#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iz4 s TYR 3 N -3.10 -0.71 0.25 0.00 1.13 0.41 -5.00 117.35 110.34 2iz4 s TYR 3 Ca 0.67 1.63 -0.03 0.00 -1.41 0.00 0.00 57.07 57.93 2iz4 s TYR 3 Cb -0.05 0.31 -0.05 0.00 -1.10 0.00 0.00 41.96 41.08 2iz4 s TYR 3 CO 0.44 -0.40 0.49 -0.06 -2.51 0.00 0.00 175.55 173.51 2iz4 s PHE 4 N 0.03 3.48 -0.05 -3.49 0.40 -1.26 -1.63 117.98 115.45 2iz4 s PHE 4 Ca -0.02 0.52 0.05 0.00 -0.60 0.00 0.00 56.93 56.88 2iz4 s PHE 4 Cb -0.04 -2.00 -0.00 0.00 0.51 0.00 0.00 43.02 41.48 2iz4 s PHE 4 CO 0.02 0.25 -0.19 0.42 0.70 0.00 0.00 175.22 176.42 2iz4 s ILE 5 N -2.00 1.59 -0.51 0.64 1.01 -0.46 -4.95 121.20 116.51 2iz4 s ILE 5 Ca 0.42 -0.80 -0.28 0.00 0.00 0.00 0.00 60.65 59.99 2iz4 s ILE 5 Cb -0.11 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 41.01 2iz4 s ILE 5 CO 0.30 0.45 1.51 -2.16 0.00 0.00 0.00 174.94 175.04 2iz4 s PRO 6 N 0.05 3.27 -0.33 2.79 0.04 -1.26 -1.37 135.00 138.19 2iz4 s PRO 6 Ca -0.05 0.68 -0.43 0.00 0.04 0.00 0.00 61.00 61.23 2iz4 s PRO 6 Cb -0.13 -4.15 -0.19 0.00 0.04 0.00 0.00 34.50 30.07 2iz4 s PRO 6 CO 0.03 -1.96 1.38 -1.71 0.04 0.00 0.00 177.00 174.78 2iz4 n ASN 7 N 9.91 0.80 -0.26 6.66 2.85 -1.12 -4.81 115.26 129.29 2iz4 n ASN 7 Ca 0.15 1.13 0.13 0.00 -0.11 0.00 0.00 54.58 55.89 2iz4 n ASN 7 Cb 0.49 -0.86 0.33 0.00 1.24 0.00 0.00 39.78 40.98 2iz4 n ASN 7 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2iz4 n GLN 8 N 3.10 0.85 -2.52 1.20 1.13 -1.15 -4.88 117.38 115.11 2iz4 n GLN 8 Ca 0.27 -0.53 -0.24 0.00 -1.94 0.00 0.00 57.00 54.55 2iz4 n GLN 8 Cb -0.02 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 28.88 2iz4 n GLN 8 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2iz4 s SER 9 N -2.52 5.39 -0.05 1.08 1.04 -1.26 -4.85 113.70 112.53 2iz4 s SER 9 Ca 0.23 0.40 0.09 0.00 0.48 0.00 0.00 55.95 57.16 2iz4 s SER 9 Cb 0.19 -1.34 0.22 0.00 0.10 0.00 0.00 66.02 65.19 2iz4 s SER 9 CO 0.53 -1.13 1.17 0.18 0.98 0.00 0.00 173.24 174.97 2iz4 n LEU 10 N -2.51 2.63 -4.79 2.42 4.77 -1.26 -4.89 117.00 113.37 2iz4 n LEU 10 Ca 0.05 -2.34 -0.39 0.00 -0.03 0.00 0.00 56.01 53.31 2iz4 n LEU 10 Cb 0.59 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 2iz4 n LEU 10 CO 0.50 0.63 0.25 -0.54 -1.33 0.00 0.00 177.39 176.90 2iz4 s LYS 11 N -1.60 4.22 0.00 3.23 3.01 -1.25 -4.97 119.74 122.38 2iz4 s LYS 11 Ca 0.19 0.67 0.26 0.00 -1.01 0.00 0.00 55.97 56.08 2iz4 s LYS 11 Cb 0.14 -3.29 1.17 0.00 -1.01 0.00 0.00 37.83 34.83 2iz4 s LYS 11 CO 0.07 0.50 1.84 -0.35 0.51 0.00 0.00 175.35 177.91 2iz4 n PRO 12 N 2.29 0.14 -0.01 -1.68 -0.04 -1.26 -3.40 135.00 131.04 2iz4 n PRO 12 Ca -0.09 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2iz4 n PRO 12 