#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 -0.06 1.76 -0.02 0.00 1.13 -0.33 -5.00 117.35 114.83 2iz3 s TYR 3 Ca -0.03 -1.51 0.05 0.00 -1.41 0.00 0.00 57.07 54.17 2iz3 s TYR 3 Cb 0.00 -0.91 -0.01 0.00 -1.10 0.00 0.00 41.96 39.94 2iz3 s TYR 3 CO 0.08 -0.62 -0.16 -0.06 -2.51 0.00 0.00 175.55 172.28 2iz3 s PHE 4 N -3.34 1.44 -0.25 -3.49 0.08 -1.26 -2.34 117.98 108.82 2iz3 s PHE 4 Ca 0.32 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 57.09 2iz3 s PHE 4 Cb 0.02 -0.94 0.06 0.00 -0.57 0.00 0.00 43.02 41.59 2iz3 s PHE 4 CO 0.22 -0.06 -0.07 0.42 -0.10 0.00 0.00 175.22 175.63 2iz3 s ILE 5 N -0.25 1.83 0.17 0.64 -1.09 -0.28 -5.01 121.20 117.21 2iz3 s ILE 5 Ca 0.04 -1.45 -0.30 0.00 -2.23 0.00 0.00 60.65 56.70 2iz3 s ILE 5 Cb -0.07 -2.04 -0.08 0.00 -1.58 0.00 0.00 42.46 38.69 2iz3 s ILE 5 CO -0.00 -0.10 1.11 -2.16 -1.23 0.00 0.00 174.94 172.56 2iz3 s PRO 6 N 1.25 4.58 0.00 2.79 0.04 -1.26 -0.76 135.00 141.64 2iz3 s PRO 6 Ca -0.06 1.73 -0.07 0.00 0.04 0.00 0.00 61.00 62.64 2iz3 s PRO 6 Cb -0.19 -3.28 -0.09 0.00 0.04 0.00 0.00 34.50 30.98 2iz3 s PRO 6 CO -0.06 0.05 1.11 0.09 0.04 0.00 0.00 177.00 178.23 2iz3 n ASN 7 N 2.42 0.22 0.00 6.66 5.03 -0.96 -1.25 115.26 127.37 2iz3 n ASN 7 Ca 0.03 -2.07 0.00 0.00 0.87 0.00 0.00 54.58 53.41 2iz3 n ASN 7 Cb 0.46 -0.49 0.00 0.00 -1.02 0.00 0.00 39.78 38.73 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 5.61 0.00 -0.28 3.52 2.13 -1.26 -4.93 120.64 125.42 2iz3 n GLU 8 Ca 0.11 0.00 0.08 0.00 0.66 0.00 0.00 57.16 58.00 2iz3 n GLU 8 Cb 0.10 0.00 0.13 0.00 0.27 0.00 0.00 31.44 31.94 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 -0.51 4.28 3.81 8.31 0.00 -0.38 -4.84 105.19 115.85 2iz3 n GLY 9 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.51 2.84 0.03 1.61 -7.23 -1.23 -4.92 120.40 108.98 2iz3 s VAL 10 Ca 0.30 0.27 -0.36 0.00 -1.81 0.00 0.00 61.98 60.38 2iz3 s VAL 10 Cb 0.27 -3.04 -0.15 0.00 0.56 0.00 0.00 36.38 34.03 2iz3 s VAL 10 CO -0.00 -0.36 1.57 -2.65 -0.31 0.00 0.00 175.10 173.36 2iz3 n PRO 11 N -3.48 1.67 -4.07 4.82 -0.02 -1.26 -1.70 135.00 130.96 2iz3 n PRO 11 Ca 0.07 0.61 -0.28 0.00 -2.02 0.00 0.00 63.50 61.88 2iz3 n PRO 11 Cb 0.57 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 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 3.40 -0.21 3.68 -1.23 0.00 -1.26 -4.83 105.19 104.74 2iz3 n GLY 12 Ca 0.20 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 2iz3 n GLY 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2iz3 s ASP 13 N -4.31 6.64 0.35 1.61 -1.08 -0.69 -4.62 116.67 114.57 2iz3 s ASP 13 Ca 0.05 2.41 0.00 0.00 -0.52 0.00 0.00 52.55 54.49 2iz3 s ASP 13 Cb -0.03 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 2iz3 s ASP 13 CO 0.92 -0.88 0.00 -1.54 0.52 0.00 0.00 175.17 174.19 2iz3 n