#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 1.34 0.09 -0.14 0.00 1.13 -0.78 -5.02 117.35 113.97 2iz3 s TYR 3 Ca -0.08 -0.30 -0.04 0.00 -1.41 0.00 0.00 57.07 55.25 2iz3 s TYR 3 Cb -0.05 -0.06 -0.03 0.00 -1.10 0.00 0.00 41.96 40.72 2iz3 s TYR 3 CO -0.15 -0.38 -0.02 -0.06 -2.51 0.00 0.00 175.55 172.43 2iz3 s PHE 4 N -2.28 3.06 -0.35 -3.49 0.08 -1.26 -2.01 117.98 111.73 2iz3 s PHE 4 Ca -0.07 -0.18 -0.03 0.00 0.12 0.00 0.00 56.93 56.77 2iz3 s PHE 4 Cb -0.03 -1.94 0.07 0.00 -0.57 0.00 0.00 43.02 40.56 2iz3 s PHE 4 CO -0.03 0.07 0.10 0.42 -0.10 0.00 0.00 175.22 175.69 2iz3 s ILE 5 N 0.14 3.27 0.56 0.64 -1.09 -0.66 -5.03 121.20 119.03 2iz3 s ILE 5 Ca -0.00 -1.59 -0.15 0.00 -2.23 0.00 0.00 60.65 56.67 2iz3 s ILE 5 Cb -0.13 -3.02 -0.06 0.00 -1.58 0.00 0.00 42.46 37.67 2iz3 s ILE 5 CO 0.02 -0.35 1.01 -2.16 -1.23 0.00 0.00 174.94 172.24 2iz3 s PRO 6 N 1.24 3.71 0.00 2.79 0.04 -1.26 -2.17 135.00 139.35 2iz3 s PRO 6 Ca 0.01 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.99 2iz3 s PRO 6 Cb -0.21 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2iz3 s PRO 6 CO -0.01 -0.47 1.16 -1.71 0.04 0.00 0.00 177.00 176.01 2iz3 n ASN 7 N -2.02 3.24 -0.60 6.66 2.85 -1.23 -3.18 115.26 120.98 2iz3 n ASN 7 Ca 0.07 -1.82 0.06 0.00 -0.11 0.00 0.00 54.58 52.77 2iz3 n ASN 7 Cb 0.54 -0.63 0.13 0.00 1.24 0.00 0.00 39.78 41.06 2iz3 n ASN 7 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2iz3 n GLU 8 N 1.10 2.37 0.00 1.20 1.02 -1.26 -4.86 120.64 120.21 2iz3 n GLU 8 Ca 0.00 -1.86 0.00 0.00 -0.02 0.00 0.00 57.16 55.28 2iz3 n GLU 8 Cb 0.39 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 2iz3 n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2iz3 n GLY 9 N 0.54 -1.06 3.83 0.62 0.00 -1.19 -5.16 105.19 102.77 2iz3 n GLY 9 Ca 0.10 0.33 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 2iz3 n GLY 9 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2iz3 s VAL 10 N 0.00 4.53 0.49 1.61 -7.23 -1.25 -4.92 120.40 113.63 2iz3 s VAL 10 Ca 0.00 1.22 -0.21 0.00 -1.81 0.00 0.00 61.98 61.18 2iz3 s VAL 10 Cb 0.00 -3.62 -0.07 0.00 0.56 0.00 0.00 36.38 33.25 2iz3 s VAL 10 CO 0.00 -0.24 1.12 -2.16 -0.31 0.00 0.00 175.10 173.51 2iz3 s PRO 11 N -3.04 3.64 -1.24 4.82 0.04 -1.26 -3.22 135.00 134.74 2iz3 s PRO 11 Ca 0.58 1.60 -0.03 0.00 0.04 0.00 0.00 61.00 63.19 2iz3 s PRO 11 Cb -0.10 -2.19 0.02 0.00 0.04 0.00 0.00 34.50 32.27 2iz3 s PRO 11 CO 0.15 -0.61 0.22 0.41 0.04 0.00 0.00 177.00 177.21 2iz3 n GLY 12 N 0.19 -0.50 3.70 0.56 0.00 -1.26 -4.86 105.19 103.01 2iz3 n GLY 12 Ca 0.09 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.05 2.84 0.00 1.61 -0.08 -1.20 -4.88 116.55 112.80 2iz3 n ASP 13 Ca -0.11 1.19 0.00 0.00 -1.51 0.00 0.00 54.79 54.36 2iz3 n ASP 13 Cb 0.60 -1.48 0.00 0.00 2.34 0.00 0.00 41.12 