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2iz4 n PRO 12 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2iz4 n ASN 13 N -1.42 1.06 -3.79 3.54 0.23 -1.26 -4.74 115.26 108.88 2iz4 n ASN 13 Ca 0.08 -1.55 -0.13 0.00 -0.53 0.00 0.00 54.58 52.46 2iz4 n ASN 13 Cb 0.26 -0.01 -0.11 0.00 -2.08 0.00 0.00 39.78 37.84 2iz4 n ASN 13 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2iz4 s GLU 14 N -0.55 0.36 0.12 -3.83 2.02 -1.22 0.40 118.70 116.01 2iz4 s GLU 14 Ca 0.00 0.18 0.09 0.00 0.02 0.00 0.00 54.97 55.27 2iz4 s GLU 14 Cb 0.00 0.17 -0.04 0.00 0.10 0.00 0.00 34.13 34.36 2iz4 s GLU 14 CO 0.00 -0.06 -0.19 0.00 0.02 0.00 0.00 175.26 175.03 2iz4 s GLN 16 N -2.17 2.61 0.29 0.00 0.74 -1.26 -2.16 119.66 117.72 2iz4 s GLN 16 Ca 0.18 -0.88 -0.01 0.00 0.05 0.00 0.00 55.36 54.70 2iz4 s GLN 16 Cb -0.10 -2.21 0.06 0.00 1.10 0.00 0.00 33.01 31.86 2iz4 s GLN 16 CO 0.10 0.38 0.40 -0.25 -0.55 0.00 0.00 175.29 175.37 2iz4 n ASP 17 N 2.96 0.46 0.00 6.67 8.00 0.20 -2.94 116.55 131.90 2iz4 n ASP 17 Ca -0.17 -1.41 0.14 0.00 0.71 0.00 0.00 54.79 54.06 2iz4 n ASP 17 Cb 0.52 -0.27 0.75 0.00 -0.02 0.00 0.00 41.12 42.10 2iz4 n ASP 17 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2iz4 n LEU 18 N 0.00 0.00 -1.43 0.64 4.32 -1.26 -2.65 117.00 116.62 2iz4 n LEU 18 Ca 0.06 0.19 0.09 0.00 -0.02 0.00 0.00 56.01 56.33 2iz4 n LEU 18 Cb 0.23 -0.19 0.32 0.00 -1.62 0.00 0.00 43.42 42.17 2iz4 n LEU 18 CO 0.16 -0.02 0.78 0.29 -1.22 0.00 0.00 177.39 177.37 2iz4 n LYS 19 N -1.19 3.24 -0.85 3.23 5.02 -1.26 -4.90 118.16 121.45 2iz4 n LYS 19 Ca 0.16 -2.59 0.00 0.00 -2.02 0.00 0.00 58.31 53.86 2iz4 n LYS 19 Cb 0.18 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 2iz4 n LYS 19 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2iz4 n GLY 20 N 1.25 0.24 3.89 0.72 0.00 -1.09 -4.97 105.19 105.24 2iz4 n GLY 20 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 2iz4 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iz4 s VAL 21 N -1.63 5.07 0.11 1.61 0.11 -1.26 -4.86 120.40 119.53 2iz4 s VAL 21 Ca 0.00 0.19 0.06 0.00 -2.93 0.00 0.00 61.98 59.30 2iz4 s VAL 21 Cb 0.00 -3.63 -0.03 0.00 -1.53 0.00 0.00 36.38 31.18 2iz4 s VAL 21 CO 0.00 -0.04 -0.15 -0.55 -3.33 0.00 0.00 175.10 171.04 2iz4 s SER 22 N -2.48 1.94 0.03 3.54 0.15 -1.26 -0.63 113.70 115.00 2iz4 s SER 22 Ca 0.44 -0.74 0.03 0.00 0.70 0.00 0.00 55.95 56.37 2iz4 s SER 22 Cb -0.12 -0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.11 2iz4 s SER 22 CO 0.24 -0.11 -0.09 -1.00 1.20 0.00 0.00 173.24 173.48 2iz4 s HIS 23 N -1.81 0.78 0.70 3.44 3.76 -0.92 -4.98 115.29 116.27 2iz4 s HIS 23 Ca 0.05 -0.35 -0.16 0.00 -0.15 0.00 0.00 55.06 54.45 2iz4 s HIS 23 Cb -0.07 -0.47 0.02 0.00 1.11 0.00 0.00 32.58 33.17 