SER 14 N 5.95 -3.15 0.11 -0.34 3.41 -1.26 -4.95 113.62 113.39 2iz3 n SER 14 Ca 0.16 0.81 0.01 0.00 -0.26 0.00 0.00 58.87 59.58 2iz3 n SER 14 Cb 0.41 3.05 0.32 0.00 -0.26 0.00 0.00 64.21 67.73 2iz3 n SER 14 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2iz3 h THR 15 N 0.00 1.24 -5.41 6.66 1.35 -1.99 -3.48 112.91 111.28 2iz3 h THR 15 Ca 0.00 -1.14 -0.03 0.00 -0.55 0.00 0.00 66.41 64.70 2iz3 h THR 15 Cb 0.00 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 2iz3 h THR 15 CO 0.00 0.34 -0.85 -1.14 -0.25 0.00 0.00 175.52 173.63 2iz3 n ARG 16 N -4.15 -2.71 -0.22 4.72 0.63 -1.26 -4.98 116.66 108.68 2iz3 n ARG 16 Ca -0.01 2.28 0.00 0.00 -0.92 0.00 0.00 57.85 59.20 2iz3 n ARG 16 Cb 0.37 -4.84 0.00 0.00 0.45 0.00 0.00 32.46 28.44 2iz3 n ARG 16 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2iz3 n LYS 17 N 0.36 0.00 -3.40 -0.14 4.81 -1.26 -5.08 118.16 113.46 2iz3 n LYS 17 Ca 0.03 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.18 2iz3 n LYS 17 Cb 0.25 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.33 2iz3 n LYS 17 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2iz3 s MET 19 N -2.04 2.19 0.82 0.00 0.00 -1.26 -4.15 119.30 114.86 2iz3 s MET 19 Ca 0.28 -0.79 -0.12 0.00 0.00 0.00 0.00 55.69 55.06 2iz3 s MET 19 Cb -0.03 -1.90 0.09 0.00 0.00 0.00 0.00 34.83 32.99 2iz3 s MET 19 CO 0.64 0.35 1.19 0.34 0.00 0.00 0.00 175.02 177.54 2iz3 s ASP 20 N -0.14 4.38 0.61 1.11 2.15 -1.24 -4.93 116.67 118.62 2iz3 s ASP 20 Ca -0.02 0.74 0.41 0.00 0.43 0.00 0.00 52.55 54.11 2iz3 s ASP 20 Cb -0.12 -1.19 2.15 0.00 -0.30 0.00 0.00 42.92 43.45 2iz3 s ASP 20 CO 0.03 -1.98 2.25 0.25 -0.17 0.00 0.00 175.17 175.54 2iz3 h LEU 21 N -1.11 0.00 -0.87 -1.34 5.85 -1.97 -1.97 115.31 113.91 2iz3 h LEU 21 Ca -0.46 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 2iz3 h LEU 21 Cb 1.32 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 2iz3 h LEU 21 CO 0.64 0.00 0.11 0.11 -0.34 0.00 0.00 178.44 178.96 2iz3 h LYS 22 N 0.00 0.95 0.00 1.25 1.79 -1.96 -3.46 116.57 115.14 2iz3 h LYS 22 Ca 0.00 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2iz3 h LYS 22 Cb 0.09 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 2iz3 h LYS 22 CO 0.00 0.87 0.00 0.41 -1.08 0.00 0.00 179.45 179.65 2iz3 n GLY 23 N -0.72 1.02 3.82 3.86 0.00 -0.74 -5.09 105.19 107.35 2iz3 n GLY 23 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.98 6.78 0.71 1.61 0.02 -1.26 -4.97 114.94 115.85 2iz3 s ASN 24 Ca 0.00 0.92 -0.11 0.00 -1.02 0.00 0.00 52.86 52.65 2iz3 s ASN 24 Cb 0.00 -2.25 0.02 0.00 0.02 0.00 0.00 41.25 39.04 2iz3 s ASN 24 CO 0.00 0.29 1.10 -1.59 0.02 0.00 0.00 177.10 176.92 2iz3 s LYS 25 N -0.87 2.84 -0.35 -0.60 -2.85 -1.26 -3.67 119.74 112.98 2iz3 s LYS 25 Ca 0.23 0.48 0.03 0.00 -1.00 0.00 0.00 55.97 