#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 -3.12 0.45 -0.11 0.00 1.13 -0.99 -5.04 117.35 109.67 2iz3 s TYR 3 Ca 0.55 -0.96 0.02 0.00 -1.41 0.00 0.00 57.07 55.27 2iz3 s TYR 3 Cb -0.11 -0.31 -0.01 0.00 -1.10 0.00 0.00 41.96 40.43 2iz3 s TYR 3 CO 0.49 -0.43 -0.19 -0.06 -2.51 0.00 0.00 175.55 172.85 2iz3 s PHE 4 N -3.91 2.68 -0.24 -3.49 0.08 -1.26 -2.56 117.98 109.28 2iz3 s PHE 4 Ca 0.08 -0.81 -0.01 0.00 0.12 0.00 0.00 56.93 56.31 2iz3 s PHE 4 Cb 0.07 -1.76 0.03 0.00 -0.57 0.00 0.00 43.02 40.78 2iz3 s PHE 4 CO -0.09 -0.29 -0.09 0.42 -0.10 0.00 0.00 175.22 175.07 2iz3 s ILE 5 N 0.28 2.69 0.24 0.64 -1.09 -0.28 -5.04 121.20 118.65 2iz3 s ILE 5 Ca -0.13 -1.05 -0.30 0.00 -2.23 0.00 0.00 60.65 56.94 2iz3 s ILE 5 Cb -0.17 -2.34 -0.09 0.00 -1.58 0.00 0.00 42.46 38.28 2iz3 s ILE 5 CO 0.07 0.24 1.17 -2.16 -1.23 0.00 0.00 174.94 173.03 2iz3 s PRO 6 N 1.30 4.54 0.26 2.79 0.04 -1.26 -0.74 135.00 141.92 2iz3 s PRO 6 Ca 0.00 1.89 -0.04 0.00 0.04 0.00 0.00 61.00 62.90 2iz3 s PRO 6 Cb -0.16 -3.20 0.36 0.00 0.04 0.00 0.00 34.50 31.54 2iz3 s PRO 6 CO -0.06 0.02 1.89 -0.97 0.04 0.00 0.00 177.00 177.92 2iz3 h ASN 7 N 4.40 1.03 -3.01 6.66 -0.73 -1.85 -2.27 115.58 119.81 2iz3 h ASN 7 Ca -0.46 0.00 -0.79 0.00 1.87 0.00 0.00 56.30 56.93 2iz3 h ASN 7 Cb 1.21 -0.22 -0.30 0.00 0.27 0.00 0.00 38.32 39.29 2iz3 h ASN 7 CO 0.70 0.67 0.56 -0.62 -0.37 0.00 0.00 177.43 178.38 2iz3 n GLU 8 N -4.50 4.05 0.00 6.67 4.71 -1.26 -4.09 120.64 126.21 2iz3 n GLU 8 Ca 0.14 -4.54 0.00 0.00 -0.01 0.00 0.00 57.16 52.75 2iz3 n GLU 8 Cb 0.15 -2.49 0.00 0.00 -1.01 0.00 0.00 31.44 28.08 2iz3 n GLU 8 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2iz3 n GLY 9 N 1.61 -0.14 3.58 0.62 0.00 -1.14 -5.14 105.19 104.56 2iz3 n GLY 9 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 3.20 -2.48 1.61 0.24 -0.87 -4.76 118.33 115.27 2iz3 n VAL 10 Ca 0.00 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.41 2iz3 n VAL 10 Cb 0.00 -1.03 -0.04 0.00 -1.47 0.00 0.00 33.84 31.30 2iz3 n VAL 10 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2iz3 s PRO 11 N -2.50 4.45 -0.93 7.34 0.04 -1.26 -3.85 135.00 138.29 2iz3 s PRO 11 Ca 0.73 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 63.47 2iz3 s PRO 11 Cb -0.44 -2.95 0.02 0.00 0.04 0.00 0.00 34.50 31.16 2iz3 s PRO 11 CO 0.50 0.06 0.04 0.41 0.04 0.00 0.00 177.00 178.05 2iz3 n GLY 12 N 0.89 -0.09 0.00 0.56 0.00 -1.26 -4.72 105.19 100.58 2iz3 n GLY 12 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2iz3 n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2iz3 n ASP 13 N -1.51 2.15 0.00 1.61 9.92 -1.25 -5.05 116.55 122.42 2iz3 n ASP 13 Ca -0.16 -0.19 0.00 0.00 -0.53 0.00 0.00 54.79 53.91 2iz3 n ASP 13 Cb 0.39 0.81 0.00 0.00 -0.64 0.00 0.00 41.12 41.68 2iz3 n ASP 13 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2iz3 