#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 -2.59 -0.03 -0.02 0.00 1.13 0.12 -4.99 117.35 110.97 2iz4 s TYR 3 Ca 0.38 0.13 -0.09 0.00 -1.41 0.00 0.00 57.07 56.08 2iz4 s TYR 3 Cb 0.04 -0.07 -0.05 0.00 -1.10 0.00 0.00 41.96 40.78 2iz4 s TYR 3 CO 0.21 -0.05 0.28 -0.06 -2.51 0.00 0.00 175.55 173.41 2iz4 s PHE 4 N 0.40 3.62 -0.09 -3.49 0.08 -1.26 -1.42 117.98 115.83 2iz4 s PHE 4 Ca -0.03 0.68 0.03 0.00 0.12 0.00 0.00 56.93 57.73 2iz4 s PHE 4 Cb -0.05 -2.06 -0.02 0.00 -0.57 0.00 0.00 43.02 40.33 2iz4 s PHE 4 CO -0.01 0.65 -0.18 0.42 -0.10 0.00 0.00 175.22 176.00 2iz4 s ILE 5 N -1.18 2.68 -0.49 0.64 1.01 -0.18 -4.98 121.20 118.70 2iz4 s ILE 5 Ca 0.23 -0.83 -0.28 0.00 0.00 0.00 0.00 60.65 59.78 2iz4 s ILE 5 Cb -0.14 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.28 2iz4 s ILE 5 CO 0.12 0.56 1.52 -2.16 0.00 0.00 0.00 174.94 174.98 2iz4 s PRO 6 N -0.08 3.31 -0.25 2.79 0.04 -1.26 -0.89 135.00 138.67 2iz4 s PRO 6 Ca -0.04 0.77 -0.40 0.00 0.04 0.00 0.00 61.00 61.36 2iz4 s PRO 6 Cb -0.14 -4.13 -0.16 0.00 0.04 0.00 0.00 34.50 30.10 2iz4 s PRO 6 CO 0.04 -1.90 1.65 -1.71 0.04 0.00 0.00 177.00 175.13 2iz4 n ASN 7 N 9.81 2.09 -0.04 6.66 5.15 -0.90 -4.81 115.26 133.23 2iz4 n ASN 7 Ca 0.16 1.10 0.14 0.00 -0.60 0.00 0.00 54.58 55.38 2iz4 n ASN 7 Cb 0.49 -1.11 0.66 0.00 -0.53 0.00 0.00 39.78 39.29 2iz4 n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2iz4 n GLN 8 N 4.72 0.42 -2.91 1.20 1.13 -1.12 -4.83 117.38 115.99 2iz4 n GLN 8 Ca 0.26 -0.07 -0.32 0.00 -1.94 0.00 0.00 57.00 54.93 2iz4 n GLN 8 Cb 0.11 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 28.92 2iz4 n GLN 8 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2iz4 s SER 9 N -2.63 6.67 0.00 1.08 0.15 -1.26 -4.88 113.70 112.82 2iz4 s SER 9 Ca 0.25 1.29 0.23 0.00 0.70 0.00 0.00 55.95 58.42 2iz4 s SER 9 Cb 0.20 -2.38 0.45 0.00 -1.71 0.00 0.00 66.02 62.57 2iz4 s SER 9 CO 0.49 -0.34 1.41 0.18 1.20 0.00 0.00 173.24 176.18 2iz4 n LEU 10 N -0.91 3.52 -4.55 3.45 4.77 -1.26 -4.87 117.00 117.14 2iz4 n LEU 10 Ca 0.04 -1.58 -0.34 0.00 -0.03 0.00 0.00 56.01 54.10 2iz4 n LEU 10 Cb 0.54 -0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 2iz4 n LEU 10 CO 0.44 0.78 -0.32 -1.59 -1.33 0.00 0.00 177.39 175.37 2iz4 s LYS 11 N -1.40 3.74 0.00 3.23 0.00 -1.26 -4.99 119.74 119.06 2iz4 s LYS 11 Ca 0.39 -0.46 0.24 0.00 0.00 0.00 0.00 55.97 56.15 2iz4 s LYS 11 Cb 0.23 -3.01 1.12 0.00 0.00 0.00 0.00 37.83 36.17 2iz4 s LYS 11 CO 0.31 0.28 1.79 -0.35 0.00 0.00 0.00 175.35 177.38 2iz4 n PRO 12 N 3.45 0.15 0.09 1.78 -0.04 -1.26 -3.02 135.00 136.15 