55.71 2iz3 s LYS 25 Cb -0.16 -2.02 0.16 0.00 -2.06 0.00 0.00 37.83 33.75 2iz3 s LYS 25 CO 0.12 -1.05 0.39 -1.01 0.10 0.00 0.00 175.35 173.90 2iz3 s HIS 26 N -3.34 -0.51 1.15 1.78 3.76 -1.26 -5.01 115.29 111.86 2iz3 s HIS 26 Ca 0.58 -0.53 -0.17 0.00 -0.15 0.00 0.00 55.06 54.80 2iz3 s HIS 26 Cb -0.11 -0.33 0.24 0.00 1.11 0.00 0.00 32.58 33.49 2iz3 s HIS 26 CO 0.52 -0.98 0.51 -2.30 -0.85 0.00 0.00 174.74 171.64 2iz3 n PRO 27 N 4.52 -3.04 -2.08 8.40 -0.02 -1.26 -4.69 135.00 136.83 2iz3 n PRO 27 Ca 0.08 -0.90 -0.40 0.00 -2.02 0.00 0.00 63.50 60.27 2iz3 n PRO 27 Cb 0.47 -1.63 -0.01 0.00 -0.02 0.00 0.00 33.50 32.31 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 -2.10 2.68 0.00 4.25 -1.09 -1.26 -2.03 121.20 121.64 2iz3 s ILE 28 Ca 0.46 0.62 0.00 0.00 -2.23 0.00 0.00 60.65 59.50 2iz3 s ILE 28 Cb -0.09 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.43 2iz3 s ILE 28 CO 0.41 0.10 0.00 -3.20 -1.23 0.00 0.00 174.94 171.02 2iz3 n ASN 29 N 0.24 -0.51 -4.72 3.58 2.85 -1.16 -4.99 115.26 110.56 2iz3 n ASN 29 Ca 0.03 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.14 2iz3 n ASN 29 Cb 0.43 -0.61 -0.08 0.00 1.24 0.00 0.00 39.78 40.77 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 -2.68 6.30 0.07 1.20 0.15 -0.86 -5.01 113.70 112.87 2iz3 s SER 30 Ca 0.00 0.34 0.05 0.00 0.70 0.00 0.00 55.95 57.04 2iz3 s SER 30 Cb 0.00 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 2iz3 s SER 30 CO 0.00 0.11 -0.04 -1.61 1.20 0.00 0.00 173.24 172.90 2iz3 s GLU 31 N 0.57 2.44 0.02 5.44 2.02 -1.26 -3.49 118.70 124.43 2iz3 s GLU 31 Ca 0.12 -0.85 -0.03 0.00 0.02 0.00 0.00 54.97 54.23 2iz3 s GLU 31 Cb -0.12 -2.47 -0.01 0.00 0.10 0.00 0.00 34.13 31.62 2iz3 s GLU 31 CO 0.02 0.55 0.03 1.67 0.02 0.00 0.00 175.26 177.55 2iz3 s TRP 32 N -1.20 0.19 -0.04 1.61 -2.14 -1.02 -5.04 118.94 111.29 2iz3 s TRP 32 Ca 0.22 -0.40 -0.23 0.00 2.66 0.00 0.00 56.10 58.35 2iz3 s TRP 32 Cb -0.11 -0.14 -0.04 0.00 -3.10 0.00 0.00 33.47 30.07 2iz3 s TRP 32 CO 0.14 -0.23 0.68 -0.65 -2.66 0.00 0.00 176.95 174.23 2iz3 s GLN 33 N -1.51 4.42 0.08 3.25 -0.21 -1.26 -2.24 119.66 122.19 2iz3 s GLN 33 Ca -0.15 0.86 0.02 0.00 0.02 0.00 0.00 55.36 56.11 2iz3 s GLN 33 Cb -0.09 -3.41 -0.04 0.00 1.00 0.00 0.00 33.01 30.48 2iz3 s GLN 33 CO -0.00 0.18 -0.07 -0.08 -2.12 0.00 0.00 175.29 173.19 2iz3 s THR 34 N 0.42 0.63 0.00 -0.19 -1.32 0.13 -4.77 115.64 110.53 2iz3 s THR 34 Ca 0.36 -1.