42.58 2iz3 n ASP 13 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2iz3 n SER 14 N 1.16 0.05 -0.84 1.67 2.88 -1.26 -4.87 113.62 112.42 2iz3 n SER 14 Ca 0.06 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.71 2iz3 n SER 14 Cb 0.35 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.90 2iz3 n SER 14 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2iz3 n THR 15 N -2.23 0.03 -0.07 2.46 -2.24 -1.26 -4.94 114.28 106.04 2iz3 n THR 15 Ca 0.00 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2iz3 n THR 15 Cb 0.02 1.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 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 1.17 0.00 0.00 -0.78 0.63 -1.26 -4.73 116.66 111.69 2iz3 n ARG 16 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 2iz3 n ARG 16 Cb 0.52 -3.39 0.00 0.00 0.45 0.00 0.00 32.46 30.04 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 -3.12 -0.14 5.02 -1.26 -4.94 118.16 111.71 2iz3 n LYS 17 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 2iz3 n LYS 17 Cb 0.00 -0.06 -0.00 0.00 -0.02 0.00 0.00 35.03 34.95 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 2.13 3.48 0.84 0.00 1.75 -1.26 -4.34 119.30 121.91 2iz3 s MET 19 Ca 0.15 -0.50 -0.11 0.00 -1.25 0.00 0.00 55.69 53.98 2iz3 s MET 19 Cb -0.04 -2.87 0.10 0.00 2.84 0.00 0.00 34.83 34.86 2iz3 s MET 19 CO -0.13 0.36 1.09 0.34 -0.65 0.00 0.00 175.02 176.03 2iz3 s ASP 20 N 0.05 3.98 0.57 1.11 2.15 -1.13 -4.92 116.67 118.48 2iz3 s ASP 20 Ca 0.00 1.48 0.34 0.00 0.43 0.00 0.00 52.55 54.81 2iz3 s ASP 20 Cb -0.13 -2.19 1.67 0.00 -0.30 0.00 0.00 42.92 41.96 2iz3 s ASP 20 CO 0.03 -2.32 2.11 -0.07 -0.17 0.00 0.00 175.17 174.75 2iz3 h LEU 21 N -1.33 0.00 -0.73 -1.34 4.07 -1.97 -2.57 115.31 111.44 2iz3 h LEU 21 Ca -0.48 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.41 2iz3 h LEU 21 Cb 1.27 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.98 2iz3 h LEU 21 CO 0.56 0.05 0.11 0.50 -1.08 0.00 0.00 178.44 178.58 2iz3 h LYS 22 N 0.00 1.08 0.00 1.13 1.63 -1.96 -3.46 116.57 114.98 2iz3 h LYS 22 Ca -0.00 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 2iz3 h LYS 22 Cb 0.33 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 2iz3 h LYS 22 CO 0.01 0.98 0.00 0.41 -3.45 0.00 0.00 179.45 177.40 2iz3 n GLY 23 N -0.61 1.52 3.71 5.01 0.00 -0.97 -5.12 105.19 108.73 2iz3 n GLY 23 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 5.36 0.46 1.61 0.02 -1.26 -4.96 114.94 114.17 2iz3 s ASN 24 Ca 0.00 0.16 -0.03 0.00 -1.02 0.00 0.00 52.86 51.97 2iz3 s ASN 24 Cb 0.00 -1.53 -0.02 0.00 0.02 0.00 0.00 41.25 39.72 2iz3 s ASN 24 CO 0.00 0.37 0.73 -0.54 0.02 0.00 0.00 177.10 177.67 2iz3 s LYS 25 N -1.01 3.31 -0.10 -0.60 1.02 -1.26 -2.83 119.74 118.26 2iz3 s LYS 25 Ca 0.15 -0.12 -0.12 0.00 0.02 0.00 0.00 55.97 