cb -0.06 -1.16 1.24 0.00 -0.30 0.00 0.00 42.92 42.63 2iz3 s ASP 20 CO -0.00 -1.81 2.01 0.25 -0.17 0.00 0.00 175.17 175.45 2iz3 h LEU 21 N -0.89 0.00 -0.80 -1.34 5.85 -2.01 -2.50 115.31 113.62 2iz3 h LEU 21 Ca -0.45 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.17 2iz3 h LEU 21 Cb 1.32 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 2iz3 h LEU 21 CO 0.63 0.17 -0.10 0.50 -0.34 0.00 0.00 178.44 179.30 2iz3 h LYS 22 N 0.00 0.80 0.00 1.25 1.63 -2.00 -3.46 116.57 114.79 2iz3 h LYS 22 Ca -0.00 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 2iz3 h LYS 22 Cb 0.39 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2iz3 h LYS 22 CO 0.02 0.87 0.00 0.41 -3.45 0.00 0.00 179.45 177.30 2iz3 n GLY 23 N -0.45 1.45 3.80 5.01 0.00 -0.94 -5.11 105.19 108.95 2iz3 n GLY 23 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2iz3 n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iz3 s ASN 24 N -2.00 7.13 0.11 1.61 6.03 -1.26 -4.92 114.94 121.63 2iz3 s ASN 24 Ca 0.00 1.33 -0.04 0.00 -1.03 0.00 0.00 52.86 53.12 2iz3 s ASN 24 Cb 0.00 -2.39 -0.05 0.00 -3.03 0.00 0.00 41.25 35.78 2iz3 s ASN 24 CO 0.00 0.26 0.33 -0.75 -2.03 0.00 0.00 177.10 174.92 2iz3 s LYS 25 N -1.11 3.59 -0.29 3.55 2.20 -1.26 -3.17 119.74 123.25 2iz3 s LYS 25 Ca 0.30 -0.14 -0.00 0.00 -0.36 0.00 0.00 55.97 55.77 2iz3 s LYS 25 Cb -0.20 -2.92 0.14 0.00 -1.51 0.00 0.00 37.83 33.34 2iz3 s LYS 25 CO 0.20 0.52 0.32 -3.38 -0.36 0.00 0.00 175.35 172.65 2iz3 s HIS 26 N -1.58 -0.59 0.67 4.03 -3.43 -1.26 -5.06 115.29 108.07 2iz3 s HIS 26 Ca 0.38 -0.02 -0.08 0.00 -0.80 0.00 0.00 55.06 54.54 2iz3 s HIS 26 Cb -0.12 -0.38 0.12 0.00 -1.43 0.00 0.00 32.58 30.77 2iz3 s HIS 26 CO 0.24 -0.92 0.27 -2.30 -2.00 0.00 0.00 174.74 170.03 2iz3 n PRO 27 N 5.32 -0.60 -2.18 -0.38 -0.02 -1.26 -4.70 135.00 131.18 2iz3 n PRO 27 Ca -0.02 -0.45 -0.37 0.00 -2.02 0.00 0.00 63.50 60.64 2iz3 n PRO 27 Cb 0.47 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 2iz3 n PRO 27 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2iz3 s ILE 28 N -1.60 2.94 0.00 4.25 -1.09 -1.26 -2.36 121.20 122.08 2iz3 s ILE 28 Ca 0.21 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.31 2iz3 s ILE 28 Cb -0.04 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 2iz3 s ILE 28 CO 0.17 -0.03 0.00 -3.20 -1.23 0.00 0.00 174.94 170.65 2iz3 n ASN 29 N -0.73 0.00 -4.79 3.58 2.85 -1.08 -4.98 115.26 110.11 2iz3 n ASN 29 Ca 0.09 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.18 2iz3 n ASN 29 Cb 0.48 -0.56 -0.06 0.00 1.24 0.00 0.00 39.78 40.87 2iz3 n ASN 29 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2iz3 s