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.16 2iz3 s THR 34 Cb -0.18 -1.36 0.00 0.00 -1.51 0.00 0.00 72.50 69.45 2iz3 s THR 34 CO 0.18 -0.74 0.00 -0.67 -2.21 0.00 0.00 174.62 171.19 2iz3 n ASP 35 N 0.40 0.00 0.00 8.08 -0.08 -1.26 -1.46 116.55 122.23 2iz3 n ASP 35 Ca -0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 2iz3 n ASP 35 Cb 0.59 -0.98 0.00 0.00 2.34 0.00 0.00 41.12 43.07 2iz3 n ASP 35 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2iz3 n ASN 36 N 0.00 0.00 -2.00 1.67 2.85 -1.26 -4.66 115.26 111.86 2iz3 n ASN 36 Ca 0.00 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.29 2iz3 n ASN 36 Cb 0.00 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.06 2iz3 n ASN 36 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2iz3 s GLU 38 N -3.54 0.91 -0.04 0.00 2.12 -0.53 -1.40 118.70 116.22 2iz3 s GLU 38 Ca 0.46 0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.86 2iz3 s GLU 38 Cb 0.39 0.42 0.02 0.00 0.26 0.00 0.00 34.13 35.23 2iz3 s GLU 38 CO 0.02 -0.28 -0.02 0.99 -0.54 0.00 0.00 175.26 175.43 2iz3 s THR 39 N -1.32 0.32 0.27 -1.70 2.01 -0.95 0.19 115.64 114.46 2iz3 s THR 39 Ca -0.12 0.01 0.10 0.00 0.31 0.00 0.00 61.69 62.00 2iz3 s THR 39 Cb -0.02 -0.39 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 2iz3 s THR 39 CO 0.07 0.18 -0.07 0.00 -0.69 0.00 0.00 174.62 174.11 2iz3 s THR 41 N -2.34 1.00 -0.23 0.00 2.01 0.21 -2.45 115.64 113.83 2iz3 s THR 41 Ca 0.31 -0.51 -0.14 0.00 0.31 0.00 0.00 61.69 61.65 2iz3 s THR 41 Cb -0.06 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 2iz3 s THR 41 CO 0.18 0.29 0.32 0.00 -0.69 0.00 0.00 174.62 174.72 2iz3 s TYR 43 N 1.43 1.81 0.15 0.00 2.02 -0.33 -2.96 117.35 119.46 2iz3 s TYR 43 Ca 0.15 -0.94 -0.30 0.00 -0.37 0.00 0.00 57.07 55.61 2iz3 s TYR 43 Cb -0.15 -1.67 -0.08 0.00 -0.40 0.00 0.00 41.96 39.67 2iz3 s TYR 43 CO 0.08 0.09 1.52 0.93 -1.57 0.00 0.00 175.55 176.60 2iz3 h GLU 44 N 1.23 -0.07 -0.26 -0.62 5.08 -2.00 -3.29 114.58 114.64 2iz3 h GLU 44 Ca -0.43 0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 57.72 2iz3 h GLU 44 Cb 1.31 0.02 -0.39 0.00 0.50 0.00 0.00 28.75 30.19 2iz3 h GLU 44 CO 0.71 -0.05 -1.07 0.25 -1.00 0.00 0.00 179.01 177.85 2iz3 n THR 45 N -5.18 0.77 -3.45 1.13 -2.24 -1.26 -5.05 114.28 98.99 2iz3 n THR 45 Ca 0.01 -2.15 -0.12 0.00 -2.27 0.00 0.00 64.05 59.51 2iz3 n THR 45 Cb 0.27 1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 2iz3 n THR 45 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2iz3 s GLU 46 N -2.30 1.15 -0.08 -0.78 -1.05 -1.24 -2.28 118.70 112.12 2iz3 s GLU 46 Ca 0.29 -0.30 0.02 0.00 -0.15 0.00 0.00 54.97 54.84 2iz3 s GLU 46 Cb 0.35 0.53 0.01 0.00 -0.44 0.00 0.00 34.13 34.58 2iz3 s GLU 46 CO -0.09 -0.48 -0.15 0.42 0.95 0.00 0.00 175.26 175.91 2iz3 s ILE 47 N -3.12 1.39 -0.18 1.83 1.01 0.06 -1.19 121.20 121.00 2iz3 s ILE 47 Ca -0.01 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 59.95 2iz3 s ILE 47 Cb -0.01 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.16 2iz3 s ILE 47 CO -0.08 0.41 0.10 -0.55 0.00 0.00 0.00 174.94 174.83 2iz3 s SER 48 N 0.70 5.97 -0.05 3.58 0.15 -0.93 -1.13 113.70 122.00 