55.90 2iz3 s LYS 25 Cb -0.11 -2.46 0.03 0.00 -0.52 0.00 0.00 37.83 34.76 2iz3 s LYS 25 CO 0.04 -0.23 0.32 -1.01 -0.92 0.00 0.00 175.35 173.55 2iz3 s HIS 26 N -2.65 -0.31 0.63 3.18 3.76 -1.26 -5.00 115.29 113.64 2iz3 s HIS 26 Ca 0.47 0.73 -0.14 0.00 -0.15 0.00 0.00 55.06 55.97 2iz3 s HIS 26 Cb -0.10 0.11 -0.02 0.00 1.11 0.00 0.00 32.58 33.68 2iz3 s HIS 26 CO 0.41 -0.22 1.06 -1.25 -0.85 0.00 0.00 174.74 173.89 2iz3 s PRO 27 N -0.16 3.17 0.97 8.40 0.04 -1.26 -4.94 135.00 141.22 2iz3 s PRO 27 Ca -0.03 1.14 -0.13 0.00 0.04 0.00 0.00 61.00 62.01 2iz3 s PRO 27 Cb -0.03 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.56 2iz3 s PRO 27 CO 0.01 -0.92 0.44 -0.89 0.04 0.00 0.00 177.00 175.67 2iz3 n ILE 28 N -2.39 0.00 -0.93 0.56 2.08 -1.26 -1.96 119.36 115.46 2iz3 n ILE 28 Ca 0.08 -0.19 0.00 0.00 0.56 0.00 0.00 62.75 63.20 2iz3 n ILE 28 Cb 0.53 -0.66 0.00 0.00 -0.75 0.00 0.00 39.64 38.76 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 -1.70 -4.30 -4.78 4.38 2.85 -1.13 -4.96 115.26 105.61 2iz3 n ASN 29 Ca 0.06 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.23 2iz3 n ASN 29 Cb 0.54 -2.63 -0.06 0.00 1.24 0.00 0.00 39.78 38.87 2iz3 n ASN 29 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2iz3 s SER 30 N -2.04 5.59 0.10 1.20 1.04 -0.83 -5.00 113.70 113.76 2iz3 s SER 30 Ca 0.00 0.03 0.10 0.00 0.48 0.00 0.00 55.95 56.56 2iz3 s SER 30 Cb 0.00 -1.53 -0.04 0.00 0.10 0.00 0.00 66.02 64.55 2iz3 s SER 30 CO 0.00 0.19 -0.26 -1.61 0.98 0.00 0.00 173.24 172.54 2iz3 s GLU 31 N -2.31 1.59 0.02 4.02 8.01 -1.26 -3.26 118.70 125.51 2iz3 s GLU 31 Ca 0.29 -1.25 0.00 0.00 0.01 0.00 0.00 54.97 54.03 2iz3 s GLU 31 Cb -0.12 -1.96 -0.02 0.00 -4.31 0.00 0.00 34.13 27.72 2iz3 s GLU 31 CO 0.21 0.48 -0.04 1.67 0.01 0.00 0.00 175.26 177.59 2iz3 s TRP 32 N -0.98 0.30 -0.19 1.61 -2.14 -1.01 -5.03 118.94 111.49 2iz3 s TRP 32 Ca 0.14 -0.49 -0.06 0.00 2.66 0.00 0.00 56.10 58.34 2iz3 s TRP 32 Cb -0.10 -0.21 -0.03 0.00 -3.10 0.00 0.00 33.47 30.03 2iz3 s TRP 32 CO 0.05 -0.16 0.04 -0.65 -2.66 0.00 0.00 176.95 173.57 2iz3 s GLN 33 N -1.38 3.80 0.28 3.25 -0.21 -1.26 -2.62 119.66 121.52 2iz3 s GLN 33 Ca -0.14 -0.43 0.05 0.00 0.02 0.00 0.00 55.36 54.85 2iz3 s GLN 33 Cb -0.09 -3.16 -0.06 0.00 1.00 0.00 0.00 33.01 30.69 2iz3 s GLN 33 CO -0.01 0.13 0.00 -0.08 -2.12 0.00 0.00 175.29 173.22 2iz3 s THR 34 N 0.72 1.28 0.00 -0.19 -1.32 0.01 -4.72 115.64 111.43 2iz3 s THR 34 Ca 0.02 -2.05 0.00 0.00 -1.21 0.00 0.00 61.69 58.45 2iz3 s THR 34 Cb -0.14 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 2iz3 s THR 34 CO 0.02 -0.21 0.00 -0.67 -2.21 0.00 0.00 174.62 171.55 2iz3 n ASP 35 N -0.56 -1.54 -3.08 8.08 -0.08 -1.26 -1.06 116.55 117.05 2iz3 n ASP 35 Ca -0.04 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.01 2iz3 