n SER 14 N -1.02 0.00 0.04 -2.24 7.64 -1.26 0.11 113.62 116.89 2iz3 n SER 14 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 2iz3 n SER 14 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 2iz3 n SER 14 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2iz3 h THR 15 N 0.00 1.35 -2.02 0.44 1.35 -1.98 -3.45 112.91 108.59 2iz3 h THR 15 Ca 0.00 -1.90 -0.62 0.00 -0.55 0.00 0.00 66.41 63.33 2iz3 h THR 15 Cb 0.00 1.90 0.05 0.00 -1.73 0.00 0.00 68.15 68.37 2iz3 h THR 15 CO 0.00 0.58 0.70 0.54 -0.25 0.00 0.00 175.52 177.09 2iz3 n ARG 16 N -3.92 1.76 -3.85 4.72 5.12 0.31 -4.98 116.66 115.83 2iz3 n ARG 16 Ca -0.03 0.64 -0.12 0.00 -1.93 0.00 0.00 57.85 56.41 2iz3 n ARG 16 Cb 0.62 -2.36 -0.12 0.00 -1.16 0.00 0.00 32.46 29.44 2iz3 n ARG 16 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2iz3 s LYS 17 N 1.04 0.26 -0.96 5.56 1.02 -1.26 -4.78 119.74 120.61 2iz3 s LYS 17 Ca 0.82 -0.02 -0.23 0.00 0.02 0.00 0.00 55.97 56.56 2iz3 s LYS 17 Cb -0.79 0.11 0.03 0.00 -0.52 0.00 0.00 37.83 36.66 2iz3 s LYS 17 CO 0.43 -0.05 0.57 0.00 -0.92 0.00 0.00 175.35 175.38 2iz3 s MET 19 N -6.50 0.16 0.49 0.00 0.00 -1.26 -4.32 119.30 107.86 2iz3 s MET 19 Ca 0.32 0.61 -0.23 0.00 0.00 0.00 0.00 55.69 56.39 2iz3 s MET 19 Cb -0.18 -0.11 -0.07 0.00 0.00 0.00 0.00 34.83 34.47 2iz3 s MET 19 CO 0.82 -0.23 1.25 -3.47 0.00 0.00 0.00 175.02 173.39 2iz3 n ASP 20 N 4.81 2.28 0.31 1.11 -0.08 -0.76 -4.85 116.55 119.37 2iz3 n ASP 20 Ca -0.15 1.01 0.19 0.00 -1.51 0.00 0.00 54.79 54.33 2iz3 n ASP 20 Cb 0.51 -1.51 1.02 0.00 2.34 0.00 0.00 41.12 43.49 2iz3 n ASP 20 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2iz3 h LEU 21 N 1.59 0.00 -0.64 -2.67 3.38 -2.01 0.37 115.31 115.32 2iz3 h LEU 21 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2iz3 h LEU 21 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2iz3 h LEU 21 CO 0.57 0.02 0.00 0.11 0.09 0.00 0.00 178.44 179.23 2iz3 h LYS 22 N 0.00 0.00 0.00 1.13 1.79 -2.02 -3.45 116.57 114.02 2iz3 h LYS 22 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2iz3 h LYS 22 Cb 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2iz3 h LYS 22 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2iz3 n GLY 23 N 0.35 1.05 3.35 3.86 0.00 0.12 -5.07 105.19 108.85 2iz3 n GLY 23 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2iz3 n GLY 23 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2iz3 s ASN 24 N -2.00 5.77 0.23 1.61 3.04 -1.22 -4.93 114.94 117.44 2iz3 s ASN 24 Ca 0.00 -1.18 -0.28 0.00 0.04 0.00 0.00 52.86 51.44 2iz3 s ASN 24 Cb 0.00 -2.04 -0.09 0.00 -1.54 0.00 0.00 41.25 37.58 2iz3 s ASN 24 CO 0.00 -0.47 0.89 -0.75 -3.04 0.00 0.00 177.10 173.74 2iz3 s LYS 25 N 1.53 4.73 0.02 0.43 2.20 -1.26 -1.84 119.74 125.56 2iz3 s LYS 25 Ca 0.02 1.36 0.06 0.00 -0.36 0.00 0.00 55.97 57.05 