2iz3 s SER 48 Ca -0.13 0.19 0.01 0.00 0.70 0.00 0.00 55.95 56.72 2iz3 s SER 48 Cb -0.16 -2.02 0.02 0.00 -1.71 0.00 0.00 66.02 62.15 2iz3 s SER 48 CO 0.03 0.20 -0.06 0.00 1.20 0.00 0.00 173.24 174.61 2iz3 s THR 51 N 0.48 4.26 -2.07 0.00 -1.32 -1.26 -2.23 115.64 113.49 2iz3 s THR 51 Ca -0.08 1.06 0.23 0.00 -1.21 0.00 0.00 61.69 61.69 2iz3 s THR 51 Cb -0.12 -3.59 0.62 0.00 -1.51 0.00 0.00 72.50 67.89 2iz3 s THR 51 CO 0.01 -0.64 1.52 0.18 -2.21 0.00 0.00 174.62 173.49 2iz3 n LEU 52 N -1.81 3.86 -4.55 9.08 4.77 -0.49 -4.90 117.00 122.96 2iz3 n LEU 52 Ca 0.07 -1.89 -0.34 0.00 -0.03 0.00 0.00 56.01 53.82 2iz3 n LEU 52 Cb 0.54 -0.46 -0.11 0.00 -2.33 0.00 0.00 43.42 41.06 2iz3 n LEU 52 CO 0.47 0.95 -0.35 0.68 -1.33 0.00 0.00 177.39 177.81 2iz3 s VAL 53 N -1.09 3.95 0.31 4.08 -7.23 -1.25 -4.54 120.40 114.64 2iz3 s VAL 53 Ca 0.48 -0.35 -0.03 0.00 -1.81 0.00 0.00 61.98 60.26 2iz3 s VAL 53 Cb 0.25 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 2iz3 s VAL 53 CO 0.33 0.53 0.55 -0.94 -0.31 0.00 0.00 175.10 175.27 2iz3 s SER 54 N -0.05 6.39 -0.19 4.85 1.04 -1.26 -4.88 113.70 119.61 2iz3 s SER 54 Ca 0.02 0.64 -0.07 0.00 0.48 0.00 0.00 55.95 57.02 2iz3 s SER 54 Cb -0.13 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.84 2iz3 s SER 54 CO 0.02 -0.23 0.05 -0.89 0.98 0.00 0.00 173.24 173.18 2iz3 s THR 55 N -2.17 4.60 -0.16 2.02 2.01 -0.92 -3.95 115.64 117.08 2iz3 s THR 55 Ca 0.43 -0.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 2iz3 s THR 55 Cb -0.10 -3.08 -0.00 0.00 0.01 0.00 0.00 72.50 69.32 2iz3 s THR 55 CO 0.32 0.44 1.02 -2.16 -0.69 0.00 0.00 174.62 173.56 2iz3 s PRO 56 N 0.61 4.35 -0.00 4.92 0.04 -1.26 -2.53 135.00 141.12 2iz3 s PRO 56 Ca 0.03 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 62.43 2iz3 s PRO 56 Cb -0.13 -3.59 -0.00 0.00 0.04 0.00 0.00 34.50 30.82 2iz3 s PRO 56 CO 0.02 -0.46 0.03 0.54 0.04 0.00 0.00 177.00 177.17 2iz3 s VAL 57 N 2.56 0.05 0.00 -0.36 0.11 -1.15 -4.87 120.40 116.74 2iz3 s VAL 57 Ca 0.46 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 2iz3 s VAL 57 Cb -0.17 -0.18 0.00 0.00 -1.53 0.00 0.00 36.38 34.50 2iz3 s VAL 57 CO 0.12 -0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.30 2iz3 n GLY 58 N 2.39 1.10 3.33 6.54 0.00 -1.26 -2.69 105.19 114.59 2iz3 n GLY 58 Ca -0.17 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.20 1.59 -0.68 1.61 1.13 -1.26 -2.39 117.35 115.15 2iz3 s TYR 59 Ca 0.00 -0.73 -0.27 0.00 -1.41 0.00 0.00 57.07 54.67 2iz3 s TYR 59 Cb 0.00 -0.83 0.01 0.00 -1.10 0.00 0.00 41.96 40.03 2iz3 s TYR 59 CO 0.00 0.18 1.55 -0.51 -2.51 0.00 0.00 175.55 174.25 2iz3 s ASP 60 N -3.29 5.76 0.20 -0.18 1.01 -1.26 -4.85 116.67 114.05 2iz3 s ASP 60 Ca 0.23 -0.08 -0.11 0.00 0.71 0.00 0.00 52.55 53.31 2iz3 s ASP 60 Cb 0.02 -2.55 