#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 -1.12 0.11 0.08 0.00 -0.85 -0.74 -5.00 117.35 109.83 2iz3 s TYR 3 Ca 0.20 -0.29 -0.08 0.00 -0.52 0.00 0.00 57.07 56.38 2iz3 s TYR 3 Cb -0.12 -0.08 -0.06 0.00 0.38 0.00 0.00 41.96 42.08 2iz3 s TYR 3 CO 0.10 -0.32 0.37 -0.06 -1.52 0.00 0.00 175.55 174.13 2iz3 s PHE 4 N -1.88 3.55 -0.09 -3.49 0.40 -1.26 -2.44 117.98 112.77 2iz3 s PHE 4 Ca -0.11 0.70 0.03 0.00 -0.60 0.00 0.00 56.93 56.94 2iz3 s PHE 4 Cb -0.05 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.37 2iz3 s PHE 4 CO -0.01 0.51 -0.18 0.42 0.70 0.00 0.00 175.22 176.66 2iz3 s ILE 5 N -1.45 2.67 -0.12 0.64 1.01 0.15 -4.98 121.20 119.11 2iz3 s ILE 5 Ca 0.34 -0.82 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 2iz3 s ILE 5 Cb -0.13 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 2iz3 s ILE 5 CO 0.19 0.55 1.32 -2.16 0.00 0.00 0.00 174.94 174.84 2iz3 s PRO 6 N 0.01 4.24 0.53 2.79 0.04 -1.26 -1.02 135.00 140.33 2iz3 s PRO 6 Ca -0.06 1.75 0.34 0.00 0.04 0.00 0.00 61.00 63.07 2iz3 s PRO 6 Cb -0.15 -3.75 1.16 0.00 0.04 0.00 0.00 34.50 31.80 2iz3 s PRO 6 CO 0.05 -0.68 1.28 -1.71 0.04 0.00 0.00 177.00 175.97 2iz3 n ASN 7 N 6.41 0.00 0.20 6.66 5.15 -1.25 0.26 115.26 132.70 2iz3 n ASN 7 Ca 0.14 0.78 0.18 0.00 -0.60 0.00 0.00 54.58 55.08 2iz3 n ASN 7 Cb 0.45 -0.33 0.76 0.00 -0.53 0.00 0.00 39.78 40.13 2iz3 n ASN 7 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2iz3 h GLU 8 N 0.00 0.00 -3.17 1.20 4.81 -1.88 -3.18 114.58 112.36 2iz3 h GLU 8 Ca 0.63 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.84 2iz3 h GLU 8 Cb 3.00 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 32.27 2iz3 h GLU 8 CO -0.01 0.00 0.10 0.20 -0.73 0.00 0.00 179.01 178.57 2iz3 s GLY 9 N -3.82 -0.40 0.08 1.92 0.00 0.73 -4.73 107.32 101.11 2iz3 s GLY 9 Ca -0.04 0.16 -0.06 0.00 0.00 0.00 0.00 44.72 44.79 2iz3 s GLY 9 CO 0.42 -0.06 0.12 -1.34 0.00 0.00 0.00 173.10 172.23 2iz3 s VAL 10 N -3.80 0.16 -0.80 1.40 -7.23 -1.26 -4.25 120.40 104.62 2iz3 s VAL 10 Ca 0.04 -1.41 -0.10 0.00 -1.81 0.00 0.00 61.98 58.70 2iz3 s VAL 10 Cb -0.00 -1.43 -0.26 0.00 0.56 0.00 0.00 36.38 35.24 2iz3 s VAL 10 CO -0.10 -0.75 1.97 -2.65 -0.31 0.00 0.00 175.10 173.26 2iz3 n PRO 11 N -0.01 0.06 -3.90 4.82 -0.02 -1.26 -2.75 135.00 131.94 2iz3 n PRO 11 Ca -0.14 -0.13 -0.28 0.00 -2.02 0.00 0.00 63.50 60.92 2iz3 n PRO 11 Cb 0.62 -1.35 -0.01 0.00 -0.02 0.00 0.00 33.50 32.74 2iz3 n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iz3 n GLY 12 N 5.47 -0.42 1.81 -1.23 0.00 -1.26 -4.90 105.19 104.66 2iz3 n GLY 12 Ca 0.53 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.60 2iz3 n GLY 12 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2iz3 n ASP 13 N -1.24 -0.27 -0.05 1.61 2.03 -1.11 -5.06 116.55 112.46 2iz3 n ASP 13 Ca -0.11 -1.15 -0.04 0.00 0.52 