n ASP 35 Cb 0.65 -2.30 0.03 0.00 2.34 0.00 0.00 41.12 41.84 2iz3 n ASP 35 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2iz3 n ASN 36 N -0.23 -5.68 0.00 1.67 3.02 -1.26 -4.60 115.26 108.17 2iz3 n ASN 36 Ca 0.00 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 2iz3 n ASN 36 Cb 0.12 -4.61 0.00 0.00 -0.61 0.00 0.00 39.78 34.68 2iz3 n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2iz3 s GLU 38 N 0.00 0.51 0.20 0.00 0.41 -0.22 -3.14 118.70 116.46 2iz3 s GLU 38 Ca 0.00 -0.58 0.02 0.00 -0.41 0.00 0.00 54.97 54.00 2iz3 s GLU 38 Cb 0.00 0.20 -0.05 0.00 -1.78 0.00 0.00 34.13 32.50 2iz3 s GLU 38 CO 0.00 -0.12 0.01 0.99 -0.49 0.00 0.00 175.26 175.65 2iz3 s THR 39 N -1.93 0.76 -0.15 3.63 2.01 -0.41 -0.81 115.64 118.74 2iz3 s THR 39 Ca -0.11 -2.00 -0.31 0.00 0.31 0.00 0.00 61.69 59.59 2iz3 s THR 39 Cb -0.05 -2.25 0.13 0.00 0.01 0.00 0.00 72.50 70.34 2iz3 s THR 39 CO -0.01 -0.37 1.08 0.00 -0.69 0.00 0.00 174.62 174.63 2iz3 s THR 41 N -1.80 2.28 -0.11 0.00 2.01 -0.77 -2.41 115.64 114.84 2iz3 s THR 41 Ca 0.04 -2.04 0.00 0.00 0.31 0.00 0.00 61.69 59.99 2iz3 s THR 41 Cb -0.01 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 2iz3 s THR 41 CO -0.03 -0.17 -0.10 0.00 -0.69 0.00 0.00 174.62 173.63 2iz3 s TYR 43 N -0.13 2.17 0.14 0.00 2.02 0.24 -2.82 117.35 118.97 2iz3 s TYR 43 Ca 0.00 -0.77 -0.24 0.00 -0.37 0.00 0.00 57.07 55.69 2iz3 s TYR 43 Cb -0.13 -1.41 -0.01 0.00 -0.40 0.00 0.00 41.96 40.01 2iz3 s TYR 43 CO 0.03 0.25 1.28 0.39 -1.57 0.00 0.00 175.55 175.93 2iz3 n GLU 44 N -0.76 -0.33 -2.66 -0.62 1.02 -1.26 -3.15 120.64 112.88 2iz3 n GLU 44 Ca -0.04 1.25 -0.00 0.00 -0.02 0.00 0.00 57.16 58.35 2iz3 n GLU 44 Cb 0.66 -1.85 0.05 0.00 -0.02 0.00 0.00 31.44 30.28 2iz3 n GLU 44 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2iz3 n THR 45 N -5.07 1.16 -3.59 2.62 -2.24 -1.26 -5.00 114.28 100.90 2iz3 n THR 45 Ca 0.03 -2.73 -0.16 0.00 -2.27 0.00 0.00 64.05 58.91 2iz3 n THR 45 Cb 0.24 1.21 -0.07 0.00 -2.10 0.00 0.00 70.33 69.61 2iz3 n THR 45 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2iz3 s GLU 46 N -3.36 0.94 -0.01 -0.78 2.56 -1.19 -3.52 118.70 113.34 2iz3 s GLU 46 Ca 0.28 0.11 0.03 0.00 0.00 0.00 0.00 54.97 55.39 2iz3 s GLU 46 Cb 0.33 0.44 -0.00 0.00 2.00 0.00 0.00 34.13 36.89 2iz3 s GLU 46 CO -0.05 -0.29 -0.09 0.42 -0.56 0.00 0.00 175.26 174.69 2iz3 s ILE 47 N -1.26 0.73 -0.14 -3.70 1.01 -0.92 -0.59 121.20 116.33 2iz3 s ILE 47 Ca -0.12 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 2iz3 s ILE 47 Cb -0.02 -0.63 0.03 0.00 0.01 0.00 0.00 42.46 41.86 2iz3 s ILE 47 CO 0.08 0.21 -0.09 -0.94 0.00 0.00 0.00 174.94 174.21 2iz3 s SER 48 N -0.10 2.54 0.03 3.58 1.04 -1.16 -1.65 113.70 117.98 2iz3 s SER 48 Ca 0.02 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 56.02 