SER 30 N -3.03 6.68 0.07 1.20 0.15 -1.00 -5.00 113.70 112.77 2iz3 s SER 30 Ca 0.00 0.80 0.08 0.00 0.70 0.00 0.00 55.95 57.53 2iz3 s SER 30 Cb 0.00 -2.24 -0.03 0.00 -1.71 0.00 0.00 66.02 62.04 2iz3 s SER 30 CO 0.00 0.20 -0.19 -1.61 1.20 0.00 0.00 173.24 172.84 2iz3 s GLU 31 N -0.31 1.95 -0.01 5.44 2.02 -1.26 -3.35 118.70 123.19 2iz3 s GLU 31 Ca 0.22 -1.06 0.02 0.00 0.02 0.00 0.00 54.97 54.17 2iz3 s GLU 31 Cb -0.15 -2.15 -0.00 0.00 0.10 0.00 0.00 34.13 31.92 2iz3 s GLU 31 CO 0.10 0.52 -0.07 1.67 0.02 0.00 0.00 175.26 177.50 2iz3 s TRP 32 N -1.00 0.66 0.14 1.61 -2.14 -0.91 -5.05 118.94 112.26 2iz3 s TRP 32 Ca 0.16 -0.13 -0.24 0.00 2.66 0.00 0.00 56.10 58.54 2iz3 s TRP 32 Cb -0.10 -0.44 -0.08 0.00 -3.10 0.00 0.00 33.47 29.75 2iz3 s TRP 32 CO 0.07 -0.02 0.74 -0.65 -2.66 0.00 0.00 176.95 174.42 2iz3 s GLN 33 N -0.09 4.50 0.03 3.25 -0.21 -1.26 -2.21 119.66 123.68 2iz3 s GLN 33 Ca 0.02 1.08 -0.01 0.00 0.02 0.00 0.00 55.36 56.46 2iz3 s GLN 33 Cb -0.04 -3.27 -0.03 0.00 1.00 0.00 0.00 33.01 30.68 2iz3 s GLN 33 CO -0.00 0.56 -0.01 -0.08 -2.12 0.00 0.00 175.29 173.63 2iz3 s THR 34 N -1.04 0.16 0.37 -0.19 -1.32 0.22 -4.96 115.64 108.88 2iz3 s THR 34 Ca 0.35 -1.28 0.00 0.00 -1.21 0.00 0.00 61.69 59.55 2iz3 s THR 34 Cb -0.22 -0.84 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 2iz3 s THR 34 CO 0.25 -0.71 0.00 0.47 -2.21 0.00 0.00 174.62 172.42 2iz3 n ASP 35 N 0.90 -8.39 0.09 8.08 8.00 -1.26 -1.09 116.55 122.88 2iz3 n ASP 35 Ca -0.19 0.69 0.04 0.00 0.71 0.00 0.00 54.79 56.04 2iz3 n ASP 35 Cb 0.58 -4.34 0.47 0.00 -0.02 0.00 0.00 41.12 37.80 2iz3 n ASP 35 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2iz3 h ASN 36 N -1.32 0.31 -0.72 -2.24 7.08 -1.99 -3.36 115.58 113.33 2iz3 h ASN 36 Ca -0.00 -0.02 -0.21 0.00 -3.08 0.00 0.00 56.30 52.98 2iz3 h ASN 36 Cb 1.30 -0.08 -0.17 0.00 -2.08 0.00 0.00 38.32 37.29 2iz3 h ASN 36 CO 0.02 0.27 -0.54 0.00 -2.08 0.00 0.00 177.43 175.11 2iz3 s GLU 38 N 0.69 0.73 -0.04 0.00 2.12 -0.25 -3.63 118.70 118.32 2iz3 s GLU 38 Ca 0.31 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.58 2iz3 s GLU 38 Cb 0.10 0.32 0.03 0.00 0.26 0.00 0.00 34.13 34.83 2iz3 s GLU 38 CO -0.14 -0.10 -0.01 0.99 -0.54 0.00 0.00 175.26 175.47 2iz3 s THR 39 N 0.57 0.27 0.21 -1.70 2.01 -0.17 0.71 115.64 117.55 2iz3 s THR 39 Ca -0.02 0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.13 2iz3 s THR 39 Cb -0.05 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 2iz3 s THR 39 CO -0.03 0.18 -0.04 0.00 -0.69 0.00 0.00 174.62 174.04 2iz3 s THR 41 N -1.97 1.16 -0.27 0.00 2.01 -0.37 -2.13 115.64 114.07 2iz3 s THR 41 Ca 0.28 -1.21 -0.06 