0.00 0.00 54.79 54.01 2iz3 n ASP 13 Cb 0.39 -0.49 -0.01 0.00 -0.72 0.00 0.00 41.12 40.29 2iz3 n ASP 13 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2iz3 n SER 14 N -3.51 1.10 -1.03 1.67 3.41 -1.26 -4.59 113.62 109.40 2iz3 n SER 14 Ca 0.08 0.32 0.11 0.00 -0.26 0.00 0.00 58.87 59.12 2iz3 n SER 14 Cb 0.28 -0.68 0.27 0.00 -0.26 0.00 0.00 64.21 63.82 2iz3 n SER 14 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2iz3 n THR 15 N -3.64 0.60 -4.28 6.66 -2.24 -1.26 -5.06 114.28 105.06 2iz3 n THR 15 Ca -0.06 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2iz3 n THR 15 Cb 0.23 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2iz3 n THR 15 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2iz3 n ARG 16 N 1.18 0.00 0.00 -0.78 1.74 -1.26 -4.91 116.66 112.63 2iz3 n ARG 16 Ca 0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 2iz3 n ARG 16 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 2iz3 n ARG 16 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2iz3 n LYS 17 N -0.64 0.00 -3.40 5.56 5.02 -1.20 -3.93 118.16 119.57 2iz3 n LYS 17 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 2iz3 n LYS 17 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 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 -1.15 0.23 0.76 0.00 0.00 -1.25 -4.39 119.30 113.49 2iz3 s MET 19 Ca 0.29 0.31 -0.09 0.00 0.00 0.00 0.00 55.69 56.20 2iz3 s MET 19 Cb -0.10 0.09 0.08 0.00 0.00 0.00 0.00 34.83 34.90 2iz3 s MET 19 CO -0.09 -0.04 1.09 0.16 0.00 0.00 0.00 175.02 176.14 2iz3 s ASP 20 N 0.24 4.57 0.47 1.11 -4.77 -1.15 -4.93 116.67 112.22 2iz3 s ASP 20 Ca -0.01 0.52 0.23 0.00 -3.30 0.00 0.00 52.55 49.98 2iz3 s ASP 20 Cb -0.03 -1.06 1.19 0.00 -1.09 0.00 0.00 42.92 41.93 2iz3 s ASP 20 CO -0.01 -1.79 1.98 -0.07 0.70 0.00 0.00 175.17 175.98 2iz3 h LEU 21 N -0.82 0.00 -0.82 2.11 -0.00 -1.96 -2.66 115.31 111.16 2iz3 h LEU 21 Ca -0.45 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.36 2iz3 h LEU 21 Cb 1.31 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.95 2iz3 h LEU 21 CO 0.60 0.19 0.06 0.11 -0.00 0.00 0.00 178.44 179.40 2iz3 h LYS 22 N 0.00 0.94 0.00 1.13 1.79 -2.00 -3.47 116.57 114.96 2iz3 h LYS 22 Ca -0.00 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 2iz3 h LYS 22 Cb 0.46 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2iz3 h LYS 22 CO 0.02 0.90 0.00 0.41 -1.08 0.00 0.00 179.45 179.70 2iz3 n GLY 23 N -0.63 1.45 3.76 3.86 0.00 -1.00 -5.11 105.19 107.52 2iz3 n GLY 23 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2iz3 n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2iz3 s ASN 24 N -2.00 6.12 0.44 1.61 0.02 -1.26 -4.93 114.94 114.94 2iz3 s ASN 24 Ca 0.00 0.28 -0.00 0.00 -1.02 0.00 0.00 52.86 52.12 2iz3 s ASN 24 Cb 0.00 -2.03 -0.01 0.00 0.02 0.00 0.00 41.25 39.23 2iz3 s ASN 24 CO 