2iz3 s SER 48 Cb -0.05 -0.96 -0.03 0.00 0.10 0.00 0.00 66.02 65.07 2iz3 s SER 48 CO -0.00 -0.12 -0.10 0.00 0.98 0.00 0.00 173.24 173.99 2iz3 s THR 51 N 0.29 3.42 -0.40 0.00 -1.32 -0.70 -1.29 115.64 115.64 2iz3 s THR 51 Ca -0.01 0.46 0.23 0.00 -1.21 0.00 0.00 61.69 61.16 2iz3 s THR 51 Cb -0.03 -3.36 -0.09 0.00 -1.51 0.00 0.00 72.50 67.51 2iz3 s THR 51 CO -0.01 -0.60 0.98 0.18 -2.21 0.00 0.00 174.62 172.96 2iz3 n LEU 52 N -3.14 0.61 -4.75 9.08 4.77 -1.19 -4.82 117.00 117.57 2iz3 n LEU 52 Ca 0.07 0.13 -0.40 0.00 -0.03 0.00 0.00 56.01 55.77 2iz3 n LEU 52 Cb 0.57 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 2iz3 n LEU 52 CO 0.57 -0.05 0.72 0.68 -1.33 0.00 0.00 177.39 177.98 2iz3 s VAL 53 N -3.30 3.89 0.31 4.08 -7.23 -1.26 -4.91 120.40 111.97 2iz3 s VAL 53 Ca 0.01 1.82 -0.08 0.00 -1.81 0.00 0.00 61.98 61.91 2iz3 s VAL 53 Cb 0.13 -4.16 -0.06 0.00 0.56 0.00 0.00 36.38 32.85 2iz3 s VAL 53 CO 0.81 0.40 0.63 -0.94 -0.31 0.00 0.00 175.10 175.68 2iz3 s SER 54 N -0.78 6.54 -0.15 4.85 1.04 -1.26 -4.88 113.70 119.06 2iz3 s SER 54 Ca 0.44 0.93 -0.04 0.00 0.48 0.00 0.00 55.95 57.75 2iz3 s SER 54 Cb -0.28 -2.23 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 2iz3 s SER 54 CO 0.35 -0.22 0.00 -0.89 0.98 0.00 0.00 173.24 173.47 2iz3 s THR 55 N -2.08 4.28 0.14 2.02 2.01 -0.89 -3.79 115.64 117.33 2iz3 s THR 55 Ca 0.48 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 2iz3 s THR 55 Cb -0.11 -2.88 -0.07 0.00 0.01 0.00 0.00 72.50 69.46 2iz3 s THR 55 CO 0.27 0.51 1.02 -2.16 -0.69 0.00 0.00 174.62 173.57 2iz3 s PRO 56 N 0.08 4.66 -0.05 4.92 0.04 -1.26 -2.24 135.00 141.14 2iz3 s PRO 56 Ca 0.02 1.56 -0.19 0.00 0.04 0.00 0.00 61.00 62.43 2iz3 s PRO 56 Cb -0.13 -3.33 0.04 0.00 0.04 0.00 0.00 34.50 31.12 2iz3 s PRO 56 CO 0.02 0.17 0.43 0.54 0.04 0.00 0.00 177.00 178.19 2iz3 s VAL 57 N -0.13 0.03 0.00 -0.36 0.11 -1.14 -4.92 120.40 114.00 2iz3 s VAL 57 Ca 0.48 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 2iz3 s VAL 57 Cb -0.26 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 2iz3 s VAL 57 CO 0.32 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.55 2iz3 n GLY 58 N 1.45 0.67 3.31 6.54 0.00 -1.26 -2.96 105.19 112.94 2iz3 n GLY 58 Ca -0.20 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.11 1.49 -0.70 1.61 1.13 -1.26 -2.78 117.35 114.73 2iz3 s TYR 59 Ca 0.00 -0.93 -0.26 0.00 -1.41 0.00 0.00 57.07 54.47 2iz3 s TYR 59 Cb 0.00 -0.85 0.00 0.00 -1.10 0.00 0.00 41.96 40.01 2iz3 s TYR 59 CO 0.00 -0.06 1.58 0.34 -2.51 0.00 0.00 175.55 174.90 2iz3 s ASP 60 N -3.28 5.72 0.06 -0.18 -1.08 -1.26 -4.81 116.67 111.84 2iz3 s ASP 60 Ca 0.27 -0.15 0.18 0.00 -0.52 0.00 0.00 52.55 52.33 2iz3 s ASP 60 Cb 0.05 -2.55 0.76 0.00 -1.46 0.00 0.00 42.92 39.72 2iz3 s ASP 60 CO 0.08 -2.11 1.57 0.29 0.52 0.00 