2iz4 s HIS 23 CO 0.03 -0.03 1.22 -1.25 -0.85 0.00 0.00 174.74 173.86 2iz4 s PRO 24 N -1.09 2.28 1.07 8.40 0.04 -1.26 -2.84 135.00 141.60 2iz4 s PRO 24 Ca -0.04 1.81 -0.16 0.00 0.04 0.00 0.00 61.00 62.66 2iz4 s PRO 24 Cb -0.07 -1.84 0.12 0.00 0.04 0.00 0.00 34.50 32.74 2iz4 s PRO 24 CO 0.01 -1.74 0.32 -0.11 0.04 0.00 0.00 177.00 175.51 2iz4 n LEU 25 N -2.49 -1.35 0.00 -3.56 7.94 0.16 -1.93 117.00 115.77 2iz4 n LEU 25 Ca 0.14 0.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 2iz4 n LEU 25 Cb 0.50 -1.09 0.00 0.00 0.53 0.00 0.00 43.42 43.35 2iz4 n LEU 25 CO 0.47 -3.22 0.00 -0.46 -1.11 0.00 0.00 177.39 173.07 2iz4 n ASN 26 N -2.19 0.00 -4.84 1.96 6.94 -1.13 -4.86 115.26 111.14 2iz4 n ASN 26 Ca 0.03 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.26 2iz4 n ASN 26 Cb 0.58 -1.10 -0.06 0.00 -2.36 0.00 0.00 39.78 36.84 2iz4 n ASN 26 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2iz4 s SER 27 N -0.92 6.86 -0.09 0.53 1.04 -0.81 -4.91 113.70 115.40 2iz4 s SER 27 Ca 0.00 1.38 0.03 0.00 0.48 0.00 0.00 55.95 57.84 2iz4 s SER 27 Cb 0.00 -2.41 0.01 0.00 0.10 0.00 0.00 66.02 63.71 2iz4 s SER 27 CO 0.00 -0.19 -0.19 0.54 0.98 0.00 0.00 173.24 174.38 2iz4 s VAL 28 N -1.93 1.69 0.11 5.02 0.11 -1.26 -3.03 120.40 121.11 2iz4 s VAL 28 Ca 0.53 -0.80 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 2iz4 s VAL 28 Cb -0.11 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.21 2iz4 s VAL 28 CO 0.17 0.48 -0.01 -1.66 -3.33 0.00 0.00 175.10 170.76 2iz4 s TRP 29 N 0.47 0.84 -0.06 1.54 -2.14 -0.78 -4.95 118.94 113.86 2iz4 s TRP 29 Ca -0.17 -1.08 0.05 0.00 2.66 0.00 0.00 56.10 57.56 2iz4 s TRP 29 Cb -0.17 -0.50 -0.01 0.00 -3.10 0.00 0.00 33.47 29.69 2iz4 s TRP 29 CO 0.07 -0.34 -0.22 0.15 -2.66 0.00 0.00 176.95 173.95 2iz4 s LYS 30 N -3.94 2.34 0.00 3.25 1.02 -1.25 -0.93 119.74 120.23 2iz4 s LYS 30 Ca 0.16 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.36 2iz4 s LYS 30 Cb 0.07 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 2iz4 s LYS 30 CO -0.03 0.31 0.00 0.25 -0.92 0.00 0.00 175.35 174.96 2iz4 n THR 31 N 3.10 0.00 -0.34 2.17 -2.24 -1.26 -4.84 114.28 110.87 2iz4 n THR 31 Ca -0.18 0.00 0.32 0.00 -2.27 0.00 0.00 64.05 61.92 2iz4 n THR 31 Cb 0.52 -1.00 0.67 0.00 -2.10 0.00 0.00 70.33 68.42 2iz4 n THR 31 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2iz4 h LYS 32 N 0.00 0.13 -0.94 -0.78 3.11 -2.00 1.23 116.57 117.31 2iz4 h LYS 32 Ca 0.00 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2iz4 h LYS 32 Cb 0.00 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.20 2iz4 h LYS 32 CO 0.00 0.09 0.00 -0.25 -2.81 0.00 0.00 179.45 176.48 2iz4 n ASP 33 N -4.36 1.74 -3.21 4.20 8.00 -1.26 -4.84 116.55 116.82 2iz4 n