0.00 0.27 0.67 -0.54 0.02 0.00 0.00 177.10 177.52 2iz3 s LYS 25 N -0.19 3.16 -0.08 -0.60 1.02 -1.26 -2.93 119.74 118.86 2iz3 s LYS 25 Ca 0.10 -0.39 -0.11 0.00 0.02 0.00 0.00 55.97 55.59 2iz3 s LYS 25 Cb -0.12 -2.55 0.02 0.00 -0.52 0.00 0.00 37.83 34.67 2iz3 s LYS 25 CO 0.01 -0.22 0.28 -1.01 -0.92 0.00 0.00 175.35 173.49 2iz3 s HIS 26 N -2.55 -0.25 0.87 3.18 3.76 -1.26 -5.03 115.29 114.00 2iz3 s HIS 26 Ca 0.47 0.57 -0.12 0.00 -0.15 0.00 0.00 55.06 55.83 2iz3 s HIS 26 Cb -0.10 0.09 0.11 0.00 1.11 0.00 0.00 32.58 33.79 2iz3 s HIS 26 CO 0.38 -0.23 1.11 -1.25 -0.85 0.00 0.00 174.74 173.90 2iz3 s PRO 27 N -0.37 1.50 0.73 8.40 0.04 -1.26 -4.91 135.00 139.13 2iz3 s PRO 27 Ca -0.05 0.58 -0.16 0.00 0.04 0.00 0.00 61.00 61.41 2iz3 s PRO 27 Cb -0.03 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.66 2iz3 s PRO 27 CO 0.01 -2.01 0.96 -0.89 0.04 0.00 0.00 177.00 175.12 2iz3 n ILE 28 N -3.69 2.71 -0.96 0.56 2.08 -1.26 -1.79 119.36 117.01 2iz3 n ILE 28 Ca 0.07 -0.36 0.00 0.00 0.56 0.00 0.00 62.75 63.02 2iz3 n ILE 28 Cb 0.57 -1.09 0.00 0.00 -0.75 0.00 0.00 39.64 38.37 2iz3 n ILE 28 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 2iz3 n ASN 29 N -1.73 -3.91 -4.88 4.38 2.85 -1.01 -4.99 115.26 105.98 2iz3 n ASN 29 Ca 0.13 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.23 2iz3 n ASN 29 Cb 0.49 -1.97 -0.06 0.00 1.24 0.00 0.00 39.78 39.49 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 -2.07 6.45 0.03 1.20 0.15 -0.74 -4.99 113.70 113.74 2iz3 s SER 30 Ca 0.00 0.54 0.08 0.00 0.70 0.00 0.00 55.95 57.26 2iz3 s SER 30 Cb 0.00 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.19 2iz3 s SER 30 CO 0.00 0.38 -0.21 -1.61 1.20 0.00 0.00 173.24 173.00 2iz3 s GLU 31 N -1.12 2.02 -0.05 5.44 2.02 -1.26 -3.11 118.70 122.64 2iz3 s GLU 31 Ca 0.18 -0.99 0.01 0.00 0.02 0.00 0.00 54.97 54.19 2iz3 s GLU 31 Cb -0.13 -2.12 0.02 0.00 0.10 0.00 0.00 34.13 32.00 2iz3 s GLU 31 CO 0.07 0.54 -0.07 1.67 0.02 0.00 0.00 175.26 177.49 2iz3 s TRP 32 N -0.84 0.99 0.22 1.61 -2.14 -1.07 -5.03 118.94 112.69 2iz3 s TRP 32 Ca 0.13 -0.33 -0.29 0.00 2.66 0.00 0.00 56.10 58.28 2iz3 s TRP 32 Cb -0.10 -0.81 -0.09 0.00 -3.10 0.00 0.00 33.47 29.37 2iz3 s TRP 32 CO 0.03 -0.23 0.89 -0.65 -2.66 0.00 0.00 176.95 174.34 2iz3 s GLN 33 N 0.87 4.77 0.36 3.25 -0.21 -1.26 -3.26 119.66 124.19 2iz3 s GLN 33 Ca -0.12 1.39 0.07 0.00 0.02 0.00 0.00 55.36 56.73 2iz3 s GLN 33 Cb -0.15 -3.27 -0.01 0.00 1.00 0.00 0.00 33.01 30.58 2iz3 s GLN 33 CO 0.01 0.53 0.44 0.95 -2.12 0.00 0.00 175.29 175.10 2iz3 s THR 34 N -1.17 3.54 -2.13 -0.19 -4.23 -0.23 -5.00 115.64 106.22 2iz3 s THR 34 Ca 0.40 -1.13 0.26 0.00 -1.18 0.00 0.00 61.69 60.04 2iz3 s THR 34 Cb -0.25 -3.22 0.68 0.00 1.34 0.00 0.00 72.50 71.05 2iz3 s THR 34 CO 0.30 -0.11 1.91 0.47 -0.54 0.00 0.00 174.62 176.65 2iz3 n