0.00 175.17 175.51 2iz3 n LYS 61 N 9.25 0.05 0.02 4.34 5.02 -1.26 -0.91 118.16 134.66 2iz3 n LYS 61 Ca 0.14 0.26 -0.16 0.00 -2.02 0.00 0.00 58.31 56.53 2iz3 n LYS 61 Cb 0.50 -1.58 -0.14 0.00 -0.02 0.00 0.00 35.03 33.79 2iz3 n LYS 61 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2iz3 h ASP 62 N 0.00 0.29 0.13 4.39 3.32 -2.03 -3.38 116.42 119.14 2iz3 h ASP 62 Ca 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.49 2iz3 h ASP 62 Cb 0.31 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2iz3 h ASP 62 CO 0.00 1.49 -1.57 0.59 -1.72 0.00 0.00 179.24 178.03 2iz3 n ASN 63 N -3.35 0.37 -4.19 6.45 3.02 -1.15 -4.95 115.26 111.46 2iz3 n ASN 63 Ca -0.23 -0.24 -0.20 0.00 -0.03 0.00 0.00 54.58 53.89 2iz3 n ASN 63 Cb 1.05 1.50 -0.12 0.00 -0.61 0.00 0.00 39.78 41.60 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 -1.74 1.21 0.15 0.00 -2.07 -1.05 -4.25 119.66 111.91 2iz3 s GLN 65 Ca -0.00 -0.62 -0.30 0.00 -1.82 0.00 0.00 55.36 52.62 2iz3 s GLN 65 Cb -0.10 -1.19 -0.07 0.00 -1.09 0.00 0.00 33.01 30.56 2iz3 s GLN 65 CO 0.03 0.32 0.96 -0.98 -1.32 0.00 0.00 175.29 174.29 2iz3 s ARG 66 N -0.57 4.75 -0.09 9.60 1.70 -1.26 -2.96 118.95 130.12 2iz3 s ARG 66 Ca 0.05 1.47 0.03 0.00 -0.47 0.00 0.00 55.73 56.81 2iz3 s ARG 66 Cb -0.07 -3.35 -0.01 0.00 -0.57 0.00 0.00 34.95 30.96 2iz3 s ARG 66 CO -0.00 0.31 -0.19 0.42 -1.08 0.00 0.00 175.30 174.75 2iz3 s ILE 67 N -0.37 2.54 -0.27 4.99 -1.09 0.14 -4.94 121.20 122.19 2iz3 s ILE 67 Ca 0.45 -0.88 -0.19 0.00 -2.23 0.00 0.00 60.65 57.81 2iz3 s ILE 67 Cb -0.24 -1.99 -0.02 0.00 -1.58 0.00 0.00 42.46 38.63 2iz3 s ILE 67 CO 0.31 0.56 0.55 0.12 -1.23 0.00 0.00 174.94 175.24 2iz3 s PHE 68 N -0.02 3.26 -0.30 3.97 5.36 -1.26 -2.26 117.98 126.73 2iz3 s PHE 68 Ca -0.06 0.64 0.03 0.00 -0.96 0.00 0.00 56.93 56.58 2iz3 s PHE 68 Cb -0.15 -2.79 0.07 0.00 -0.34 0.00 0.00 43.02 39.82 2iz3 s PHE 68 CO 0.05 -0.33 -0.04 0.15 -1.46 0.00 0.00 175.22 173.59 2iz3 s LYS 69 N 2.39 1.99 0.16 10.12 3.01 -1.11 -4.99 119.74 131.31 2iz3 s LYS 69 Ca 0.22 -1.54 -0.12 0.00 -1.01 0.00 0.00 55.97 53.53 2iz3 s LYS 69 Cb -0.15 -3.04 0.05 0.00 -1.01 0.00 0.00 37.83 33.67 2iz3 s LYS 69 CO 0.10 -0.71 1.67 0.87 0.51 0.00 0.00 175.35 177.78 2iz3 h LYS 70 N 7.75 0.87 -0.45 1.68 1.57 -1.96 -0.22 116.57 125.80 2iz3 h LYS 70 Ca -0.14 -0.21 0.13 0.00 -1.87 0.00 0.00 60.65 58.56 2iz3 h LYS 70 Cb 1.04 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 2iz3 h LYS 70 CO 0.49 0.82 0.49 1.49 -0.57 0.00 0.00 179.45 182.18 2iz3 h GLU 71 N 0.77 0.00 0.00 3.15 4.81 -1.97 0.50 114.58 121.84 2iz3 h GLU 71 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2iz3 h GLU 71 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2iz3 h GLU 71 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.03 2iz3 n ASP 