2iz3 s LYS 25 Cb -0.21 -3.20 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 2iz3 s LYS 25 CO 0.05 0.50 -0.17 -3.38 -0.36 0.00 0.00 175.35 171.99 2iz3 s HIS 26 N -1.24 1.48 1.04 4.03 -3.43 -1.26 -4.97 115.29 110.94 2iz3 s HIS 26 Ca 0.41 -0.33 -0.17 0.00 -0.80 0.00 0.00 55.06 54.17 2iz3 s HIS 26 Cb -0.24 -0.91 0.23 0.00 -1.43 0.00 0.00 32.58 30.23 2iz3 s HIS 26 CO 0.29 0.03 1.25 -1.25 -2.00 0.00 0.00 174.74 173.06 2iz3 s PRO 27 N -0.89 0.04 0.48 -0.38 0.04 -1.26 -4.94 135.00 128.08 2iz3 s PRO 27 Ca 0.05 -0.27 -0.22 0.00 0.04 0.00 0.00 61.00 60.59 2iz3 s PRO 27 Cb -0.08 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 2iz3 s PRO 27 CO 0.01 -2.84 1.16 0.42 0.04 0.00 0.00 177.00 175.79 2iz3 s ILE 28 N -3.58 3.08 0.00 0.56 -1.09 -1.26 -2.57 121.20 116.35 2iz3 s ILE 28 Ca 0.73 0.79 0.00 0.00 -2.23 0.00 0.00 60.65 59.93 2iz3 s ILE 28 Cb -0.06 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.43 2iz3 s ILE 28 CO 0.54 -0.04 0.00 -3.20 -1.23 0.00 0.00 174.94 171.01 2iz3 n ASN 29 N -0.65 0.00 -4.71 3.58 2.85 -1.05 -4.99 115.26 110.30 2iz3 n ASN 29 Ca 0.08 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.19 2iz3 n ASN 29 Cb 0.48 -0.20 -0.08 0.00 1.24 0.00 0.00 39.78 41.23 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 -3.29 6.21 -0.04 1.20 0.15 -1.06 -5.00 113.70 111.86 2iz3 s SER 30 Ca 0.00 0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.86 2iz3 s SER 30 Cb 0.00 -2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 62.17 2iz3 s SER 30 CO 0.00 0.13 0.06 -1.61 1.20 0.00 0.00 173.24 173.02 2iz3 s GLU 31 N 0.60 3.07 0.02 5.44 2.02 -1.26 -3.77 118.70 124.82 2iz3 s GLU 31 Ca 0.09 -0.42 0.05 0.00 0.02 0.00 0.00 54.97 54.70 2iz3 s GLU 31 Cb -0.12 -2.87 -0.02 0.00 0.10 0.00 0.00 34.13 31.22 2iz3 s GLU 31 CO 0.01 0.68 -0.14 1.67 0.02 0.00 0.00 175.26 177.50 2iz3 s TRP 32 N -1.07 1.25 -0.09 1.61 -2.14 -1.11 -5.05 118.94 112.34 2iz3 s TRP 32 Ca 0.19 -0.30 -0.03 0.00 2.66 0.00 0.00 56.10 58.62 2iz3 s TRP 32 Cb -0.12 -0.77 -0.04 0.00 -3.10 0.00 0.00 33.47 29.44 2iz3 s TRP 32 CO 0.09 0.01 0.05 -0.65 -2.66 0.00 0.00 176.95 173.79 2iz3 s GLN 33 N -0.75 3.13 0.65 3.25 -0.21 -1.26 -2.88 119.66 121.58 2iz3 s GLN 33 Ca 0.04 -0.32 -0.06 0.00 0.02 0.00 0.00 55.36 55.03 2iz3 s GLN 33 Cb -0.07 -2.92 0.04 0.00 1.00 0.00 0.00 33.01 31.06 2iz3 s GLN 33 CO 0.00 0.72 0.95 0.95 -2.12 0.00 0.00 175.29 175.80 2iz3 s THR 34 N -0.95 2.84 -2.00 -0.19 -4.23 -1.07 -4.94 115.64 105.10 2iz3 s THR 34 Ca 0.15 -0.20 0.11 0.00 -1.18 0.00 0.00 61.69 60.57 2iz3 s THR 34 Cb -0.12 -3.17 0.32 0.00 1.34 0.00 0.00 72.50 70.87 2iz3 s THR 34 CO 0.04 -0.18 1.14 0.47 -0.54 0.00 0.00 174.62 175.55 2iz3 n ASP 35 N -2.74 0.00 0.00 3.99 8.00 -1.26 -4.55 116.55 119.98 2iz3 n ASP 35 Ca 0.07 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.71 