ASP 35 N -1.61 0.51 -1.49 3.99 8.00 -1.26 -3.17 116.55 121.52 2iz3 n ASP 35 Ca 0.02 -1.30 -0.01 0.00 0.71 0.00 0.00 54.79 54.21 2iz3 n ASP 35 Cb 0.59 -0.01 0.28 0.00 -0.02 0.00 0.00 41.12 41.95 2iz3 n ASP 35 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2iz3 n ASN 36 N -0.54 4.14 -3.72 -2.24 5.03 -1.26 -4.94 115.26 111.73 2iz3 n ASN 36 Ca 0.19 -3.25 -0.22 0.00 0.87 0.00 0.00 54.58 52.17 2iz3 n ASN 36 Cb 0.17 -0.66 0.03 0.00 -1.02 0.00 0.00 39.78 38.30 2iz3 n ASN 36 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2iz3 s GLU 38 N -6.02 0.47 -0.10 0.00 2.02 -1.26 -2.61 118.70 111.20 2iz3 s GLU 38 Ca 0.01 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.23 2iz3 s GLU 38 Cb -0.00 -0.06 0.02 0.00 0.10 0.00 0.00 34.13 34.18 2iz3 s GLU 38 CO 0.82 -0.01 -0.09 0.99 0.02 0.00 0.00 175.26 176.99 2iz3 s THR 39 N -1.84 1.04 0.20 3.63 2.01 -0.91 -1.07 115.64 118.70 2iz3 s THR 39 Ca -0.09 -0.34 0.10 0.00 0.31 0.00 0.00 61.69 61.67 2iz3 s THR 39 Cb -0.07 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 2iz3 s THR 39 CO -0.02 0.36 -0.15 0.00 -0.69 0.00 0.00 174.62 174.12 2iz3 s THR 41 N -1.78 1.29 -0.16 0.00 2.01 -0.33 -2.58 115.64 114.09 2iz3 s THR 41 Ca 0.24 -0.81 -0.13 0.00 0.31 0.00 0.00 61.69 61.30 2iz3 s THR 41 Cb -0.08 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 2iz3 s THR 41 CO 0.13 0.27 0.25 0.00 -0.69 0.00 0.00 174.62 174.59 2iz3 n TYR 43 N 3.44 1.17 -0.11 0.00 4.01 0.44 -2.41 117.16 123.70 2iz3 n TYR 43 Ca -0.13 -2.55 -0.06 0.00 -0.16 0.00 0.00 57.90 55.00 2iz3 n TYR 43 Cb 0.52 -0.34 -0.00 0.00 -0.31 0.00 0.00 39.34 39.20 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 -0.19 -0.14 -0.72 5.08 -2.01 -3.31 114.58 113.29 2iz3 h GLU 44 Ca -0.43 0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 57.75 2iz3 h GLU 44 Cb 1.30 0.04 -0.37 0.00 0.50 0.00 0.00 28.75 30.22 2iz3 h GLU 44 CO 0.71 -0.12 -1.00 0.25 -1.00 0.00 0.00 179.01 177.84 2iz3 n THR 45 N -5.40 0.41 -3.51 1.13 -2.24 -1.26 -5.09 114.28 98.33 2iz3 n THR 45 Ca 0.02 -1.57 -0.11 0.00 -2.27 0.00 0.00 64.05 60.11 2iz3 n THR 45 Cb 0.31 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.59 2iz3 n THR 45 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2iz3 s GLU 46 N -1.23 1.23 -0.05 -0.78 2.02 -1.25 -3.76 118.70 114.88 2iz3 s GLU 46 Ca 0.29 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.73 2iz3 s GLU 46 Cb 0.35 0.55 0.01 0.00 0.10 0.00 0.00 34.13 35.14 2iz3 s GLU 46 CO -0.12 -0.52 -0.09 0.42 0.02 0.00 0.00 175.26 174.96 2iz3 s ILE 47 N -3.77 0.88 0.09 -1.63 1.01 -0.19 -0.42 121.20 117.17 2iz3 s ILE 47 Ca 0.02 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.33 2iz3 s ILE 47 Cb -0.00 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 2iz3 s ILE 47 CO -0.12 0.29 0.23 -0.55 0.00 0.00 0.00 174.94 174.80 2iz3 s