ASP 33 Ca 0.27 -2.14 -0.23 0.00 0.71 0.00 0.00 54.79 53.40 2iz4 n ASP 33 Cb 1.17 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 41.69 2iz4 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2iz4 n GLU 35 N -2.65 -0.02 -4.06 0.00 -0.00 -1.26 -4.12 120.64 108.53 2iz4 n GLU 35 Ca 0.06 -1.97 -0.32 0.00 -0.00 0.00 0.00 57.16 54.93 2iz4 n GLU 35 Cb 0.31 -0.54 -0.15 0.00 -0.00 0.00 0.00 31.44 31.06 2iz4 n GLU 35 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2iz4 s GLU 36 N -4.47 2.32 -0.14 3.44 4.04 -0.12 -3.90 118.70 119.88 2iz4 s GLU 36 Ca 0.50 -1.30 0.01 0.00 0.04 0.00 0.00 54.97 54.21 2iz4 s GLU 36 Cb -0.03 -2.89 -0.01 0.00 0.02 0.00 0.00 34.13 31.23 2iz4 s GLU 36 CO 0.33 -0.54 -0.15 0.00 -1.84 0.00 0.00 175.26 173.05 2iz4 s THR 38 N 0.57 2.98 0.24 0.00 -4.23 -0.53 -1.86 115.64 112.80 2iz4 s THR 38 Ca -0.09 -0.69 -0.30 0.00 -1.18 0.00 0.00 61.69 59.43 2iz4 s THR 38 Cb -0.16 -2.24 -0.09 0.00 1.34 0.00 0.00 72.50 71.35 2iz4 s THR 38 CO 0.04 0.53 0.96 0.00 -0.54 0.00 0.00 174.62 175.60 2iz4 n GLY 40 N 1.48 5.14 0.02 0.00 0.00 0.07 -2.86 105.19 109.04 2iz4 n GLY 40 Ca -0.02 -1.79 -0.00 0.00 0.00 0.00 0.00 46.02 44.21 2iz4 n GLY 40 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2iz4 h GLN 41 N 0.00 0.00 0.00 1.61 1.08 -1.92 -3.42 115.11 112.46 2iz4 h GLN 41 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2iz4 h GLN 41 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2iz4 h GLN 41 CO 0.00 0.00 -0.19 -0.40 -0.95 0.00 0.00 178.83 177.29 2iz4 n ASP 42 N -3.07 2.05 -3.48 1.46 5.68 -1.26 -4.81 116.55 113.12 2iz4 n ASP 42 Ca -0.00 -3.29 -0.15 0.00 -0.50 0.00 0.00 54.79 50.85 2iz4 n ASP 42 Cb 0.01 -0.45 -0.04 0.00 -1.14 0.00 0.00 41.12 39.50 2iz4 n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2iz4 s ALA 43 N -2.85 -1.71 -0.06 2.12 0.00 -1.26 -2.81 121.76 115.20 2iz4 s ALA 43 Ca 0.33 0.96 0.05 0.00 0.00 0.00 0.00 51.96 53.30 2iz4 s ALA 43 Cb 0.30 0.37 -0.00 0.00 0.00 0.00 0.00 23.12 23.79 2iz4 s ALA 43 CO -0.01 -0.56 -0.20 0.42 0.00 0.00 0.00 175.76 175.42 2iz4 s ILE 44 N -2.38 1.69 -0.44 0.00 1.01 -0.47 -0.75 121.20 119.86 2iz4 s ILE 44 Ca -0.05 -0.85 -0.16 0.00 0.00 0.00 0.00 60.65 59.59 2iz4 s ILE 44 Cb -0.01 -1.45 0.04 0.00 0.01 0.00 0.00 42.46 41.05 2iz4 s ILE 44 CO -0.01 0.48 0.39 -0.55 0.00 0.00 0.00 174.94 175.25 2iz4 s SER 45 N 0.06 6.15 -0.03 3.58 0.15 -0.46 -1.35 113.70 121.81 2iz4 s SER 45 Ca -0.07 -0.93 0.03 0.00 0.70 0.00 0.00 55.95 55.69 2iz4 s SER 45 Cb -0.13 -2.20 -0.03 0.00 -1.71 0.00 0.00 66.02 61.95 2iz4 s SER 45 CO 0.04 -0.57 -0.11 0.00 1.20 0.00 0.00 173.24 173.80 2iz4 s ASN 48 N -1.15 6.88 0.02 0.00 4.22 -1.26 -0.94 114.94 122.71 2iz4 s ASN 48 Ca -0.12 2.21 0.22 0.00 -2.14 