0.00 0.31 0.00 0.00 61.69 61.01 2iz3 s THR 41 Cb -0.08 -1.09 -0.00 0.00 0.01 0.00 0.00 72.50 71.35 2iz3 s THR 41 CO 0.18 -0.12 0.05 0.00 -0.69 0.00 0.00 174.62 174.03 2iz3 n TYR 43 N 4.86 -0.55 -0.16 0.00 4.01 0.02 -2.63 117.16 122.71 2iz3 n TYR 43 Ca -0.16 -2.36 -0.09 0.00 -0.16 0.00 0.00 57.90 55.13 2iz3 n TYR 43 Cb 0.49 -0.45 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 2iz3 n TYR 43 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2iz3 h GLU 44 N 0.00 -0.26 -0.07 -0.72 5.08 -1.99 -3.31 114.58 113.31 2iz3 h GLU 44 Ca -0.35 0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 57.83 2iz3 h GLU 44 Cb 1.29 0.06 -0.39 0.00 0.50 0.00 0.00 28.75 30.21 2iz3 h GLU 44 CO 0.56 -0.17 -1.04 -2.37 -1.00 0.00 0.00 179.01 174.98 2iz3 n THR 45 N -5.41 0.21 -3.69 1.13 5.66 -1.26 -5.01 114.28 105.91 2iz3 n THR 45 Ca 0.01 -1.30 -0.15 0.00 -3.05 0.00 0.00 64.05 59.56 2iz3 n THR 45 Cb 0.35 1.04 -0.08 0.00 -1.55 0.00 0.00 70.33 70.09 2iz3 n THR 45 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2iz3 s GLU 46 N -0.63 0.76 -0.11 1.09 2.02 -1.25 -2.24 118.70 118.34 2iz3 s GLU 46 Ca 0.32 0.04 0.02 0.00 0.02 0.00 0.00 54.97 55.37 2iz3 s GLU 46 Cb 0.37 0.35 0.01 0.00 0.10 0.00 0.00 34.13 34.96 2iz3 s GLU 46 CO -0.15 -0.21 -0.17 0.42 0.02 0.00 0.00 175.26 175.17 2iz3 s ILE 47 N -1.10 1.67 0.20 -1.63 1.01 -0.13 -0.80 121.20 120.43 2iz3 s ILE 47 Ca -0.11 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 2iz3 s ILE 47 Cb -0.04 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 2iz3 s ILE 47 CO 0.05 0.47 0.45 -0.94 0.00 0.00 0.00 174.94 174.97 2iz3 s SER 48 N 0.88 6.47 -0.27 3.58 1.04 -0.92 -0.42 113.70 124.05 2iz3 s SER 48 Ca -0.08 0.61 -0.03 0.00 0.48 0.00 0.00 55.95 56.94 2iz3 s SER 48 Cb -0.15 -2.10 0.16 0.00 0.10 0.00 0.00 66.02 64.02 2iz3 s SER 48 CO -0.01 -0.05 0.51 0.00 0.98 0.00 0.00 173.24 174.67 2iz3 n THR 51 N 2.54 1.81 -0.92 0.00 5.66 -1.26 -1.00 114.28 121.11 2iz3 n THR 51 Ca -0.18 -0.91 0.00 0.00 -3.05 0.00 0.00 64.05 59.91 2iz3 n THR 51 Cb 0.53 -0.42 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 2iz3 n THR 51 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2iz3 n LEU 52 N 0.22 0.00 -4.28 1.09 4.77 -1.24 -4.57 117.00 112.99 2iz3 n LEU 52 Ca 0.21 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.94 2iz3 n LEU 52 Cb 0.90 -0.47 -0.13 0.00 -2.33 0.00 0.00 43.42 41.39 2iz3 n LEU 52 CO 0.23 0.00 -0.52 -0.69 -1.33 0.00 0.00 177.39 175.08 2iz3 s VAL 53 N -0.92 1.72 0.21 4.08 1.01 -1.26 -4.73 120.40 120.52 2iz3 s VAL 53 Ca 0.00 -1.47 0.04 0.00 0.00 0.00 0.00 61.98 60.55 2iz3 s VAL 53 Cb 