0.13 0.00 1.01 0.00 0.00 42.92 41.54 2iz3 s ASP 60 CO 0.06 -2.08 1.83 0.11 0.21 0.00 0.00 175.17 175.30 2iz3 h LYS 61 N 12.28 0.98 -0.74 8.23 1.57 -1.99 -2.19 116.57 134.71 2iz3 h LYS 61 Ca -0.27 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.36 2iz3 h LYS 61 Cb 1.10 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 2iz3 h LYS 61 CO 1.25 0.71 0.26 -0.44 -0.57 0.00 0.00 179.45 180.66 2iz3 h ASP 62 N 0.97 1.05 -1.83 0.86 3.32 -2.04 -2.98 116.42 115.77 2iz3 h ASP 62 Ca 0.25 -0.18 -0.73 0.00 0.02 0.00 0.00 57.03 56.39 2iz3 h ASP 62 Cb 0.00 -0.27 -0.30 0.00 0.22 0.00 0.00 39.33 38.98 2iz3 h ASP 62 CO -0.04 0.95 0.73 0.59 -1.72 0.00 0.00 179.24 179.75 2iz3 n ASN 63 N -4.27 7.04 0.00 6.45 5.03 -0.96 -4.92 115.26 123.64 2iz3 n ASN 63 Ca 0.06 -3.82 0.00 0.00 0.87 0.00 0.00 54.58 51.70 2iz3 n ASN 63 Cb 0.21 -0.95 0.00 0.00 -1.02 0.00 0.00 39.78 38.02 2iz3 n ASN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2iz3 s GLN 65 N -1.14 1.22 0.16 0.00 -2.07 -1.02 -4.38 119.66 112.43 2iz3 s GLN 65 Ca 0.00 -0.54 -0.26 0.00 -1.82 0.00 0.00 55.36 52.74 2iz3 s GLN 65 Cb 0.00 -1.18 -0.08 0.00 -1.09 0.00 0.00 33.01 30.67 2iz3 s GLN 65 CO 0.00 0.32 0.81 -0.98 -1.32 0.00 0.00 175.29 174.12 2iz3 s ARG 66 N -0.37 4.61 -0.08 9.60 1.70 -1.26 -3.01 118.95 130.15 2iz3 s ARG 66 Ca 0.06 1.22 0.04 0.00 -0.47 0.00 0.00 55.73 56.57 2iz3 s ARG 66 Cb -0.06 -3.28 0.00 0.00 -0.57 0.00 0.00 34.95 31.04 2iz3 s ARG 66 CO -0.01 0.51 -0.20 0.42 -1.08 0.00 0.00 175.30 174.94 2iz3 s ILE 67 N -0.97 1.75 -0.16 4.99 1.01 0.26 -4.96 121.20 123.13 2iz3 s ILE 67 Ca 0.37 -0.86 -0.25 0.00 0.00 0.00 0.00 60.65 59.92 2iz3 s ILE 67 Cb -0.23 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 2iz3 s ILE 67 CO 0.27 0.49 0.80 0.12 0.00 0.00 0.00 174.94 176.62 2iz3 s PHE 68 N 0.30 3.43 -0.30 3.97 5.36 -1.26 -2.74 117.98 126.73 2iz3 s PHE 68 Ca -0.13 1.22 0.04 0.00 -0.96 0.00 0.00 56.93 57.09 2iz3 s PHE 68 Cb -0.16 -2.97 0.08 0.00 -0.34 0.00 0.00 43.02 39.63 2iz3 s PHE 68 CO 0.06 -0.20 -0.02 0.15 -1.46 0.00 0.00 175.22 173.75 2iz3 s LYS 69 N 1.99 1.82 0.17 10.12 3.01 -1.04 -4.99 119.74 130.81 2iz3 s LYS 69 Ca 0.37 -1.64 -0.12 0.00 -1.01 0.00 0.00 55.97 53.58 2iz3 s LYS 69 Cb -0.17 -3.06 0.06 0.00 -1.01 0.00 0.00 37.83 33.65 2iz3 s LYS 69 CO 0.13 -0.77 1.68 0.87 0.51 0.00 0.00 175.35 177.76 2iz3 h LYS 70 N 7.68 0.92 -0.19 1.68 1.57 -1.96 0.12 116.57 126.40 2iz3 h LYS 70 Ca -0.11 -0.22 0.05 0.00 -1.87 0.00 0.00 60.65 58.51 2iz3 h LYS 70 Cb 1.03 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 2iz3 h LYS 70 CO 0.49 0.85 0.35 1.49 -0.57 0.00 0.00 179.45 182.06 2iz3 h GLU 71 N 0.83 0.00 0.00 3.15 4.81 -1.97 0.08 114.58 121.48 2iz3 h GLU 71 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 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 -3.33 1.31 -4.01 1.04 8.00 -1.06 -5.03 116.55 113.48 2iz3 n ASP 72 Ca 0.02 -1.52 -0.39 0.00 0.71 0.00 0.00 54.79 53.61 2iz3 n ASP 72 Cb 0.46 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.57 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 -6.91 1.37 -0.11 0.00 -2.85 -1.06 -3.84 119.74 106.34 2iz3 s LYS 74 Ca 0.39 -0.60 -0.02 0.00 -1.00 0.00 0.00 55.97 54.74 2iz3 s LYS 74 Cb -0.22 0.57 -0.03 0.00 -2.06 0.00 0.00 37.83 36.09 2iz3 s LYS 74 CO 0.83 -0.61 -0.02 0.71 0.10 0.00 0.00 175.35 176.36 2iz3 s TYR 75 N -3.72 3.08 0.02 1.78 2.02 -1.25 -2.51 117.35 116.77 2iz3 s TYR 75 Ca 0.04 -0.02 0.05 0.00 -0.37 0.00 0.00 57.07 56.77 2iz3 s TYR 75 Cb -0.02 -1.86 -0.02 0.00 -0.40 0.00 0.00 41.96 39.66 2iz3 s TYR 75 CO -0.07 0.24 -0.15 0.96 -1.57 0.00 0.00 175.55 174.97 2iz3 s ILE 76 N -0.34 1.15 -0.15 2.71 -4.36 -1.11 -4.84 121.20 114.27 2iz3 s ILE 76 Ca 0.06 -0.87 -0.00 0.00 -0.26 0.00 0.00 60.65 59.58 2iz3 s ILE 76 Cb -0.12 -1.01 -0.01 0.00 1.25 0.00 0.00 42.46 42.57 2iz3 s ILE 76 CO 0.02 0.13 -0.13 0.68 0.24 0.00 0.00 174.94 175.88 2iz3 s VAL 77 N -0.65 2.94 0.14 8.37 -7.23 -1.26 -0.57 120.40 122.14 2iz3 s VAL 77 Ca 0.03 -0.68 0.05 0.00 -1.81 0.00 0.00 61.98 59.57 2iz3 s VAL 77 Cb -0.07 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2iz3 s VAL 77 CO 0.01 0.51 -0.11 0.68 -0.31 0.00 0.00 175.10 175.88 2iz3 s VAL 78 N 0.62 1.17 0.46 1.32 -7.23 -1.16 0.58 120.40 116.17 2iz3 s VAL 78 Ca -0.07 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.86 2iz3 s VAL 78 Cb -0.16 -1.78 -0.07 0.00 0.56 0.00 0.00 36.38 34.93 2iz3 s VAL 78 CO 0.03 -0.70 1.32 -1.61 -0.31 0.00 0.00 175.10 173.82 2iz3 s GLU 79 N -3.57 3.66 0.17 4.82 2.02 -0.86 -2.44 118.70 122.49 2iz3 s GLU 79 Ca 0.15 2.16 -0.10 0.00 0.02 0.00 0.00 54.97 57.20 2iz3 s GLU 79 Cb 0.01 -2.54 0.02 0.00 0.10 0.00 0.00 34.13 31.72 2iz3 s GLU 79 CO 0.01 -0.75 1.56 0.87 0.02 0.00 0.00 175.26 176.97 2iz3 h LYS 80 N 2.18 1.00 -0.76 1.61 1.57 -1.92 -1.70 116.57 118.55 2iz3 h LYS 80 Ca -0.50 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 57.84 2iz3 h LYS 80 Cb 1.26 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 2iz3 h LYS 80 CO 0.60 1.10 0.40 0.87 -0.57 0.00 0.00 179.45 181.85 2iz3 h LYS 81 N 0.87 1.08 -2.60 3.15 1.57 -1.96 -3.37 116.57 115.30 2iz3 h LYS 81 Ca 0.12 -0.14 -0.59 0.00 -1.87 0.00 0.00 60.65 58.17 2iz3 h LYS 81 Cb 0.77 -0.20 -0.39 0.00 0.08 0.00 0.00 32.23 32.49 2iz3 h LYS 81 CO 0.06 0.82 -0.85 -0.51 -0.57 0.00 0.00 179.45 178.40 2iz3 s ASP 82 N -6.12 2.85 0.00 0.86 1.01 -1.14 -4.99 116.67 109.13 2iz3 s ASP 82 Ca -0.13 -2.37 0.00 0.00 0.71 0.00 0.00 52.55 50.76 2iz3 s ASP 82 Cb 0.15 -0.48 0.00 0.00 1.01 0.00 0.00 42.92 43.60 2iz3 s ASP 82 CO 0.81 -0.28 0.81 -2.65 0.21 0.00 0.00 