2iz3 n ASP 35 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 2iz3 n ASP 35 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2iz3 n ASN 36 N -0.79 0.00 -2.94 -2.24 5.15 -1.26 -5.06 115.26 108.11 2iz3 n ASN 36 Ca 0.08 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.92 2iz3 n ASN 36 Cb 0.04 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.29 2iz3 n ASN 36 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2iz3 s GLU 38 N -2.76 0.60 -0.04 0.00 2.02 -1.26 -1.04 118.70 116.22 2iz3 s GLU 38 Ca 0.34 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 54.96 2iz3 s GLU 38 Cb 0.40 0.26 0.03 0.00 0.10 0.00 0.00 34.13 34.91 2iz3 s GLU 38 CO -0.03 -0.16 0.00 0.99 0.02 0.00 0.00 175.26 176.08 2iz3 s THR 39 N -1.63 0.20 0.34 3.63 2.01 -0.80 -2.59 115.64 116.79 2iz3 s THR 39 Ca -0.12 0.11 0.09 0.00 0.31 0.00 0.00 61.69 62.07 2iz3 s THR 39 Cb -0.05 -0.32 -0.05 0.00 0.01 0.00 0.00 72.50 72.09 2iz3 s THR 39 CO 0.01 0.17 0.03 0.00 -0.69 0.00 0.00 174.62 174.15 2iz3 s THR 41 N -2.50 0.81 -0.31 0.00 2.01 -1.00 -2.76 115.64 111.91 2iz3 s THR 41 Ca 0.35 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 2iz3 s THR 41 Cb -0.01 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 2iz3 s THR 41 CO 0.20 0.02 0.20 0.00 -0.69 0.00 0.00 174.62 174.35 2iz3 s TYR 43 N 1.72 1.85 -1.44 0.00 2.02 -1.02 -2.52 117.35 117.97 2iz3 s TYR 43 Ca 0.06 -0.77 0.10 0.00 -0.37 0.00 0.00 57.07 56.10 2iz3 s TYR 43 Cb -0.17 -1.97 0.38 0.00 -0.40 0.00 0.00 41.96 39.81 2iz3 s TYR 43 CO 0.10 -0.40 1.23 -1.91 -1.57 0.00 0.00 175.55 173.00 2iz3 n GLU 44 N -1.71 2.37 0.00 -0.62 2.13 -1.26 -4.29 120.64 117.25 2iz3 n GLU 44 Ca -0.00 -1.51 0.00 0.00 0.66 0.00 0.00 57.16 56.31 2iz3 n GLU 44 Cb 0.64 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.80 2iz3 n GLU 44 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2iz3 n THR 45 N 0.52 0.00 -3.44 6.31 5.66 -1.26 -5.14 114.28 116.93 2iz3 n THR 45 Ca 0.14 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.11 2iz3 n THR 45 Cb 0.50 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 2iz3 n THR 45 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2iz3 n GLU 46 N -1.54 0.25 -4.64 1.09 1.02 -1.26 -3.89 120.64 111.67 2iz3 n GLU 46 Ca 0.00 -0.66 -0.28 0.00 -0.02 0.00 0.00 57.16 56.20 2iz3 n GLU 46 Cb 0.00 0.72 -0.17 0.00 -0.02 0.00 0.00 31.44 31.98 2iz3 n GLU 46 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2iz3 s ILE 47 N -2.66 1.46 -0.15 -3.67 1.01 0.08 -2.43 121.20 114.85 2iz3 s ILE 47 Ca 0.06 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2iz3 s ILE 47 Cb -0.01 -1.32 -0.00 0.00 0.01 0.00 0.00 42.46 41.14 2iz3 s ILE 47 CO 0.04 0.43 -0.16 -0.55 0.00 0.00 0.00 174.94 174.71 2iz3 s SER 48 N 0.76 3.65 0.07 3.58 0.15 -1.22 -1.12 113.70 119.56 2iz3 s SER 48 Ca -0.12 -0.46 0.07 