0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 2iz3 s VAL 53 CO 0.00 0.01 0.31 -0.44 0.00 0.00 0.00 175.10 174.98 2iz3 s SER 54 N -1.75 6.22 -0.14 3.32 0.01 -1.26 -4.89 113.70 115.21 2iz3 s SER 54 Ca 0.07 0.06 -0.04 0.00 1.31 0.00 0.00 55.95 57.35 2iz3 s SER 54 Cb -0.10 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 2iz3 s SER 54 CO 0.04 -0.03 0.00 -0.89 0.41 0.00 0.00 173.24 172.77 2iz3 s THR 55 N -1.91 4.27 -0.03 1.44 2.01 -0.95 -4.03 115.64 116.44 2iz3 s THR 55 Ca 0.34 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.81 2iz3 s THR 55 Cb -0.10 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 2iz3 s THR 55 CO 0.28 0.52 1.04 -2.16 -0.69 0.00 0.00 174.62 173.61 2iz3 s PRO 56 N -0.00 4.47 -0.02 4.92 0.04 -1.26 -2.24 135.00 140.91 2iz3 s PRO 56 Ca 0.03 1.48 -0.08 0.00 0.04 0.00 0.00 61.00 62.47 2iz3 s PRO 56 Cb -0.13 -3.49 0.01 0.00 0.04 0.00 0.00 34.50 30.94 2iz3 s PRO 56 CO 0.02 -0.21 0.18 0.54 0.04 0.00 0.00 177.00 177.57 2iz3 s VAL 57 N 1.49 0.06 0.00 -0.36 0.11 -1.15 -4.92 120.40 115.63 2iz3 s VAL 57 Ca 0.52 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 2iz3 s VAL 57 Cb -0.22 -0.42 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 2iz3 s VAL 57 CO 0.24 -0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 2iz3 n GLY 58 N 1.79 0.64 3.42 6.54 0.00 -1.26 -2.94 105.19 113.38 2iz3 n GLY 58 Ca -0.20 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 2iz3 n GLY 58 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2iz3 s TYR 59 N -2.81 0.55 -0.82 1.61 1.13 -1.26 -1.85 117.35 113.89 2iz3 s TYR 59 Ca 0.00 -0.88 -0.25 0.00 -1.41 0.00 0.00 57.07 54.53 2iz3 s TYR 59 Cb 0.00 -0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.79 2iz3 s TYR 59 CO 0.00 -0.83 1.77 -0.51 -2.51 0.00 0.00 175.55 173.48 2iz3 s ASP 60 N -3.03 5.50 0.28 -0.18 1.01 -1.26 -4.80 116.67 114.18 2iz3 s ASP 60 Ca 0.24 -0.49 -0.02 0.00 0.71 0.00 0.00 52.55 52.99 2iz3 s ASP 60 Cb 0.02 -2.55 0.39 0.00 1.01 0.00 0.00 42.92 41.79 2iz3 s ASP 60 CO 0.07 -2.35 1.84 0.11 0.21 0.00 0.00 175.17 175.05 2iz3 h LYS 61 N 11.96 0.89 -0.12 8.23 1.57 -1.99 0.45 116.57 137.56 2iz3 h LYS 61 Ca -0.02 -0.16 -0.16 0.00 -1.87 0.00 0.00 60.65 58.44 2iz3 h LYS 61 Cb 1.05 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 33.23 2iz3 h LYS 61 CO 1.26 0.76 -0.54 0.22 -0.57 0.00 0.00 179.45 180.57 2iz3 h ASP 62 N 0.87 0.69 1.42 0.86 3.58 -2.02 -3.26 116.42 118.55 2iz3 h ASP 62 Ca 0.20 -0.63 -0.06 0.00 0.42 0.00 0.00 57.03 56.96 2iz3 h ASP 62 Cb 0.23 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2iz3 h ASP 62 CO -0.01 1.21 -0.31 0.78 -2.88 0.00 0.00 179.24 178.03 