SER 48 N 0.63 6.34 -0.24 3.58 0.15 -0.68 0.30 113.70 123.78 2iz3 s SER 48 Ca -0.11 0.23 -0.05 0.00 0.70 0.00 0.00 55.95 56.72 2iz3 s SER 48 Cb -0.14 -1.94 0.12 0.00 -1.71 0.00 0.00 66.02 62.36 2iz3 s SER 48 CO 0.02 0.13 0.44 0.00 1.20 0.00 0.00 173.24 175.03 2iz3 s THR 51 N -0.46 4.89 -0.58 0.00 -1.32 -1.26 -2.14 115.64 114.77 2iz3 s THR 51 Ca 0.05 0.40 0.24 0.00 -1.21 0.00 0.00 61.69 61.16 2iz3 s THR 51 Cb -0.11 -3.71 -0.01 0.00 -1.51 0.00 0.00 72.50 67.15 2iz3 s THR 51 CO 0.01 -0.38 1.19 0.18 -2.21 0.00 0.00 174.62 173.41 2iz3 n LEU 52 N -0.99 0.68 -4.73 9.08 4.77 -1.07 -4.90 117.00 119.84 2iz3 n LEU 52 Ca 0.01 0.16 -0.41 0.00 -0.03 0.00 0.00 56.01 55.74 2iz3 n LEU 52 Cb 0.54 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 2iz3 n LEU 52 CO 0.47 -0.04 0.63 0.68 -1.33 0.00 0.00 177.39 177.81 2iz3 s VAL 53 N -3.20 4.50 0.28 4.08 -7.23 -1.26 -4.90 120.40 112.67 2iz3 s VAL 53 Ca 0.05 2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 62.15 2iz3 s VAL 53 Cb 0.13 -4.29 -0.06 0.00 0.56 0.00 0.00 36.38 32.72 2iz3 s VAL 53 CO 0.76 0.34 0.58 -0.44 -0.31 0.00 0.00 175.10 176.02 2iz3 s SER 54 N -0.12 6.53 -0.17 4.85 0.01 -1.26 -4.91 113.70 118.63 2iz3 s SER 54 Ca 0.45 0.85 -0.08 0.00 1.31 0.00 0.00 55.95 58.47 2iz3 s SER 54 Cb -0.23 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 2iz3 s SER 54 CO 0.29 -0.17 0.11 -0.89 0.41 0.00 0.00 173.24 172.99 2iz3 s THR 55 N -2.01 5.21 -0.16 1.44 2.01 -1.00 -3.93 115.64 117.20 2iz3 s THR 55 Ca 0.46 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.28 2iz3 s THR 55 Cb -0.11 -3.34 -0.00 0.00 0.01 0.00 0.00 72.50 69.06 2iz3 s THR 55 CO 0.26 0.49 1.00 -2.16 -0.69 0.00 0.00 174.62 173.53 2iz3 s PRO 56 N -0.00 4.34 0.03 4.92 0.04 -1.26 -2.02 135.00 141.05 2iz3 s PRO 56 Ca 0.08 1.34 -0.02 0.00 0.04 0.00 0.00 61.00 62.45 2iz3 s PRO 56 Cb -0.12 -3.59 -0.02 0.00 0.04 0.00 0.00 34.50 30.82 2iz3 s PRO 56 CO 0.00 -0.44 0.01 0.54 0.04 0.00 0.00 177.00 177.14 2iz3 s VAL 57 N 2.50 0.14 -0.40 -0.36 0.11 -1.15 -4.87 120.40 116.38 2iz3 s VAL 57 Ca 0.46 -1.16 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 2iz3 s VAL 57 Cb -0.17 -0.72 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 2iz3 s VAL 57 CO 0.13 -0.64 0.19 0.61 -3.33 0.00 0.00 175.10 172.06 2iz3 n GLY 58 N 1.04 0.40 3.20 6.54 0.00 -1.26 -2.93 105.19 112.18 2iz3 n GLY 58 Ca -0.20 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.77 1.17 -0.49 1.61 1.13 -1.26 -2.18 117.35 114.56 2iz3 s TYR 59 Ca 0.09 -0.65 -0.27 0.00 -1.41 0.00 0.00 57.07 54.84 2iz3 s TYR 59 Cb -0.04 -0.62 -0.05 0.00 -1.10 0.00 0.00 41.96 40.15 2iz3 s TYR 59 CO 0.12 0.04 2.18 -0.51 -2.51 0.00 0.00 175.55 174.87 2iz3 s ASP 60 N -2.55 4.90 0.05 -0.18 1.01 -1.26 -4.78 116.67 113.85 2iz3 s ASP 60 Ca 0.08 0.96 0.23 0.00 0.71 0.00 0.00 52.55 54.53 