2iz4 n PRO 12 Ca -0.17 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.49 2iz4 n PRO 12 Cb 0.52 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.74 2iz4 n PRO 12 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2iz4 h ASN 13 N 0.00 0.00 -5.29 3.54 -0.73 -1.88 -3.42 115.58 107.80 2iz4 h ASN 13 Ca 0.00 -0.12 -0.09 0.00 1.87 0.00 0.00 56.30 57.96 2iz4 h ASN 13 Cb 0.34 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 38.83 2iz4 h ASN 13 CO 0.00 0.06 -0.16 -1.61 -0.37 0.00 0.00 177.43 175.35 2iz4 s GLU 14 N -3.15 1.56 -0.03 6.67 2.02 -1.17 -1.95 118.70 122.66 2iz4 s GLU 14 Ca 0.08 -1.33 0.04 0.00 0.02 0.00 0.00 54.97 53.78 2iz4 s GLU 14 Cb 0.12 0.45 -0.01 0.00 0.10 0.00 0.00 34.13 34.80 2iz4 s GLU 14 CO 0.67 -0.64 -0.16 0.00 0.02 0.00 0.00 175.26 175.16 2iz4 s GLN 16 N -0.14 4.01 0.72 0.00 0.74 -1.26 -2.94 119.66 120.79 2iz4 s GLN 16 Ca 0.01 -0.31 -0.02 0.00 0.05 0.00 0.00 55.36 55.09 2iz4 s GLN 16 Cb -0.09 -3.46 0.12 0.00 1.10 0.00 0.00 33.01 30.68 2iz4 s GLN 16 CO 0.01 0.07 0.99 0.34 -0.55 0.00 0.00 175.29 176.15 2iz4 s ASP 17 N 1.01 4.39 0.45 6.67 -1.08 -0.61 -2.81 116.67 124.69 2iz4 s ASP 17 Ca 0.07 -0.24 0.19 0.00 -0.52 0.00 0.00 52.55 52.04 2iz4 s ASP 17 Cb -0.14 -0.19 1.07 0.00 -1.46 0.00 0.00 42.92 42.21 2iz4 s ASP 17 CO 0.04 -1.83 1.97 -0.07 0.52 0.00 0.00 175.17 175.80 2iz4 h LEU 18 N -0.54 0.00 0.00 -1.34 4.07 -1.98 -1.67 115.31 113.85 2iz4 h LEU 18 Ca -0.38 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.58 2iz4 h LEU 18 Cb 1.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.01 2iz4 h LEU 18 CO 0.42 0.21 0.00 0.29 -1.08 0.00 0.00 178.44 178.29 2iz4 n LYS 19 N -4.00 0.94 -1.55 1.13 5.02 -1.26 -4.83 118.16 113.61 2iz4 n LYS 19 Ca -0.02 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.13 2iz4 n LYS 19 Cb 0.29 -1.07 -0.05 0.00 -0.02 0.00 0.00 35.03 34.18 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 0.51 1.12 3.80 0.72 0.00 -0.63 -4.99 105.19 105.72 2iz4 n GLY 20 Ca 0.03 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.54 4.96 0.19 1.61 0.11 -1.26 -4.88 120.40 118.60 2iz4 s VAL 21 Ca 0.00 -0.07 0.06 0.00 -2.93 0.00 0.00 61.98 59.04 2iz4 s VAL 21 Cb 0.00 -3.16 -0.04 0.00 -1.53 0.00 0.00 36.38 31.65 2iz4 s VAL 21 CO 0.00 0.56 0.12 -0.94 -3.33 0.00 0.00 175.10 171.51 2iz4 s SER 22 N -1.13 5.37 -0.00 3.54 1.04 -1.26 -1.58 113.70 119.68 2iz4 s SER 22 Ca 0.16 -0.21 -0.03 0.00 0.48 0.00 0.00 55.95 56.35 2iz4 s SER 22 Cb -0.12 -1.35 -0.00 0.00 0.10 0.00 0.00 66.02 64.65 2iz4 s SER 22 CO 0.06 0.05 0.06 -1.00 0.98 0.00 0.00 173.24 173.38 