2iz3 h ASN 63 N 0.22 0.00 -4.29 2.28 -0.26 -1.94 -3.45 115.58 108.14 2iz3 h ASN 63 Ca -0.03 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.19 2iz3 h ASN 63 Cb 1.18 0.00 -0.27 0.00 -1.06 0.00 0.00 38.32 38.17 2iz3 h ASN 63 CO 0.11 0.31 -0.82 0.00 -1.06 0.00 0.00 177.43 175.97 2iz3 s GLN 65 N -0.82 2.46 -0.05 0.00 -2.07 -0.50 -4.34 119.66 114.33 2iz3 s GLN 65 Ca 0.05 -0.87 -0.24 0.00 -1.82 0.00 0.00 55.36 52.49 2iz3 s GLN 65 Cb -0.07 -2.49 -0.04 0.00 -1.09 0.00 0.00 33.01 29.32 2iz3 s GLN 65 CO 0.01 0.54 0.73 1.03 -1.32 0.00 0.00 175.29 176.27 2iz3 s ARG 66 N -2.21 4.45 -0.13 9.60 0.52 -1.26 -2.02 118.95 127.90 2iz3 s ARG 66 Ca 0.24 0.94 0.00 0.00 -0.52 0.00 0.00 55.73 56.39 2iz3 s ARG 66 Cb -0.12 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 31.90 2iz3 s ARG 66 CO 0.16 0.06 -0.14 0.42 0.02 0.00 0.00 175.30 175.83 2iz3 s ILE 67 N 0.78 2.99 -0.31 1.52 -1.09 -0.01 -4.96 121.20 120.12 2iz3 s ILE 67 Ca 0.39 -0.68 -0.17 0.00 -2.23 0.00 0.00 60.65 57.96 2iz3 s ILE 67 Cb -0.18 -2.25 -0.02 0.00 -1.58 0.00 0.00 42.46 38.43 2iz3 s ILE 67 CO 0.19 0.53 0.45 0.12 -1.23 0.00 0.00 174.94 175.00 2iz3 s PHE 68 N 0.36 3.21 -0.31 3.97 5.36 -1.26 -2.24 117.98 127.07 2iz3 s PHE 68 Ca -0.11 0.28 0.01 0.00 -0.96 0.00 0.00 56.93 56.15 2iz3 s PHE 68 Cb -0.16 -2.76 0.07 0.00 -0.34 0.00 0.00 43.02 39.83 2iz3 s PHE 68 CO 0.06 -0.40 -0.00 0.15 -1.46 0.00 0.00 175.22 173.56 2iz3 s LYS 69 N 2.24 2.09 0.17 10.12 3.01 -1.16 -4.99 119.74 131.23 2iz3 s LYS 69 Ca 0.17 -1.50 -0.11 0.00 -1.01 0.00 0.00 55.97 53.52 2iz3 s LYS 69 Cb -0.16 -3.13 0.07 0.00 -1.01 0.00 0.00 37.83 33.60 2iz3 s LYS 69 CO 0.11 -0.73 1.67 0.87 0.51 0.00 0.00 175.35 177.79 2iz3 h LYS 70 N 7.84 0.98 -0.07 1.68 1.57 -1.97 0.57 116.57 127.17 2iz3 h LYS 70 Ca -0.15 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.40 2iz3 h LYS 70 Cb 1.04 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 2iz3 h LYS 70 CO 0.52 0.91 0.06 1.49 -0.57 0.00 0.00 179.45 181.87 2iz3 h GLU 71 N 0.89 0.00 -0.07 3.15 4.81 -1.95 -1.38 114.58 120.02 2iz3 h GLU 71 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2iz3 h GLU 71 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2iz3 h GLU 71 CO 0.01 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.04 2iz3 n ASP 72 N -4.08 2.03 -3.97 1.04 8.00 -1.08 -5.02 116.55 113.47 2iz3 n ASP 72 Ca -0.01 -1.53 -0.39 0.00 0.71 0.00 0.00 54.79 53.57 2iz3 n ASP 72 Cb 0.16 -0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.24 2iz3 n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2iz3 s LYS 74 N -6.60 0.67 -0.16 0.00 -2.85 -1.14 -4.51 119.74 105.15 2iz3 