0.00 0.00 52.86 53.03 2iz4 s ASN 48 Cb -0.05 -2.58 -0.14 0.00 1.28 0.00 0.00 41.25 39.77 2iz4 s ASN 48 CO 0.04 -0.63 0.82 0.35 -2.04 0.00 0.00 177.10 175.64 2iz4 n THR 49 N 4.13 0.11 -2.67 0.54 -2.24 -1.26 -4.90 114.28 107.99 2iz4 n THR 49 Ca 0.11 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 2iz4 n THR 49 Cb 0.43 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 2iz4 n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iz4 s ALA 50 N -3.27 3.31 0.45 6.98 0.00 -1.26 -5.02 121.76 122.95 2iz4 s ALA 50 Ca 0.01 0.49 -0.24 0.00 0.00 0.00 0.00 51.96 52.21 2iz4 s ALA 50 Cb 0.14 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 2iz4 s ALA 50 CO 0.85 -0.45 1.24 0.00 0.00 0.00 0.00 175.76 177.40 2iz4 s ALA 51 N 1.55 3.06 -0.50 0.00 0.00 -1.26 -4.95 121.76 119.65 2iz4 s ALA 51 Ca 0.51 1.10 -0.15 0.00 0.00 0.00 0.00 51.96 53.42 2iz4 s ALA 51 Cb -0.20 -3.45 0.10 0.00 0.00 0.00 0.00 23.12 19.57 2iz4 s ALA 51 CO 0.23 -0.82 0.44 0.42 0.00 0.00 0.00 175.76 176.03 2iz4 s ILE 52 N -1.40 5.12 0.95 0.00 1.01 -0.72 -4.35 121.20 121.81 2iz4 s ILE 52 Ca 0.62 -1.33 -0.11 0.00 0.00 0.00 0.00 60.65 59.83 2iz4 s ILE 52 Cb -0.34 -4.19 0.16 0.00 0.01 0.00 0.00 42.46 38.10 2iz4 s ILE 52 CO 0.42 -0.73 1.09 -2.16 0.00 0.00 0.00 174.94 173.56 2iz4 s PRO 53 N 1.60 0.82 0.16 2.79 0.04 -1.26 -0.67 135.00 138.48 2iz4 s PRO 53 Ca 0.04 1.03 -0.05 0.00 0.04 0.00 0.00 61.00 62.06 2iz4 s PRO 53 Cb -0.27 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.55 2iz4 s PRO 53 CO 0.04 -2.60 0.30 -2.37 0.04 0.00 0.00 177.00 172.41 2iz4 n THR 54 N -4.16 0.00 -0.16 1.26 5.66 -0.64 -4.84 114.28 111.39 2iz4 n THR 54 Ca 0.07 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 2iz4 n THR 54 Cb 0.54 0.43 0.00 0.00 -1.55 0.00 0.00 70.33 69.76 2iz4 n THR 54 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2iz4 n GLY 55 N -0.23 2.32 3.86 1.09 0.00 -1.26 -2.30 105.19 108.66 2iz4 n GLY 55 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2iz4 n GLY 55 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2iz4 s TYR 56 N -2.89 3.08 -0.86 1.61 1.13 -1.00 -4.78 117.35 113.64 2iz4 s TYR 56 Ca 0.00 1.03 -0.25 0.00 -1.41 0.00 0.00 57.07 56.44 2iz4 s TYR 56 Cb 0.00 -3.16 -0.03 0.00 -1.10 0.00 0.00 41.96 37.67 2iz4 s TYR 56 CO 0.00 -1.50 1.88 -0.51 -2.51 0.00 0.00 175.55 172.90 2iz4 s ASP 57 N -4.23 5.30 0.22 -0.18 1.11 -1.26 -4.75 116.67 112.87 2iz4 s ASP 57 Ca 0.60 -0.55 0.18 0.00 0.18 0.00 0.00 52.55 52.95 2iz4 s ASP 57 Cb -0.12 -2.56 0.87 0.00 1.07 0.00 0.00 42.92 42.18 2iz4 s ASP 57 CO 0.52 -2.56 1.55 0.35 1.18 0.00 0.00 175.17 176.22 2iz4 n THR 58 N 7.64 1.12 1.01 -1.27 -2.24 -1.26 0.18 114.28 119.46 2iz4 n THR 58 Ca 0.35 0.49 0.11 0.00 -2.27 0.00 