2iz3 s ASP 60 Cb -0.03 -2.51 0.93 0.00 1.01 0.00 0.00 42.92 42.32 2iz3 s ASP 60 CO 0.01 -2.55 1.71 0.29 0.21 0.00 0.00 175.17 174.84 2iz3 n LYS 61 N 8.99 0.05 -0.06 8.23 5.02 -1.26 -0.54 118.16 138.59 2iz3 n LYS 61 Ca 0.30 0.16 -0.10 0.00 -2.02 0.00 0.00 58.31 56.66 2iz3 n LYS 61 Cb 0.52 -1.57 -0.15 0.00 -0.02 0.00 0.00 35.03 33.82 2iz3 n LYS 61 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2iz3 n ASP 62 N -1.65 0.54 -0.01 4.39 5.75 -1.26 -4.40 116.55 119.90 2iz3 n ASP 62 Ca 0.05 0.21 0.09 0.00 -0.01 0.00 0.00 54.79 55.13 2iz3 n ASP 62 Cb 0.27 0.39 -0.13 0.00 -1.03 0.00 0.00 41.12 40.61 2iz3 n ASP 62 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2iz3 n ASN 63 N -2.93 0.77 -4.19 -1.12 3.02 -1.19 -4.95 115.26 104.67 2iz3 n ASN 63 Ca -0.25 -0.22 -0.26 0.00 -0.03 0.00 0.00 54.58 53.82 2iz3 n ASN 63 Cb 1.10 1.65 -0.15 0.00 -0.61 0.00 0.00 39.78 41.76 2iz3 n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2iz3 s GLN 65 N -0.52 2.35 0.17 0.00 -2.07 -1.04 -4.28 119.66 114.27 2iz3 s GLN 65 Ca 0.07 -0.91 -0.24 0.00 -1.82 0.00 0.00 55.36 52.45 2iz3 s GLN 65 Cb -0.07 -2.10 -0.08 0.00 -1.09 0.00 0.00 33.01 29.66 2iz3 s GLN 65 CO -0.00 0.46 0.76 -0.98 -1.32 0.00 0.00 175.29 174.20 2iz3 s ARG 66 N -0.36 4.51 -0.08 9.60 1.70 -1.26 -3.09 118.95 129.98 2iz3 s ARG 66 Ca 0.02 1.11 0.04 0.00 -0.47 0.00 0.00 55.73 56.43 2iz3 s ARG 66 Cb -0.12 -3.22 0.00 0.00 -0.57 0.00 0.00 34.95 31.05 2iz3 s ARG 66 CO 0.02 0.56 -0.19 0.42 -1.08 0.00 0.00 175.30 175.02 2iz3 s ILE 67 N -1.19 1.68 -0.32 4.99 1.01 -0.18 -4.97 121.20 122.22 2iz3 s ILE 67 Ca 0.36 -0.81 -0.21 0.00 0.00 0.00 0.00 60.65 59.99 2iz3 s ILE 67 Cb -0.22 -1.46 -0.00 0.00 0.01 0.00 0.00 42.46 40.78 2iz3 s ILE 67 CO 0.25 0.48 0.67 0.12 0.00 0.00 0.00 174.94 176.46 2iz3 s PHE 68 N 0.33 3.19 -0.31 3.97 5.36 -1.26 -2.98 117.98 126.26 2iz3 s PHE 68 Ca -0.13 0.55 -0.02 0.00 -0.96 0.00 0.00 56.93 56.36 2iz3 s PHE 68 Cb -0.16 -3.10 0.06 0.00 -0.34 0.00 0.00 43.02 39.48 2iz3 s PHE 68 CO 0.06 -0.55 0.03 0.15 -1.46 0.00 0.00 175.22 173.45 2iz3 s LYS 69 N 2.73 2.39 0.10 10.12 3.01 -1.16 -4.99 119.74 131.94 2iz3 s LYS 69 Ca 0.27 -1.32 -0.17 0.00 -1.01 0.00 0.00 55.97 53.73 2iz3 s LYS 69 Cb -0.15 -3.25 -0.05 0.00 -1.01 0.00 0.00 37.83 33.38 2iz3 s LYS 69 CO 0.13 -0.67 1.58 0.87 0.51 0.00 0.00 175.35 177.77 2iz3 h LYS 70 N 8.02 0.51 -0.41 1.68 1.57 -1.96 0.64 116.57 126.62 2iz3 h LYS 70 Ca -0.20 -0.14 0.07 0.00 -1.87 0.00 0.00 60.65 58.51 2iz3 h LYS 70 Cb 1.06 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 2iz3 h LYS 70 CO 0.55 0.61 0.28 1.49 -0.57 0.00 0.00 179.45 181.81 2iz3 h GLU 71 N 0.34 0.23 -0.11 3.15 4.57 -1.98 -0.57 114.58 120.22 2iz3 h GLU 71 Ca 0.09 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2iz3 h GLU 71 Cb 0.34 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 