175.17 174.06 2iz3 n PRO 83 N 3.80 0.00 -0.05 8.23 -0.02 -0.65 -1.55 135.00 144.76 2iz3 n PRO 83 Ca 0.14 0.33 -0.15 0.00 -2.02 0.00 0.00 63.50 61.79 2iz3 n PRO 83 Cb 0.38 -1.60 -0.06 0.00 -0.02 0.00 0.00 33.50 32.20 2iz3 n PRO 83 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2iz3 h LYS 84 N 0.00 0.72 -6.61 -0.52 2.10 -1.94 -3.44 116.57 106.88 2iz3 h LYS 84 Ca 0.00 -0.50 -0.51 0.00 -2.00 0.00 0.00 60.65 57.64 2iz3 h LYS 84 Cb 0.20 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.59 2iz3 h LYS 84 CO 0.00 1.12 0.31 0.21 -2.00 0.00 0.00 179.45 179.09 2iz3 s LYS 85 N -3.96 4.73 0.58 0.07 2.20 -0.59 -5.01 119.74 117.75 2iz3 s LYS 85 Ca -0.12 1.39 -0.08 0.00 -0.36 0.00 0.00 55.97 56.80 2iz3 s LYS 85 Cb 0.08 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 2iz3 s LYS 85 CO 0.86 0.40 0.92 0.95 -0.36 0.00 0.00 175.35 178.13 2iz3 s THR 86 N -0.66 4.36 0.35 3.43 -4.23 -1.26 -2.04 115.64 115.59 2iz3 s THR 86 Ca 0.42 0.38 0.07 0.00 -1.18 0.00 0.00 61.69 61.38 2iz3 s THR 86 Cb -0.24 -3.72 -0.01 0.00 1.34 0.00 0.00 72.50 69.88 2iz3 s THR 86 CO 0.30 -0.81 0.47 0.00 -0.54 0.00 0.00 174.62 174.03 2iz3 s SER 88 N -4.18 6.43 -0.05 0.00 0.15 -1.26 -4.90 113.70 109.88 2iz3 s SER 88 Ca 0.46 0.50 0.06 0.00 0.70 0.00 0.00 55.95 57.68 2iz3 s SER 88 Cb -0.09 -2.20 -0.02 0.00 -1.71 0.00 0.00 66.02 62.00 2iz3 s SER 88 CO 0.31 0.03 -0.23 -0.69 1.20 0.00 0.00 173.24 173.85 2iz3 s VAL 89 N 0.83 2.23 0.18 4.45 1.01 -1.26 -4.33 120.40 123.51 2iz3 s VAL 89 Ca 0.17 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 2iz3 s VAL 89 Cb -0.14 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.45 2iz3 s VAL 89 CO 0.06 0.57 1.59 -1.28 0.00 0.00 0.00 175.10 176.04 2iz3 h SER 90 N 5.84 0.97 -4.67 3.32 0.87 -1.36 -3.47 113.55 115.05 2iz3 h SER 90 Ca -0.37 -0.35 0.11 0.00 -1.23 0.00 0.00 61.79 59.96 2iz3 h SER 90 Cb 1.16 -0.27 -0.15 0.00 -0.44 0.00 0.00 62.40 62.70 2iz3 h SER 90 CO 0.48 1.13 0.49 -1.83 -0.53 0.00 0.00 176.83 176.56 2iz3 s GLU 91 N -4.72 0.84 0.06 2.24 -1.05 -1.10 -5.05 118.70 109.92 2iz3 s GLU 91 Ca -0.11 -0.32 0.09 0.00 -0.15 0.00 0.00 54.97 54.48 2iz3 s GLU 91 Cb 0.13 0.38 -0.03 0.00 -0.44 0.00 0.00 34.13 34.17 2iz3 s GLU 91 CO 0.86 -0.37 -0.22 -1.58 0.95 0.00 0.00 175.26 174.90 2iz3 s TRP 92 N -3.13 2.44 -0.20 4.83 0.52 -1.26 -2.93 118.94 119.20 2iz3 s TRP 92 Ca 0.05 -0.33 -0.08 0.00 0.02 0.00 0.00 56.10 55.76 2iz3 s TRP 92 Cb -0.01 -1.40 -0.04 0.00 -1.15 0.00 0.00 33.47 30.87 2iz3 s TRP 92 CO -0.09 0.24 0.09 0.42 0.02 0.00 0.00 176.95 177.63 2iz3 s ILE 93 N -0.93 4.92 0.00 2.03 1.01 -1.05 -4.91 121.20 122.27 2iz3 s ILE 93 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.81 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 0.05 0.43 0.00 0.00 0.00 0.00 0.00 174.94 175.42