0.00 64.05 62.73 2iz4 n THR 58 Cb 0.48 -1.44 0.02 0.00 -2.10 0.00 0.00 70.33 67.29 2iz4 n THR 58 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2iz4 n ASN 59 N -2.05 0.88 0.00 3.42 5.15 -1.26 -4.56 115.26 116.83 2iz4 n ASN 59 Ca 0.00 -0.77 0.00 0.00 -0.60 0.00 0.00 54.58 53.22 2iz4 n ASN 59 Cb 0.10 0.70 0.00 0.00 -0.53 0.00 0.00 39.78 40.06 2iz4 n ASN 59 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2iz4 n LYS 60 N -1.42 0.00 -3.58 1.20 5.02 -0.03 -5.04 118.16 114.32 2iz4 n LYS 60 Ca 0.05 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.13 2iz4 n LYS 60 Cb 0.34 -0.66 -0.02 0.00 -0.02 0.00 0.00 35.03 34.66 2iz4 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2iz4 s GLN 62 N -4.17 1.42 -0.33 0.00 -2.07 -0.75 -4.30 119.66 109.46 2iz4 s GLN 62 Ca 0.47 -1.78 -0.13 0.00 -1.82 0.00 0.00 55.36 52.10 2iz4 s GLN 62 Cb -0.03 0.19 -0.02 0.00 -1.09 0.00 0.00 33.01 32.05 2iz4 s GLN 62 CO 0.28 -0.46 0.27 -1.59 -1.32 0.00 0.00 175.29 172.46 2iz4 s LYS 63 N -3.92 3.61 -0.31 9.60 0.00 -1.26 -3.21 119.74 124.26 2iz4 s LYS 63 Ca 0.39 -0.51 0.03 0.00 0.00 0.00 0.00 55.97 55.88 2iz4 s LYS 63 Cb 0.06 -3.78 0.09 0.00 0.00 0.00 0.00 37.83 34.20 2iz4 s LYS 63 CO 0.17 -0.41 0.00 0.42 0.00 0.00 0.00 175.35 175.53 2iz4 s ILE 64 N 1.81 2.08 -0.12 3.79 -1.09 -0.92 -5.01 121.20 121.74 2iz4 s ILE 64 Ca 0.08 -1.99 -0.29 0.00 -2.23 0.00 0.00 60.65 56.22 2iz4 s ILE 64 Cb -0.17 -2.42 -0.02 0.00 -1.58 0.00 0.00 42.46 38.27 2iz4 s ILE 64 CO 0.11 -0.41 1.26 -0.22 -1.23 0.00 0.00 174.94 174.46 2iz4 s LEU 65 N 1.05 4.22 -0.05 2.97 0.20 -1.26 -2.98 118.68 122.83 2iz4 s LEU 65 Ca 0.04 1.77 -0.27 0.00 0.69 0.00 0.00 54.13 56.36 2iz4 s LEU 65 Cb -0.19 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 41.99 2iz4 s LEU 65 CO -0.08 -0.71 0.86 0.20 -0.29 0.00 0.00 176.35 176.32 2iz4 s ASN 66 N 1.87 7.18 0.00 3.68 0.01 -0.12 -4.92 114.94 122.64 2iz4 s ASN 66 Ca 0.56 1.42 0.27 0.00 -0.71 0.00 0.00 52.86 54.40 2iz4 s ASN 66 Cb -0.23 -2.50 0.76 0.00 0.41 0.00 0.00 41.25 39.68 2iz4 s ASN 66 CO 0.18 -0.23 1.57 0.29 -1.51 0.00 0.00 177.10 177.40 2iz4 n LYS 67 N 4.05 1.72 0.06 -0.60 4.01 -1.26 -2.07 118.16 124.08 2iz4 n LYS 67 Ca 0.03 -1.16 -0.07 0.00 -0.51 0.00 0.00 58.31 56.60 2iz4 n LYS 67 Cb 0.51 -1.48 -0.05 0.00 -0.51 0.00 0.00 35.03 33.50 2iz4 n LYS 67 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2iz4 h LYS 68 N 2.82 -0.25 -0.15 1.97 6.56 -1.95 -3.37 116.57 122.20 2iz4 h LYS 68 Ca 0.00 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2iz4 h LYS 68 Cb 0.64 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.35 2iz4 h LYS 68 CO 0.00 0.01 0.00 -2.37 -2.06 0.00 0.00 179.45 175.03 2iz4 n THR 69 N -4.94 0.29 -3.22 -0.16 5.66 -1.26 -5.01 114.28 105.64 2iz4 n THR 69 Ca -0.05 -0.65 -0.09 0.00 -3.05 0.00 0.00 64.05 60.21 2iz4 n THR 69 Cb 0.19 1.07 0.03 0.00 -1.55 0.00 0.00 70.33 70.08 2iz4 n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2iz4 s THR 71 N -3.18 0.07 0.06 0.00 -1.32 -1.01 -4.82 115.64 105.44 2iz4 s THR 71 Ca 0.21 -0.57 -0.19 0.00 -1.21 0.00 0.00 61.69 59.93 2iz4 s THR 71 Cb -0.04 -0.78 -0.07 0.00 -1.51 0.00 0.00 72.50 70.10 2iz4 s THR 71 CO 0.76 -0.31 0.55 -0.31 -2.21 0.00 0.00 174.62 173.10 2iz4 s TYR 72 N -1.95 3.79 0.21 9.09 2.02 -1.26 -0.94 117.35 128.31 2iz4 s TYR 72 Ca -0.09 1.24 0.03 0.00 -0.37 0.00 0.00 57.07 57.87 2iz4 s TYR 72 Cb -0.03 -2.48 -0.05 0.00 -0.40 0.00 0.00 41.96 39.00 2iz4 s TYR 72 CO 0.01 0.59 0.01 -0.08 -1.57 0.00 0.00 175.55 174.50 2iz4 s THR 73 N -1.07 0.84 -0.06 -0.71 -1.32 -1.16 -4.93 115.64 107.24 2iz4 s THR 73 Ca 0.28 -2.01 -0.00 0.00 -1.21 0.00 0.00 61.69 58.75 2iz4 s THR 73 Cb -0.19 -2.27 0.02 0.00 -1.51 0.00 0.00 72.50 68.55 2iz4 s THR 73 CO 0.18 -0.36 -0.02 -0.69 -2.21 0.00 0.00 174.62 171.52 2iz4 s VAL 74 N -3.55 0.47 0.07 5.08 1.01 -1.26 -2.16 120.40 120.06 2iz4 s VAL 74 Ca 0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.23 2iz4 s VAL 74 Cb 0.06 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2iz4 s VAL 74 CO 0.07 0.24 -0.03 0.68 0.00 0.00 0.00 175.10 176.06 2iz4 s VAL 75 N 1.39 0.34 0.36 2.92 -7.23 -1.20 -2.67 120.40 114.31 2iz4 s VAL 75 Ca -0.04 -1.86 -0.28 0.00 -1.81 0.00 0.00 61.98 57.99 2iz4 s VAL 75 Cb -0.13 -1.63 -0.11 0.00 0.56 0.00 0.00 36.38 35.07 2iz4 s VAL 75 CO -0.03 -0.90 1.45 -1.61 -0.31 0.00 0.00 175.10 173.70 2iz4 s GLU 76 N -3.91 4.17 0.22 4.82 2.02 -0.87 -1.81 118.70 123.33 2iz4 s GLU 76 Ca 0.10 2.48 -0.09 0.00 0.02 0.00 0.00 54.97 57.49 2iz4 s GLU 76 Cb 0.07 -3.00 0.18 0.00 0.10 0.00 0.00 34.13 31.48 2iz4 s GLU 76 CO -0.07 -0.46 1.87 0.87 0.02 0.00 0.00 175.26 177.49 2iz4 h LYS 77 N 3.22 1.09 0.00 1.61 1.57 -1.19 0.35 116.57 123.22 2iz4 h LYS 77 Ca -0.50 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 2iz4 h LYS 77 Cb 1.23 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2iz4 h LYS 77 CO 0.65 0.76 0.00 0.87 -0.57 0.00 0.00 179.45 181.16 2iz4 h LYS 78 N 1.11 0.00 -1.72 3.15 1.57 -1.91 -3.38 116.57 115.38 2iz4 h LYS 78 Ca 0.29 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.87 2iz4 h LYS 78 Cb -0.07 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 31.96 2iz4 h LYS 78 CO -0.06 0.00 -0.55 -0.51 -0.57 0.00 0.00 179.45 177.77 2iz4 s ASP 79 N -4.47 0.45 0.00 0.86 1.01 0.04 -5.00 116.67 109.56 2iz4 s ASP 79 Ca 0.04 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 52.83 2iz4 s ASP 79 Cb 0.09 1.07 0.00 0.00 1.01 0.00 0.00 42.92 45.09 2iz4 s