2iz4 s HIS 23 N -1.84 0.06 0.43 5.02 3.76 -1.15 -4.98 115.29 116.59 2iz4 s HIS 23 Ca 0.31 -0.13 -0.26 0.00 -0.15 0.00 0.00 55.06 54.83 2iz4 s HIS 23 Cb -0.09 -0.06 -0.09 0.00 1.11 0.00 0.00 32.58 33.45 2iz4 s HIS 23 CO 0.23 -0.16 1.41 -1.25 -0.85 0.00 0.00 174.74 174.12 2iz4 s PRO 24 N -0.85 3.81 0.26 8.40 0.04 -1.26 -2.91 135.00 142.48 2iz4 s PRO 24 Ca -0.09 2.39 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 2iz4 s PRO 24 Cb -0.06 -2.73 -0.11 0.00 0.04 0.00 0.00 34.50 31.65 2iz4 s PRO 24 CO 0.00 -0.71 1.51 -1.17 0.04 0.00 0.00 177.00 176.68 2iz4 s LEU 25 N -2.56 4.37 0.00 -3.56 2.96 -0.82 -2.30 118.68 116.77 2iz4 s LEU 25 Ca 0.59 2.77 0.00 0.00 -0.22 0.00 0.00 54.13 57.27 2iz4 s LEU 25 Cb -0.43 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.64 2iz4 s LEU 25 CO 0.56 -0.79 0.00 -3.20 -1.32 0.00 0.00 176.35 171.59 2iz4 n ASN 26 N 2.44 0.00 -4.86 3.68 2.85 0.56 -4.98 115.26 114.95 2iz4 n ASN 26 Ca 0.08 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.24 2iz4 n ASN 26 Cb 0.39 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.41 2iz4 n ASN 26 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2iz4 s SER 27 N -3.21 6.31 0.04 1.20 0.01 -0.97 -4.85 113.70 112.23 2iz4 s SER 27 Ca 0.00 1.45 0.08 0.00 1.31 0.00 0.00 55.95 58.78 2iz4 s SER 27 Cb 0.00 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 2iz4 s SER 27 CO 0.00 -0.81 -0.22 0.54 0.41 0.00 0.00 173.24 173.16 2iz4 s VAL 28 N -3.06 1.77 0.21 3.43 0.11 -1.26 -2.93 120.40 118.67 2iz4 s VAL 28 Ca 0.56 -1.20 -0.12 0.00 -2.93 0.00 0.00 61.98 58.29 2iz4 s VAL 28 Cb -0.11 -1.52 -0.00 0.00 -1.53 0.00 0.00 36.38 33.22 2iz4 s VAL 28 CO 0.49 0.28 0.41 -1.66 -3.33 0.00 0.00 175.10 171.29 2iz4 s TRP 29 N -0.76 0.34 0.03 1.54 -2.14 -0.81 -5.01 118.94 112.14 2iz4 s TRP 29 Ca 0.08 -0.70 0.05 0.00 2.66 0.00 0.00 56.10 58.20 2iz4 s TRP 29 Cb -0.09 0.11 -0.02 0.00 -3.10 0.00 0.00 33.47 30.37 2iz4 s TRP 29 CO 0.01 -0.88 -0.15 0.15 -2.66 0.00 0.00 176.95 173.42 2iz4 s LYS 30 N -3.99 1.05 0.52 3.25 1.02 -1.26 -1.25 119.74 119.09 2iz4 s LYS 30 Ca 0.20 -0.74 0.07 0.00 0.02 0.00 0.00 55.97 55.52 2iz4 s LYS 30 Cb 0.01 -1.07 0.07 0.00 -0.52 0.00 0.00 37.83 36.32 2iz4 s LYS 30 CO 0.05 0.27 0.57 0.25 -0.92 0.00 0.00 175.35 175.57 2iz4 n THR 31 N 2.05 0.00 0.30 2.17 -2.24 -1.15 -4.98 114.28 110.44 2iz4 n THR 31 Ca -0.17 -1.91 0.19 0.00 -2.27 0.00 0.00 64.05 59.89 2iz4 n THR 31 Cb 0.55 -0.31 1.01 0.00 -2.10 0.00 0.00 70.33 69.48 2iz4 n THR 31 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2iz4 h LYS 32 N 0.00 0.00 -0.99 -0.78 1.57 -2.02 -1.15 116.57 113.20 2iz4 h LYS 32 Ca -0.29 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.45 2iz4 h LYS 32 Cb 1.