0.00 0.70 0.00 0.00 55.95 56.14 2iz3 s SER 48 Cb -0.16 -1.56 -0.03 0.00 -1.71 0.00 0.00 66.02 62.57 2iz3 s SER 48 CO 0.02 0.10 -0.19 0.00 1.20 0.00 0.00 173.24 174.37 2iz3 s THR 51 N -0.12 4.06 -2.28 0.00 -1.32 -1.26 -1.91 115.64 112.81 2iz3 s THR 51 Ca 0.02 1.22 0.20 0.00 -1.21 0.00 0.00 61.69 61.92 2iz3 s THR 51 Cb -0.05 -3.52 0.43 0.00 -1.51 0.00 0.00 72.50 67.86 2iz3 s THR 51 CO -0.00 -0.34 1.48 0.18 -2.21 0.00 0.00 174.62 173.73 2iz3 n LEU 52 N -1.02 2.09 -4.35 9.08 4.77 -0.21 -4.89 117.00 122.47 2iz3 n LEU 52 Ca 0.08 -0.90 -0.28 0.00 -0.03 0.00 0.00 56.01 54.88 2iz3 n LEU 52 Cb 0.53 -0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 41.33 2iz3 n LEU 52 CO 0.40 0.45 -0.56 0.68 -1.33 0.00 0.00 177.39 177.04 2iz3 s VAL 53 N -1.69 2.09 0.24 4.08 -7.23 -1.25 -4.58 120.40 112.05 2iz3 s VAL 53 Ca 0.33 -1.62 -0.04 0.00 -1.81 0.00 0.00 61.98 58.84 2iz3 s VAL 53 Cb 0.18 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 2iz3 s VAL 53 CO 0.26 0.11 0.48 -0.94 -0.31 0.00 0.00 175.10 174.70 2iz3 s SER 54 N -1.83 6.44 -0.21 4.85 1.04 -1.26 -4.87 113.70 117.86 2iz3 s SER 54 Ca 0.12 0.60 -0.09 0.00 0.48 0.00 0.00 55.95 57.06 2iz3 s SER 54 Cb -0.10 -2.10 -0.04 0.00 0.10 0.00 0.00 66.02 63.88 2iz3 s SER 54 CO 0.05 -0.11 0.10 -0.89 0.98 0.00 0.00 173.24 173.37 2iz3 s THR 55 N -1.95 4.98 -0.01 2.02 2.01 -0.60 -4.07 115.64 118.02 2iz3 s THR 55 Ca 0.42 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 2iz3 s THR 55 Cb -0.11 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 2iz3 s THR 55 CO 0.28 0.42 1.01 -2.16 -0.69 0.00 0.00 174.62 173.48 2iz3 s PRO 56 N 0.66 4.53 -0.03 4.92 0.04 -1.26 -2.24 135.00 141.62 2iz3 s PRO 56 Ca 0.05 1.45 -0.08 0.00 0.04 0.00 0.00 61.00 62.47 2iz3 s PRO 56 Cb -0.13 -3.46 0.01 0.00 0.04 0.00 0.00 34.50 30.96 2iz3 s PRO 56 CO 0.01 -0.11 0.17 0.54 0.04 0.00 0.00 177.00 177.65 2iz3 s VAL 57 N 1.18 0.05 0.00 -0.36 0.11 -1.12 -4.92 120.40 115.34 2iz3 s VAL 57 Ca 0.52 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 2iz3 s VAL 57 Cb -0.21 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 2iz3 s VAL 57 CO 0.27 -0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 2iz3 n GLY 58 N 2.09 0.66 3.25 6.54 0.00 -1.26 -2.68 105.19 113.80 2iz3 n GLY 58 Ca -0.18 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.69 0.75 -0.88 1.61 1.13 -1.26 -1.58 117.35 114.44 2iz3 s TYR 59 Ca 0.00 -1.08 -0.25 0.00 -1.41 0.00 0.00 57.07 54.33 2iz3 s TYR 59 Cb 0.00 -0.31 0.01 0.00 -1.10 0.00 0.00 41.96 40.56 2iz3 s TYR 59 CO 0.00 -0.65 1.58 -0.51 -2.51 0.00 0.00 175.55 173.46 2iz3 s ASP 60 N -3.05 5.96 0.24 -0.18 1.01 -1.26 -4.82 116.67 114.57 2iz3 s ASP 60 Ca 0.25 -0.81 -0.06 0.00 0.71 0.00 0.00 52.55 52.64 2iz3 s ASP 60 Cb 0.05 -2.56 0.25 0.00 1.01 0.00 0.00 42.92 41.67 2iz3 s ASP 60 CO 0.04 -1.98 1.88 0.11 