2iz3 h GLU 71 CO 0.01 0.15 0.00 -0.25 -1.18 0.00 0.00 179.01 177.74 2iz3 n ASP 72 N -4.47 2.75 -3.83 1.04 8.00 -1.13 -5.00 116.55 113.90 2iz3 n ASP 72 Ca 0.06 -1.83 -0.31 0.00 0.71 0.00 0.00 54.79 53.42 2iz3 n ASP 72 Cb 0.31 -0.06 0.01 0.00 -0.02 0.00 0.00 41.12 41.36 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 -5.95 1.02 -0.15 0.00 -2.85 -1.14 -4.34 119.74 106.33 2iz3 s LYS 74 Ca 0.24 -0.51 -0.01 0.00 -1.00 0.00 0.00 55.97 54.69 2iz3 s LYS 74 Cb -0.13 0.39 -0.01 0.00 -2.06 0.00 0.00 37.83 36.01 2iz3 s LYS 74 CO 0.77 -0.46 -0.11 0.71 0.10 0.00 0.00 175.35 176.36 2iz3 s TYR 75 N -3.19 2.86 -0.05 1.78 2.02 -1.25 -3.01 117.35 116.51 2iz3 s TYR 75 Ca 0.10 -0.66 0.05 0.00 -0.37 0.00 0.00 57.07 56.18 2iz3 s TYR 75 Cb -0.01 -1.90 -0.00 0.00 -0.40 0.00 0.00 41.96 39.65 2iz3 s TYR 75 CO -0.02 -0.25 -0.18 0.96 -1.57 0.00 0.00 175.55 174.49 2iz3 s ILE 76 N 0.53 1.52 -0.14 2.71 -0.00 -1.16 -4.80 121.20 119.87 2iz3 s ILE 76 Ca -0.07 -0.77 0.00 0.00 -0.00 0.00 0.00 60.65 59.81 2iz3 s ILE 76 Cb -0.15 -1.30 -0.01 0.00 -0.00 0.00 0.00 42.46 40.99 2iz3 s ILE 76 CO 0.04 0.44 -0.15 0.68 -0.00 0.00 0.00 174.94 175.94 2iz3 s VAL 77 N 0.00 2.78 0.11 8.37 -7.23 -1.26 -1.01 120.40 122.16 2iz3 s VAL 77 Ca -0.04 -0.74 0.03 0.00 -1.81 0.00 0.00 61.98 59.42 2iz3 s VAL 77 Cb -0.12 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 2iz3 s VAL 77 CO 0.02 0.52 -0.08 0.68 -0.31 0.00 0.00 175.10 175.93 2iz3 s VAL 78 N 0.58 0.86 0.62 1.32 -7.23 -1.18 -1.64 120.40 113.72 2iz3 s VAL 78 Ca -0.09 -1.85 -0.18 0.00 -1.81 0.00 0.00 61.98 58.05 2iz3 s VAL 78 Cb -0.16 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 2iz3 s VAL 78 CO 0.03 -0.74 0.85 -0.62 -0.31 0.00 0.00 175.10 174.31 2iz3 n GLU 79 N 0.14 0.73 -0.00 4.82 1.02 -1.09 -2.48 120.64 123.78 2iz3 n GLU 79 Ca -0.13 0.29 -0.18 0.00 -0.02 0.00 0.00 57.16 57.12 2iz3 n GLU 79 Cb 0.60 -2.06 -0.10 0.00 -0.02 0.00 0.00 31.44 29.86 2iz3 n GLU 79 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2iz3 h LYS 80 N 0.29 0.55 -0.48 3.49 1.57 -1.45 -2.50 116.57 118.04 2iz3 h LYS 80 Ca -0.48 -0.52 -0.06 0.00 -1.87 0.00 0.00 60.65 57.72 2iz3 h LYS 80 Cb 1.37 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.80 2iz3 h LYS 80 CO 0.49 1.15 0.05 0.87 -0.57 0.00 0.00 179.45 181.45 2iz3 h LYS 81 N 0.14 0.81 -2.90 3.15 1.57 -1.91 -3.37 116.57 114.06 2iz3 h LYS 81 Ca -0.07 -0.23 -0.61 0.00 -1.87 0.00 0.00 60.65 57.87 2iz3 h LYS 81 Cb 1.35 -0.09 -0.40 0.00 0.08 0.00 0.00 32.23 33.17 2iz3 h LYS 81 CO 0.14 0.83 -0.73 -0.51 -0.57 0.00 0.00 179.45 178.61 2iz3 s ASP 82 N -6.24 3.56 0.41 0.86 1.01 -1.24 -4.96 116.67 110.07 2iz3 s ASP 82 Ca -0.13 -3.13 0.28 0.00 0.71 0.00 0.00 52.55 50.28 2iz3 s ASP 82 Cb 0.11 -1.13 1.48 0.00 1.01 0.00 0.00 42.92 44.40 2iz3 s ASP 82 CO 0.81 -0.19 1.85 -0.65 0.21 0.00 0.00 175.17 177.20 2iz3 h PRO 83 N 6.06 0.00 -0.53 8.23 0.11 -1.62 -2.46 132.00 141.78 2iz3 h PRO 83 Ca 0.10 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 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 0.54 0.00 0.12 0.87 -0.21 0.00 0.00 178.00 179.32 2iz3 h LYS 84 N 0.00 0.86 -6.38 1.05 1.57 -1.93 -3.43 116.57 108.31 2iz3 h LYS 84 Ca 0.00 -0.21 -0.54 0.00 -1.87 0.00 0.00 60.65 58.03 2iz3 h LYS 84 Cb 0.04 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 2iz3 h LYS 84 CO 0.00 0.82 0.14 0.15 -0.57 0.00 0.00 179.45 179.99 2iz3 s LYS 85 N -5.28 4.48 0.57 3.15 -0.14 -0.93 -5.04 119.74 116.56 2iz3 s LYS 85 Ca -0.13 1.05 -0.06 0.00 -1.36 0.00 0.00 55.97 55.47 2iz3 s LYS 85 Cb 0.12 -3.30 -0.01 0.00 -1.68 0.00 0.00 37.83 32.96 2iz3 s LYS 85 CO 0.81 0.46 0.89 0.95 -0.76 0.00 0.00 175.35 177.69 2iz3 s THR 86 N -0.66 4.04 0.11 2.17 -4.23 -1.26 -2.65 115.64 113.16 2iz3 s THR 86 Ca 0.36 0.12 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 2iz3 s THR 86 Cb -0.21 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 2iz3 s THR 86 CO 0.24 -0.61 0.26 0.00 -0.54 0.00 0.00 174.62 173.96 2iz3 s SER 88 N -2.91 6.79 0.15 0.00 0.15 -1.26 -4.96 113.70 111.66 2iz3 s SER 88 Ca 0.35 -2.33 -0.31 0.00 0.70 0.00 0.00 55.95 54.35 2iz3 s SER 88 Cb -0.12 -2.58 -0.10 0.00 -1.71 0.00 0.00 66.02 61.52 2iz3 s SER 88 CO 0.28 -1.22 1.56 -0.69 1.20 0.00 0.00 173.24 174.37 2iz3 s VAL 89 N 4.36 2.72 0.34 4.45 1.01 -1.26 -4.81 120.40 127.20 2iz3 s VAL 89 Ca 0.53 0.49 0.02 0.00 0.00 0.00 0.00 61.98 63.03 2iz3 s VAL 89 Cb 0.04 -3.32 0.21 0.00 0.00 0.00 0.00 36.38 33.31 2iz3 s VAL 89 CO 0.06 0.03 1.93 -1.28 0.00 0.00 0.00 175.10 175.85 2iz3 h SER 90 N 6.96 0.65 -5.60 3.32 0.87 -1.43 -3.47 113.55 114.85 2iz3 h SER 90 Ca -0.43 -0.07 0.26 0.00 -1.23 0.00 0.00 61.79 60.33 2iz3 h SER 90 Cb 1.20 -0.17 -0.09 0.00 -0.44 0.00 0.00 62.40 62.91 2iz3 h SER 90 CO 0.91 0.57 0.70 -1.83 -0.53 0.00 0.00 176.83 176.65 2iz3 s GLU 91 N -5.37 0.76 0.08 2.24 -1.05 -1.15 -5.04 118.70 109.17 2iz3 s GLU 91 Ca -0.09 -0.44 0.06 0.00 -0.15 0.00 0.00 54.97 54.36 2iz3 s GLU 91 Cb 0.16 0.25 -0.03 0.00 -0.44 0.00 0.00 34.13 34.07 2iz3 s GLU 91 CO 0.77 -0.35 -0.17 -1.58 0.95 0.00 0.00 175.26 174.88 2iz3 s TRP 92 N -2.65 1.45 -0.21 4.83 0.52 -1.26 -2.92 118.94 118.70 2iz3 s TRP 92 Ca 0.16 -0.43 -0.12 0.00 0.02 0.00 0.00 56.10 55.72 2iz3 s TRP 92 Cb 0.02 -0.81 -0.05 0.00 -1.15 0.00 0.00 33.47 31.48 2iz3 s TRP 92 CO -0.01 0.11 0.22 0.42 0.02 0.00 0.00 176.95 177.72 2iz3 s ILE 93 N -1.19 5.33 0.00 2.03 -1.09 -0.86 -4.90 121.20 120.53 2iz3 s ILE 93 Ca 0.02 0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 2iz3 s ILE 93 Cb -0.10 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 2iz3 s ILE 93 CO 0.03 0.36 0.00 0.00 -1.23 0.00 0.00 174.94 174.10