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 2iz4 h LYS 32 CO 0.43 0.00 0.05 -0.25 -0.57 0.00 0.00 179.45 179.11 2iz4 n ASP 33 N -3.39 2.63 -0.76 0.86 8.00 -1.26 -4.80 116.55 117.84 2iz4 n ASP 33 Ca -0.02 -2.16 -0.02 0.00 0.71 0.00 0.00 54.79 53.31 2iz4 n ASP 33 Cb 0.17 -0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.73 2iz4 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2iz4 s GLU 35 N -1.62 2.41 -0.05 0.00 -1.05 -1.26 -4.02 118.70 113.11 2iz4 s GLU 35 Ca 0.00 -0.38 0.04 0.00 -0.15 0.00 0.00 54.97 54.47 2iz4 s GLU 35 Cb 0.00 -2.29 0.00 0.00 -0.44 0.00 0.00 34.13 31.41 2iz4 s GLU 35 CO 0.00 -0.99 -0.16 -1.83 0.95 0.00 0.00 175.26 173.22 2iz4 s GLU 36 N -5.06 1.86 0.00 -4.83 -1.05 -0.51 -2.93 118.70 106.19 2iz4 s GLU 36 Ca 0.58 -0.57 0.03 0.00 -0.15 0.00 0.00 54.97 54.86 2iz4 s GLU 36 Cb -0.11 -1.56 -0.01 0.00 -0.44 0.00 0.00 34.13 32.01 2iz4 s GLU 36 CO 0.43 0.18 -0.10 0.00 0.95 0.00 0.00 175.26 176.72 2iz4 s THR 38 N -0.40 1.55 -0.08 0.00 -4.23 -0.58 -1.92 115.64 109.98 2iz4 s THR 38 Ca 0.02 -0.73 -0.30 0.00 -1.18 0.00 0.00 61.69 59.51 2iz4 s THR 38 Cb -0.05 -1.37 -0.02 0.00 1.34 0.00 0.00 72.50 72.41 2iz4 s THR 38 CO -0.00 0.45 1.01 0.00 -0.54 0.00 0.00 174.62 175.54 2iz4 n GLY 40 N 3.06 3.33 0.10 0.00 0.00 -1.16 -0.32 105.19 110.20 2iz4 n GLY 40 Ca 0.08 -1.96 -0.02 0.00 0.00 0.00 0.00 46.02 44.11 2iz4 n GLY 40 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2iz4 h GLN 41 N 0.00 -0.14 0.00 1.61 5.75 -1.91 -3.42 115.11 117.00 2iz4 h GLN 41 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2iz4 h GLN 41 Cb 0.00 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.58 2iz4 h GLN 41 CO 0.00 -0.09 -0.20 -3.47 -2.65 0.00 0.00 178.83 172.42 2iz4 n ASP 42 N -4.58 1.33 -3.64 -0.69 2.03 -1.26 -4.37 116.55 105.37 2iz4 n ASP 42 Ca -0.02 -2.55 -0.05 0.00 0.52 0.00 0.00 54.79 52.69 2iz4 n ASP 42 Cb 0.06 -0.31 -0.07 0.00 -0.72 0.00 0.00 41.12 40.08 2iz4 n ASP 42 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2iz4 s ALA 43 N -1.57 -1.99 0.13 -1.67 0.00 -1.26 -2.11 121.76 113.29 2iz4 s ALA 43 Ca 0.17 2.37 -0.20 0.00 0.00 0.00 0.00 51.96 54.31 2iz4 s ALA 43 Cb 0.15 -1.53 -0.07 0.00 0.00 0.00 0.00 23.12 21.67 2iz4 s ALA 43 CO 0.02 -0.44 0.63 0.42 0.00 0.00 0.00 175.76 176.38 2iz4 s ILE 44 N 1.72 4.67 -0.32 0.00 1.01 -0.07 -3.00 121.20 125.21 2iz4 s ILE 44 Ca -0.09 1.24 -0.06 0.00 0.00 0.00 0.00 60.65 61.74 2iz4 s ILE 44 Cb -0.05 -3.90 0.03 0.00 