0.21 0.00 0.00 175.17 175.44 2iz3 h LYS 61 N 10.86 1.26 -0.46 8.23 1.57 -1.99 0.95 116.57 136.99 2iz3 h LYS 61 Ca 0.00 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 2iz3 h LYS 61 Cb 1.04 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 2iz3 h LYS 61 CO 1.32 0.89 0.08 -0.44 -0.57 0.00 0.00 179.45 180.73 2iz3 h ASP 62 N 1.28 0.73 0.91 0.86 3.32 -2.03 -3.19 116.42 118.29 2iz3 h ASP 62 Ca 0.33 -0.26 -0.19 0.00 0.02 0.00 0.00 57.03 56.93 2iz3 h ASP 62 Cb -0.03 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 2iz3 h ASP 62 CO -0.06 0.80 -1.17 0.78 -1.72 0.00 0.00 179.24 177.87 2iz3 h ASN 63 N 0.63 0.00 -4.26 6.45 -0.26 -1.91 -3.47 115.58 112.76 2iz3 h ASN 63 Ca 0.14 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.35 2iz3 h ASN 63 Cb 0.38 0.00 -0.23 0.00 -1.06 0.00 0.00 38.32 37.41 2iz3 h ASN 63 CO 0.01 0.76 -0.82 0.00 -1.06 0.00 0.00 177.43 176.32 2iz3 s GLN 65 N -1.64 0.92 0.18 0.00 -2.07 -1.11 -3.89 119.66 112.05 2iz3 s GLN 65 Ca 0.05 -0.78 -0.28 0.00 -1.82 0.00 0.00 55.36 52.52 2iz3 s GLN 65 Cb -0.09 -0.93 -0.08 0.00 -1.09 0.00 0.00 33.01 30.82 2iz3 s GLN 65 CO 0.03 0.23 0.89 -0.98 -1.32 0.00 0.00 175.29 174.13 2iz3 s ARG 66 N -1.22 4.72 -0.10 9.60 1.70 -1.26 -2.79 118.95 129.61 2iz3 s ARG 66 Ca 0.01 1.36 0.02 0.00 -0.47 0.00 0.00 55.73 56.66 2iz3 s ARG 66 Cb -0.08 -3.30 -0.01 0.00 -0.57 0.00 0.00 34.95 30.99 2iz3 s ARG 66 CO 0.01 0.45 -0.18 0.42 -1.08 0.00 0.00 175.30 174.93 2iz3 s ILE 67 N -0.85 2.63 -0.30 4.99 -1.09 0.77 -4.94 121.20 122.41 2iz3 s ILE 67 Ca 0.41 -0.83 -0.21 0.00 -2.23 0.00 0.00 60.65 57.79 2iz3 s ILE 67 Cb -0.24 -2.05 -0.01 0.00 -1.58 0.00 0.00 42.46 38.58 2iz3 s ILE 67 CO 0.29 0.55 0.65 0.12 -1.23 0.00 0.00 174.94 175.33 2iz3 s PHE 68 N 0.14 3.21 -0.29 3.97 5.36 -1.26 -2.43 117.98 126.68 2iz3 s PHE 68 Ca -0.09 0.63 0.03 0.00 -0.96 0.00 0.00 56.93 56.54 2iz3 s PHE 68 Cb -0.16 -3.02 0.08 0.00 -0.34 0.00 0.00 43.02 39.58 2iz3 s PHE 68 CO 0.06 -0.48 -0.04 0.15 -1.46 0.00 0.00 175.22 173.45 2iz3 s LYS 69 N 2.66 1.89 0.17 10.12 3.01 -1.05 -4.99 119.74 131.54 2iz3 s LYS 69 Ca 0.26 -1.56 -0.10 0.00 -1.01 0.00 0.00 55.97 53.56 2iz3 s LYS 69 Cb -0.15 -3.01 0.05 0.00 -1.01 0.00 0.00 37.83 33.72 2iz3 s LYS 69 CO 0.12 -0.73 1.63 0.87 0.51 0.00 0.00 175.35 177.74 2iz3 h LYS 70 N 7.71 1.03 -1.32 1.68 1.57 -1.96 -0.38 116.57 124.90 2iz3 h LYS 70 Ca -0.13 -0.33 0.38 0.00 -1.87 0.00 0.00 60.65 58.71 2iz3 h LYS 70 Cb 1.03 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 33.17 2iz3 h LYS 70 CO 0.48 1.02 0.91 0.93 -0.57 0.00 0.00 179.45 182.22 2iz3 h GLU 71 N 0.91 0.09 0.00 3.15 5.08 -1.97 0.19 114.58 122.04 2iz3 h GLU 71 Ca 0.16 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2iz3 h GLU 71 Cb 0.56 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2iz3 h GLU 71 CO 0.03 0.06 -0.02 -0.25 -1.00 0.00 0.00 179.01 177.84 2iz3 n ASP 72 N -4.33 1.64 -3.71 1.42 8.00 -1.16 -5.04 116.55 113.37 2iz3 n ASP 72 Ca 0.31 -1.97 -0.26 0.00 0.71 0.00 0.00 54.79 53.58 2iz3 n ASP 72 Cb 1.34 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.38 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 -5.13 1.32 -0.11 0.00 -2.85 -1.02 -3.95 119.74 107.99 2iz3 s LYS 74 Ca 0.09 -0.59 -0.00 0.00 -1.00 0.00 0.00 55.97 54.47 2iz3 s LYS 74 Cb -0.05 0.54 -0.02 0.00 -2.06 0.00 0.00 37.83 36.24 2iz3 s LYS 74 CO 0.78 -0.59 -0.09 0.71 0.10 0.00 0.00 175.35 176.26 2iz3 s TYR 75 N -3.64 2.88 -0.04 1.78 2.02 -1.26 -2.54 117.35 116.55 2iz3 s TYR 75 Ca 0.05 -0.35 0.03 0.00 -0.37 0.00 0.00 57.07 56.43 2iz3 s TYR 75 Cb -0.02 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.72 2iz3 s TYR 75 CO -0.06 0.00 -0.12 0.96 -1.57 0.00 0.00 175.55 174.77 2iz3 s ILE 76 N -0.02 1.00 -0.20 2.71 -4.36 -1.02 -4.86 121.20 114.45 2iz3 s ILE 76 Ca -0.01 -0.47 -0.07 0.00 -0.26 0.00 0.00 60.65 59.84 2iz3 s ILE 76 Cb -0.14 -0.89 -0.04 0.00 1.25 0.00 0.00 42.46 42.65 2iz3 s ILE 76 CO 0.03 0.31 0.06 0.68 0.24 0.00 0.00 174.94 176.26 2iz3 s VAL 77 N 0.24 4.61 0.17 8.37 -7.23 -1.26 -0.16 120.40 125.13 2iz3 s VAL 77 Ca -0.05 -0.09 0.06 0.00 -1.81 0.00 0.00 61.98 60.09 2iz3 s VAL 77 Cb -0.11 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.69 2iz3 s VAL 77 CO 0.01 0.42 -0.12 0.68 -0.31 0.00 0.00 175.10 175.79 2iz3 s VAL 78 N 0.73 1.41 0.48 1.32 -7.23 -1.12 0.88 120.40 116.86 2iz3 s VAL 78 Ca 0.03 -2.08 -0.24 0.00 -1.81 0.00 0.00 61.98 57.88 2iz3 s VAL 78 Cb -0.13 -1.89 -0.07 0.00 0.56 0.00 0.00 36.38 34.85 2iz3 s VAL 78 CO 0.02 -0.65 1.31 -1.61 -0.31 0.00 0.00 175.10 173.86 2iz3 s GLU 79 N -3.59 3.57 0.06 4.82 2.02 -1.00 -2.75 118.70 121.83 2iz3 s GLU 79 Ca 0.18 2.14 -0.17 0.00 0.02 0.00 0.00 54.97 57.15 2iz3 s GLU 79 Cb 0.00 -2.48 -0.15 0.00 0.10 0.00 0.00 34.13 31.61 2iz3 s GLU 79 CO 0.03 -0.82 1.30 0.87 0.02 0.00 0.00 175.26 176.67 2iz3 h LYS 80 N 2.03 0.57 -0.72 1.61 1.57 -1.64 -2.83 116.57 117.16 2iz3 h LYS 80 Ca -0.50 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 57.86 2iz3 h LYS 80 Cb 1.27 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 2iz3 h LYS 80 CO 0.60 1.01 0.35 1.57 -0.57 0.00 0.00 179.45 182.42 2iz3 h LYS 81 N 0.22 1.01 -2.88 3.15 2.10 -1.92 -3.39 116.57 114.87 2iz3 h LYS 81 Ca -0.01 -0.13 -0.52 0.00 -2.00 0.00 0.00 60.65 57.99 2iz3 h LYS 81 Cb 1.03 -0.19 -0.40 0.00 -0.90 0.00 0.00 32.23 31.77 2iz3 h LYS 81 CO 0.09 0.77 -0.77 -0.51 -2.00 0.00 0.00 179.45 177.03 2iz3 s ASP 82 N -6.41 3.41 0.00 7.07 1.01 -1.20 -5.00 116.67 115.55 2iz3 s ASP 82 Ca -0.11 -1.22 0.23 0.00 0.71 0.00 0.00 52.55 52.16 2iz3 s ASP 82 Cb 0.17 -0.37 1.17 0.00 1.01 0.00 0.00 42.92 44.90 2iz3 s ASP 82 CO 0.80 -0.43 1.76 -0.81 0.21 0.00 0.00 175.17 