ASP 79 CO 0.42 -0.35 0.71 -0.81 0.21 0.00 0.00 175.17 175.35 2iz4 n PRO 80 N 5.29 0.89 0.00 8.23 -0.04 -0.78 -2.05 135.00 146.54 2iz4 n PRO 80 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2iz4 n PRO 80 Cb 0.49 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 2iz4 n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2iz4 n GLY 81 N 0.26 0.61 0.00 0.55 0.00 -1.26 -4.86 105.19 100.48 2iz4 n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2iz4 n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2iz4 n LYS 82 N -0.23 0.00 -3.58 1.61 4.76 -1.11 -5.05 118.16 114.56 2iz4 n LYS 82 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 2iz4 n LYS 82 Cb 0.15 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.28 2iz4 n LYS 82 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2iz4 s THR 83 N 2.02 0.00 0.00 -0.18 -4.23 -1.26 -4.84 115.64 107.16 2iz4 s THR 83 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2iz4 s THR 83 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 2iz4 s THR 83 CO 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 2iz4 s ASP 85 N 0.26 -0.67 0.06 0.00 1.01 -1.26 -5.06 116.67 111.00 2iz4 s ASP 85 Ca 0.00 1.15 0.07 0.00 0.71 0.00 0.00 52.55 54.48 2iz4 s ASP 85 Cb 0.00 1.14 -0.03 0.00 1.01 0.00 0.00 42.92 45.04 2iz4 s ASP 85 CO 0.00 -0.21 -0.20 0.68 0.21 0.00 0.00 175.17 175.65 2iz4 s VAL 86 N 1.71 1.58 -0.96 -1.27 -7.23 -1.26 -2.38 120.40 110.58 2iz4 s VAL 86 Ca -0.09 -1.24 0.09 0.00 -1.81 0.00 0.00 61.98 58.93 2iz4 s VAL 86 Cb -0.08 -1.40 0.03 0.00 0.56 0.00 0.00 36.38 35.50 2iz4 s VAL 86 CO -0.16 0.11 0.68 0.35 -0.31 0.00 0.00 175.10 175.77 2iz4 n THR 87 N 1.69 0.00 -3.45 5.32 -2.24 -0.97 -4.99 114.28 109.64 2iz4 n THR 87 Ca -0.18 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2iz4 n THR 87 Cb 0.54 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 2iz4 n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iz4 n GLY 88 N 0.70 -1.37 3.41 3.38 0.00 -1.26 -5.04 105.19 105.01 2iz4 n GLY 88 Ca 0.04 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 2iz4 n GLY 88 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2iz4 s TRP 89 N -2.96 0.45 -0.01 1.61 0.51 -1.26 -1.63 118.94 115.66 2iz4 s TRP 89 Ca 0.00 -0.80 0.01 0.00 -2.12 0.00 0.00 56.10 53.19 2iz4 s TRP 89 Cb 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 33.47 32.64 2iz4 s TRP 89 CO 0.00 -0.80 -0.03 0.08 -0.51 0.00 0.00 176.95 175.69 2iz4 s VAL 90 N -4.00 0.27 0.00 4.03 1.01 0.15 -4.90 120.40 116.97 2iz4 s VAL 90 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2iz4 s VAL 90 Cb 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.15 2iz4 s VAL 90 CO 0.04 0.10 0.00 -0.11 0.00 0.00 0.00 175.10 175.13