72 N -3.67 1.66 -3.80 1.04 8.00 -1.08 -5.03 116.55 113.67 2iz3 n ASP 72 Ca 0.08 -1.73 -0.30 0.00 0.71 0.00 0.00 54.79 53.56 2iz3 n ASP 72 Cb 0.68 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.78 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 -5.77 1.22 -0.15 0.00 -2.85 -1.12 -4.22 119.74 106.85 2iz3 s LYS 74 Ca 0.21 -0.59 -0.03 0.00 -1.00 0.00 0.00 55.97 54.56 2iz3 s LYS 74 Cb -0.12 0.47 -0.03 0.00 -2.06 0.00 0.00 37.83 36.10 2iz3 s LYS 74 CO 0.76 -0.55 -0.05 0.71 0.10 0.00 0.00 175.35 176.33 2iz3 s TYR 75 N -3.45 3.00 -0.02 1.78 2.02 -1.25 -2.73 117.35 116.70 2iz3 s TYR 75 Ca 0.08 -0.35 0.06 0.00 -0.37 0.00 0.00 57.07 56.48 2iz3 s TYR 75 Cb -0.02 -1.95 -0.01 0.00 -0.40 0.00 0.00 41.96 39.58 2iz3 s TYR 75 CO -0.03 -0.07 -0.19 0.96 -1.57 0.00 0.00 175.55 174.65 2iz3 s ILE 76 N 0.39 1.54 -0.14 2.71 -4.36 -0.96 -4.79 121.20 115.59 2iz3 s ILE 76 Ca -0.05 -0.82 -0.02 0.00 -0.26 0.00 0.00 60.65 59.50 2iz3 s ILE 76 Cb -0.14 -1.28 -0.02 0.00 1.25 0.00 0.00 42.46 42.26 2iz3 s ILE 76 CO 0.03 0.43 -0.08 0.68 0.24 0.00 0.00 174.94 176.25 2iz3 s VAL 77 N -0.39 3.52 0.18 8.37 -7.23 -1.26 0.23 120.40 123.82 2iz3 s VAL 77 Ca 0.06 -0.49 0.04 0.00 -1.81 0.00 0.00 61.98 59.78 2iz3 s VAL 77 Cb -0.08 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.30 2iz3 s VAL 77 CO -0.00 0.51 -0.07 0.68 -0.31 0.00 0.00 175.10 175.90 2iz3 s VAL 78 N 0.35 1.16 0.51 1.32 -7.23 -1.15 0.62 120.40 115.97 2iz3 s VAL 78 Ca -0.07 -2.06 -0.22 0.00 -1.81 0.00 0.00 61.98 57.82 2iz3 s VAL 78 Cb -0.15 -2.02 -0.06 0.00 0.56 0.00 0.00 36.38 34.71 2iz3 s VAL 78 CO 0.04 -0.60 1.26 -1.61 -0.31 0.00 0.00 175.10 173.89 2iz3 s GLU 79 N -3.78 3.40 0.09 4.82 0.41 -0.83 -2.54 118.70 120.27 2iz3 s GLU 79 Ca 0.21 2.01 -0.15 0.00 -0.41 0.00 0.00 54.97 56.62 2iz3 s GLU 79 Cb 0.03 -2.30 -0.12 0.00 -1.78 0.00 0.00 34.13 29.96 2iz3 s GLU 79 CO 0.04 -0.91 1.35 0.87 -0.49 0.00 0.00 175.26 176.12 2iz3 h LYS 80 N 1.69 0.68 -0.65 1.61 1.57 -1.67 -2.15 116.57 117.64 2iz3 h LYS 80 Ca -0.50 -0.43 -0.05 0.00 -1.87 0.00 0.00 60.65 57.80 2iz3 h LYS 80 Cb 1.28 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 2iz3 h LYS 80 CO 0.58 1.05 0.23 0.87 -0.57 0.00 0.00 179.45 181.61 2iz3 h LYS 81 N 0.39 1.00 -2.82 3.15 1.57 -1.92 -3.37 116.57 114.56 2iz3 h LYS 81 Ca 0.01 -0.20 -0.60 0.00 -1.87 0.00 0.00 60.65 57.99 2iz3 h LYS 81 Cb 1.02 -0.15 -0.40 0.00 0.08 0.00 0.00 32.23 32.78 2iz3 h LYS 81 CO 0.09 0.86 -0.78 -0.51 -0.57 0.00 0.00 179.45 178.54 2iz3 s ASP 82 N -6.23 3.30 0.32 0.86 1.11 -1.21 -4.98 116.67 109.84 2iz3 s ASP 82 Ca -0.13 -2.62 0.20 0.00 0.18 0.00 0.00 52.55 50.18 2iz3 s ASP 82 Cb 0.14 -0.84 1.07 0.00 1.07 0.00 0.00 42.92 44.36 2iz3 s ASP 82 CO 0.82 -0.26 1.58 -2.65 1.18 0.00 0.00 175.17 175.84 2iz3 n PRO 83 N 3.51 0.13 -0.18 