s LYS 74 Ca 0.33 -0.20 -0.07 0.00 -1.00 0.00 0.00 55.97 55.03 2iz3 s LYS 74 Cb -0.18 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 35.85 2iz3 s LYS 74 CO 0.90 -0.28 0.06 0.71 0.10 0.00 0.00 175.35 176.84 2iz3 s TYR 75 N -2.70 3.28 -0.06 1.78 2.02 -1.26 -2.98 117.35 117.43 2iz3 s TYR 75 Ca 0.05 0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.92 2iz3 s TYR 75 Cb -0.01 -2.03 0.00 0.00 -0.40 0.00 0.00 41.96 39.52 2iz3 s TYR 75 CO -0.07 0.25 -0.16 0.96 -1.57 0.00 0.00 175.55 174.96 2iz3 s ILE 76 N 0.07 1.43 -0.19 2.71 -4.36 -0.95 -4.79 121.20 115.12 2iz3 s ILE 76 Ca 0.05 -0.67 -0.12 0.00 -0.26 0.00 0.00 60.65 59.65 2iz3 s ILE 76 Cb -0.12 -1.26 -0.05 0.00 1.25 0.00 0.00 42.46 42.28 2iz3 s ILE 76 CO 0.01 0.42 0.20 0.68 0.24 0.00 0.00 174.94 176.48 2iz3 s VAL 77 N 0.38 5.36 0.03 8.37 -7.23 -1.26 -0.83 120.40 125.22 2iz3 s VAL 77 Ca -0.12 0.34 0.05 0.00 -1.81 0.00 0.00 61.98 60.44 2iz3 s VAL 77 Cb -0.15 -3.54 -0.02 0.00 0.56 0.00 0.00 36.38 33.23 2iz3 s VAL 77 CO 0.04 0.41 -0.14 0.54 -0.31 0.00 0.00 175.10 175.64 2iz3 s VAL 78 N 0.49 1.13 0.83 1.32 0.11 -0.86 -0.61 120.40 122.81 2iz3 s VAL 78 Ca 0.11 -0.93 -0.14 0.00 -2.93 0.00 0.00 61.98 58.09 2iz3 s VAL 78 Cb -0.12 -1.01 0.04 0.00 -1.53 0.00 0.00 36.38 33.76 2iz3 s VAL 78 CO 0.01 0.07 0.80 -0.62 -3.33 0.00 0.00 175.10 172.02 2iz3 n GLU 79 N 2.05 0.06 0.02 1.54 1.02 -1.25 -1.41 120.64 122.66 2iz3 n GLU 79 Ca -0.17 0.08 0.12 0.00 -0.02 0.00 0.00 57.16 57.17 2iz3 n GLU 79 Cb 0.55 -2.11 0.19 0.00 -0.02 0.00 0.00 31.44 30.05 2iz3 n GLU 79 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2iz3 n LYS 80 N -2.18 0.09 -0.11 3.49 5.02 -0.21 -3.98 118.16 120.27 2iz3 n LYS 80 Ca 0.11 0.02 -0.25 0.00 -2.02 0.00 0.00 58.31 56.17 2iz3 n LYS 80 Cb 0.51 -1.55 -0.11 0.00 -0.02 0.00 0.00 35.03 33.86 2iz3 n LYS 80 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2iz3 n LYS 81 N -1.68 0.61 -3.92 1.97 5.02 -1.26 -4.80 118.16 114.10 2iz3 n LYS 81 Ca 0.05 0.36 -0.30 0.00 -2.02 0.00 0.00 58.31 56.40 2iz3 n LYS 81 Cb 0.37 -1.61 -0.14 0.00 -0.02 0.00 0.00 35.03 33.63 2iz3 n LYS 81 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2iz3 s ASP 82 N -7.10 4.33 0.63 4.39 -1.08 -1.26 -4.95 116.67 111.64 2iz3 s ASP 82 Ca -0.33 -3.14 0.38 0.00 -0.52 0.00 0.00 52.55 48.94 2iz3 s ASP 82 Cb 0.10 -1.59 2.16 0.00 -1.46 0.00 0.00 42.92 42.13 2iz3 s ASP 82 CO 0.57 -0.21 2.32 -0.65 0.52 0.00 0.00 175.17 177.73 2iz3 h PRO 83 N 6.31 0.00 -0.49 4.34 0.11 -1.87 -2.26 132.00 138.14 2iz3 h PRO 83 Ca -0.03 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 2iz3 h PRO 83 Cb 0.87 