176.71 2iz3 n PRO 83 N 5.23 0.33 0.07 8.23 -0.04 -1.07 -2.88 135.00 144.86 2iz3 n PRO 83 Ca -0.06 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.59 2iz3 n PRO 83 Cb 0.43 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.85 2iz3 n PRO 83 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2iz3 n LYS 84 N -1.28 0.13 -4.96 0.54 5.02 -1.26 -4.72 118.16 111.62 2iz3 n LYS 84 Ca 0.11 0.22 -0.32 0.00 -2.02 0.00 0.00 58.31 56.30 2iz3 n LYS 84 Cb 0.18 -1.69 -0.14 0.00 -0.02 0.00 0.00 35.03 33.37 2iz3 n LYS 84 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2iz3 s LYS 85 N -3.11 2.45 0.74 1.97 1.02 -1.14 -5.09 119.74 116.57 2iz3 s LYS 85 Ca 0.09 -0.74 -0.12 0.00 0.02 0.00 0.00 55.97 55.23 2iz3 s LYS 85 Cb 0.13 -2.32 0.03 0.00 -0.52 0.00 0.00 37.83 35.15 2iz3 s LYS 85 CO 0.46 0.61 1.12 0.95 -0.92 0.00 0.00 175.35 177.57 2iz3 s THR 86 N -0.69 3.10 0.05 2.17 -4.23 -1.26 -2.38 115.64 112.40 2iz3 s THR 86 Ca 0.11 0.36 0.05 0.00 -1.18 0.00 0.00 61.69 61.02 2iz3 s THR 86 Cb -0.11 -3.34 -0.04 0.00 1.34 0.00 0.00 72.50 70.36 2iz3 s THR 86 CO 0.00 -0.47 -0.06 0.00 -0.54 0.00 0.00 174.62 173.56 2iz3 s SER 88 N -1.84 6.01 -0.01 0.00 1.04 -1.26 -4.81 113.70 112.82 2iz3 s SER 88 Ca 0.20 2.13 -0.01 0.00 0.48 0.00 0.00 55.95 58.75 2iz3 s SER 88 Cb -0.11 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.44 2iz3 s SER 88 CO 0.12 -1.02 0.03 -0.69 0.98 0.00 0.00 173.24 172.65 2iz3 s VAL 89 N -1.78 -0.02 0.23 5.02 1.01 -1.26 -4.50 120.40 119.10 2iz3 s VAL 89 Ca 0.69 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.71 2iz3 s VAL 89 Cb -0.23 -0.06 0.09 0.00 0.00 0.00 0.00 36.38 36.18 2iz3 s VAL 89 CO 0.26 0.03 1.71 -1.28 0.00 0.00 0.00 175.10 175.82 2iz3 h SER 90 N 6.55 0.83 -4.85 3.32 0.87 -1.15 -3.47 113.55 115.65 2iz3 h SER 90 Ca -0.32 -0.23 0.21 0.00 -1.23 0.00 0.00 61.79 60.22 2iz3 h SER 90 Cb 1.18 -0.22 -0.14 0.00 -0.44 0.00 0.00 62.40 62.77 2iz3 h SER 90 CO 0.49 0.92 0.66 -1.83 -0.53 0.00 0.00 176.83 176.54 2iz3 s GLU 91 N -4.93 0.64 0.04 2.24 -1.05 -1.09 -5.05 118.70 109.51 2iz3 s GLU 91 Ca -0.10 -0.29 0.09 0.00 -0.15 0.00 0.00 54.97 54.52 2iz3 s GLU 91 Cb 0.14 0.26 -0.03 0.00 -0.44 0.00 0.00 34.13 34.07 2iz3 s GLU 91 CO 0.83 -0.29 -0.25 -1.58 0.95 0.00 0.00 175.26 174.92 2iz3 s TRP 92 N -2.80 2.19 -0.21 4.83 0.52 -1.26 -2.78 118.94 119.43 2iz3 s TRP 92 Ca 0.09 -0.40 -0.07 0.00 0.02 0.00 0.00 56.10 55.75 2iz3 s TRP 92 Cb 0.00 -1.31 -0.03 0.00 -1.15 0.00 0.00 33.47 30.98 2iz3 s TRP 92 CO -0.05 0.12 0.05 0.42 0.02 0.00 0.00 176.95 177.51 2iz3 s ILE 93 N -0.80 4.35 0.00 2.03 1.01 -0.95 -4.91 121.20 121.93 2iz3 s ILE 93 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2iz3 s ILE 93 Cb -0.10 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.38 2iz3 s ILE 93 CO 0.02 0.40 0.00 0.00 0.00 0.00 0.00 174.94 175.36