8.23 -0.02 -0.81 -1.71 135.00 144.15 2iz3 n PRO 83 Ca 0.12 0.62 -0.11 0.00 -2.02 0.00 0.00 63.50 62.12 2iz3 n PRO 83 Cb 0.37 -1.98 0.01 0.00 -0.02 0.00 0.00 33.50 31.88 2iz3 n PRO 83 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2iz3 h LYS 84 N 0.00 1.02 -6.47 -0.52 1.57 -1.94 -3.43 116.57 106.81 2iz3 h LYS 84 Ca 0.00 -0.40 -0.53 0.00 -1.87 0.00 0.00 60.65 57.85 2iz3 h LYS 84 Cb 0.11 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2iz3 h LYS 84 CO 0.00 1.09 0.23 0.21 -0.57 0.00 0.00 179.45 180.41 2iz3 s LYS 85 N -4.78 4.60 0.67 3.15 2.20 -0.70 -5.01 119.74 119.87 2iz3 s LYS 85 Ca -0.12 1.22 -0.11 0.00 -0.36 0.00 0.00 55.97 56.60 2iz3 s LYS 85 Cb 0.13 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 33.11 2iz3 s LYS 85 CO 0.87 0.37 1.06 0.95 -0.36 0.00 0.00 175.35 178.25 2iz3 s THR 86 N -0.47 4.06 -0.04 3.43 -4.23 -1.26 -1.96 115.64 115.17 2iz3 s THR 86 Ca 0.40 0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 61.57 2iz3 s THR 86 Cb -0.22 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 2iz3 s THR 86 CO 0.26 -0.87 0.02 0.00 -0.54 0.00 0.00 174.62 173.49 2iz3 s SER 88 N -1.30 6.92 -0.03 0.00 0.15 -1.26 -4.82 113.70 113.36 2iz3 s SER 88 Ca 0.18 2.48 0.02 0.00 0.70 0.00 0.00 55.95 59.33 2iz3 s SER 88 Cb -0.12 -2.64 0.01 0.00 -1.71 0.00 0.00 66.02 61.57 2iz3 s SER 88 CO 0.08 -0.41 -0.07 -0.69 1.20 0.00 0.00 173.24 173.34 2iz3 s VAL 89 N -1.19 0.63 0.22 4.45 1.01 -1.26 -4.48 120.40 119.78 2iz3 s VAL 89 Ca 0.48 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 2iz3 s VAL 89 Cb -0.36 -0.58 0.07 0.00 0.00 0.00 0.00 36.38 35.52 2iz3 s VAL 89 CO 0.46 0.21 1.68 0.28 0.00 0.00 0.00 175.10 177.74 2iz3 h SER 90 N 6.53 0.85 -5.38 3.32 0.02 -1.47 -3.48 113.55 113.95 2iz3 h SER 90 Ca -0.34 -0.25 0.25 0.00 -0.84 0.00 0.00 61.79 60.62 2iz3 h SER 90 Cb 1.17 -0.23 -0.12 0.00 0.14 0.00 0.00 62.40 63.36 2iz3 h SER 90 CO 0.49 0.96 0.69 -1.83 -1.14 0.00 0.00 176.83 175.99 2iz3 s GLU 91 N -4.87 0.69 0.10 3.45 -1.05 -1.15 -5.06 118.70 110.80 2iz3 s GLU 91 Ca -0.10 -0.36 0.09 0.00 -0.15 0.00 0.00 54.97 54.45 2iz3 s GLU 91 Cb 0.14 0.25 -0.03 0.00 -0.44 0.00 0.00 34.13 34.04 2iz3 s GLU 91 CO 0.83 -0.31 -0.23 -1.58 0.95 0.00 0.00 175.26 174.92 2iz3 s TRP 92 N -2.77 2.00 -0.20 4.83 0.52 -1.26 -2.90 118.94 119.16 2iz3 s TRP 92 Ca 0.12 -0.40 -0.08 0.00 0.02 0.00 0.00 56.10 55.77 2iz3 s TRP 92 Cb 0.02 -1.11 -0.04 0.00 -1.15 0.00 0.00 33.47 31.18 2iz3 s TRP 92 CO -0.02 0.23 0.07 0.42 0.02 0.00 0.00 176.95 177.66 2iz3 s ILE 93 N -1.05 4.71 0.00 2.03 1.01 -0.95 -4.91 121.20 122.04 2iz3 s ILE 93 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2iz3 s ILE 93 Cb -0.10 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.23 2iz3 s ILE 93 CO 0.04 0.42 0.00 0.00 0.00 0.00 0.00 174.94 175.40