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 2iz3 h PRO 83 CO 0.68 0.00 0.08 0.87 -0.21 0.00 0.00 178.00 179.42 2iz3 h LYS 84 N 0.00 0.82 -6.30 1.05 1.79 -1.92 -3.43 116.57 108.58 2iz3 h LYS 84 Ca -0.00 -0.22 -0.55 0.00 -2.18 0.00 0.00 60.65 57.70 2iz3 h LYS 84 Cb 0.00 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.52 2iz3 h LYS 84 CO 0.00 0.82 0.07 0.21 -1.08 0.00 0.00 179.45 179.47 2iz3 s LYS 85 N -5.19 4.40 0.63 3.15 2.20 -0.85 -5.07 119.74 119.01 2iz3 s LYS 85 Ca -0.13 0.93 -0.07 0.00 -0.36 0.00 0.00 55.97 56.35 2iz3 s LYS 85 Cb 0.11 -3.29 0.02 0.00 -1.51 0.00 0.00 37.83 33.16 2iz3 s LYS 85 CO 0.80 0.49 0.95 0.95 -0.36 0.00 0.00 175.35 178.18 2iz3 s THR 86 N -0.71 3.24 -0.08 3.43 -4.23 -1.26 -3.80 115.64 112.23 2iz3 s THR 86 Ca 0.33 -0.04 -0.03 0.00 -1.18 0.00 0.00 61.69 60.78 2iz3 s THR 86 Cb -0.21 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.27 2iz3 s THR 86 CO 0.22 -0.35 0.05 0.00 -0.54 0.00 0.00 174.62 174.00 2iz3 s SER 88 N -1.03 6.69 -0.03 0.00 0.01 -1.26 -4.72 113.70 113.36 2iz3 s SER 88 Ca 0.15 1.76 0.02 0.00 1.31 0.00 0.00 55.95 59.19 2iz3 s SER 88 Cb -0.12 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.58 2iz3 s SER 88 CO 0.04 -0.54 -0.07 -0.69 0.41 0.00 0.00 173.24 172.39 2iz3 s VAL 89 N -2.17 0.65 0.30 3.43 1.01 -1.26 -4.64 120.40 117.72 2iz3 s VAL 89 Ca 0.63 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2iz3 s VAL 89 Cb -0.12 -0.60 0.17 0.00 0.00 0.00 0.00 36.38 35.83 2iz3 s VAL 89 CO 0.18 0.22 1.86 0.28 0.00 0.00 0.00 175.10 177.63 2iz3 h SER 90 N 6.52 0.71 -5.52 3.32 0.02 -1.39 -3.47 113.55 113.74 2iz3 h SER 90 Ca -0.34 -0.11 0.25 0.00 -0.84 0.00 0.00 61.79 60.74 2iz3 h SER 90 Cb 1.17 -0.19 -0.10 0.00 0.14 0.00 0.00 62.40 63.43 2iz3 h SER 90 CO 0.49 0.69 0.64 -1.83 -1.14 0.00 0.00 176.83 175.68 2iz3 s GLU 91 N -5.22 0.83 0.09 3.45 -1.05 -1.15 -5.06 118.70 110.58 2iz3 s GLU 91 Ca -0.09 -0.46 0.08 0.00 -0.15 0.00 0.00 54.97 54.35 2iz3 s GLU 91 Cb 0.16 0.28 -0.03 0.00 -0.44 0.00 0.00 34.13 34.10 2iz3 s GLU 91 CO 0.79 -0.38 -0.21 -1.58 0.95 0.00 0.00 175.26 174.84 2iz3 s TRP 92 N -2.89 1.77 -0.24 4.83 0.52 -1.26 -2.92 118.94 118.75 2iz3 s TRP 92 Ca 0.13 -0.41 -0.09 0.00 0.02 0.00 0.00 56.10 55.76 2iz3 s TRP 92 Cb 0.01 -0.99 -0.04 0.00 -1.15 0.00 0.00 33.47 31.31 2iz3 s TRP 92 CO -0.01 0.17 0.11 0.42 0.02 0.00 0.00 176.95 177.67 2iz3 s ILE 93 N -1.08 4.82 0.00 2.03 1.01 -0.95 -4.92 121.20 122.11 2iz3 s ILE 93 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2iz3 s ILE 93 Cb -0.10 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2iz3 s ILE 93 CO 0.04 0.35 0.00 0.00 0.00 0.00 0.00 174.94 175.33