0.01 0.00 0.00 42.46 38.54 2iz4 s ILE 44 CO -0.19 0.44 0.09 -0.44 0.00 0.00 0.00 174.94 174.84 2iz4 s SER 45 N -1.31 5.22 -0.01 3.58 0.01 -0.66 -1.01 113.70 119.52 2iz4 s SER 45 Ca 0.34 -1.03 0.05 0.00 1.31 0.00 0.00 55.95 56.62 2iz4 s SER 45 Cb -0.19 -1.86 -0.03 0.00 0.21 0.00 0.00 66.02 64.15 2iz4 s SER 45 CO 0.21 -0.29 -0.15 0.00 0.41 0.00 0.00 173.24 173.42 2iz4 s ASN 48 N -1.51 7.06 0.00 0.00 2.47 -1.25 -1.42 114.94 120.29 2iz4 s ASN 48 Ca -0.15 1.27 0.24 0.00 0.42 0.00 0.00 52.86 54.65 2iz4 s ASN 48 Cb -0.09 -2.44 0.29 0.00 -1.45 0.00 0.00 41.25 37.57 2iz4 s ASN 48 CO -0.01 -0.12 1.31 0.35 -3.72 0.00 0.00 177.10 174.91 2iz4 n THR 49 N 3.69 0.00 -2.71 -5.21 -2.24 -1.26 -4.93 114.28 101.62 2iz4 n THR 49 Ca -0.01 -0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 2iz4 n THR 49 Cb 0.51 1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 69.98 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 -2.12 3.17 0.31 6.98 0.00 -1.26 -5.00 121.76 123.84 2iz4 s ALA 50 Ca 0.27 0.54 -0.29 0.00 0.00 0.00 0.00 51.96 52.48 2iz4 s ALA 50 Cb 0.20 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.88 2iz4 s ALA 50 CO 0.37 -0.21 1.51 0.00 0.00 0.00 0.00 175.76 177.44 2iz4 s ALA 51 N 0.90 3.66 -0.63 0.00 0.00 -1.26 -4.89 121.76 119.54 2iz4 s ALA 51 Ca 0.51 1.51 -0.17 0.00 0.00 0.00 0.00 51.96 53.81 2iz4 s ALA 51 Cb -0.21 -3.61 0.14 0.00 0.00 0.00 0.00 23.12 19.43 2iz4 s ALA 51 CO 0.28 -0.94 0.65 0.42 0.00 0.00 0.00 175.76 176.17 2iz4 s ILE 52 N -0.43 5.11 0.79 0.00 -1.09 -0.02 -4.41 121.20 121.15 2iz4 s ILE 52 Ca 0.58 -1.48 -0.11 0.00 -2.23 0.00 0.00 60.65 57.41 2iz4 s ILE 52 Cb -0.46 -4.44 0.07 0.00 -1.58 0.00 0.00 42.46 36.05 2iz4 s ILE 52 CO 0.52 -1.02 1.11 -2.16 -1.23 0.00 0.00 174.94 172.16 2iz4 s PRO 53 N 1.81 2.04 0.20 2.79 0.04 -1.26 -1.13 135.00 139.48 2iz4 s PRO 53 Ca 0.10 1.29 -0.04 0.00 0.04 0.00 0.00 61.00 62.38 2iz4 s PRO 53 Cb -0.23 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.46 2iz4 s PRO 53 CO 0.02 -1.83 0.34 -2.37 0.04 0.00 0.00 177.00 173.20 2iz4 n THR 54 N -3.55 0.00 -0.91 1.26 5.66 -0.84 -4.90 114.28 111.00 2iz4 n THR 54 Ca 0.10 -0.75 0.00 0.00 -3.05 0.00 0.00 64.05 60.35 2iz4 n THR 54 Cb 0.53 0.56 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 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 -0.30 0.93 3.92 1.09 0.00 -1.26 -1.96 105.19 107.60 2iz4 n GLY 55 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.69 1.50 -0.84 1.61 -0.85 -1.03 -4.72 117.35 109.34 2iz4 s TYR 56 Ca 0.00 0.31 -0.25 0.00 -0.52 0.00 0.00 57.07 56.60 2iz4 s TYR 56 Cb 0.00 -4.13 0.03 0.00 0.38 0.00 0.00 41.96 38.24 2iz4 s TYR 56 CO 0.00 -2.73 1.43 -0.51 -1.52 0.00 0.00 175.55 172.22 2iz4 s ASP 57 N -4.87 6.14 0.47 -0.18 1.01 -1.26 -4.83 116.67 113.16 2iz4 s ASP 57 Ca 0.74 -0.76 0.31 0.00 0.71 0.00 0.00 52.55 53.55 2iz4 s ASP 57 Cb -0.04 -2.56 1.67 0.00 1.01 0.00 0.00 42.92 43.00 2iz4 s ASP 57 CO 0.53 -1.82 1.94 0.71 0.21 0.00 0.00 175.17 176.73 2iz4 h THR 58 N 6.46 0.00 0.00 -1.27 1.35 -1.93 2.66 112.91 120.19 2iz4 h THR 58 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 2iz4 h THR 58 Cb 1.04 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2iz4 h THR 58 CO 1.32 0.00 -1.25 0.59 -0.25 0.00 0.00 175.52 175.93 2iz4 n ASN 59 N -2.59 0.77 -0.26 5.36 4.13 -1.26 -4.46 115.26 116.94 2iz4 n ASN 59 Ca -0.02 -0.60 0.02 0.00 1.68 0.00 0.00 54.58 55.66 2iz4 n ASN 59 Cb 0.07 1.32 0.03 0.00 -1.54 0.00 0.00 39.78 39.67 2iz4 n ASN 59 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2iz4 n LYS 60 N -1.71 0.57 -3.55 3.52 4.81 0.25 -4.97 118.16 117.08 2iz4 n LYS 60 Ca 0.01 -1.31 -0.13 0.00 -0.87 0.00 0.00 58.31 56.01 2iz4 n LYS 60 Cb 0.37 -0.77 -0.04 0.00 0.02 0.00 0.00 35.03 34.60 2iz4 n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2iz4 s GLN 62 N -3.06 0.41 -0.15 0.00 -2.07 -0.80 -4.36 119.66 109.62 2iz4 s GLN 62 Ca -0.02 -0.52 -0.19 0.00 -1.82 0.00 0.00 55.36 52.80 2iz4 s GLN 62 Cb -0.00 0.16 -0.03 0.00 -1.09 0.00 0.00 33.01 32.04 2iz4 s GLN 62 CO -0.07 -0.09 0.55 -1.59 -1.32 0.00 0.00 175.29 172.78 2iz4 s LYS 63 N -1.50 4.28 -0.03 9.60 0.00 -1.26 -2.79 119.74 128.04 2iz4 s LYS 63 Ca -0.15 0.53 0.02 0.00 0.00 0.00 0.00 55.97 56.36 2iz4 s LYS 63 Cb -0.08 -3.51 0.01 0.00 0.00 0.00 0.00 37.83 34.25 2iz4 s LYS 63 CO -0.00 -0.03 -0.06 0.42 0.00 0.00 0.00 175.35 175.68 2iz4 s ILE 64 N 1.22 0.56 -0.25 3.79 1.01 -0.30 -5.02 121.20 122.21 2iz4 s ILE 64 Ca 0.27 -0.21 -0.17 0.00 0.00 0.00 0.00 60.65 60.55 2iz4 s ILE 64 Cb -0.16 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 2iz4 s ILE 64 CO 0.11 0.20 0.45 -0.22 0.00 0.00 0.00 174.94 175.48 2iz4 s LEU 65 N 0.44 4.07 -0.12 2.97 2.96 -1.26 -1.28 118.68 126.45 2iz4 s LEU 65 Ca -0.06 0.46 -0.30 0.00 -0.22 0.00 0.00 54.13 54.01 2iz4 s LEU 65 Cb -0.10 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.01 2iz4 s LEU 65 CO 0.00 -0.22 1.09 0.21 -1.32 0.00 0.00 176.35 176.12 2iz4 s ASN 66 N 1.48 7.13 0.06 3.68 3.04 0.20 -4.90 114.94 125.63 2iz4 s ASN 66 Ca 0.19 1.60 0.26 0.00 0.04 0.00 0.00 52.86 54.95 2iz4 s ASN 66 Cb -0.16 -2.55 0.79 0.00 -1.54 0.00 0.00 41.25 37.80 2iz4 s ASN 66 CO 0.09 -0.56 1.65 0.29 -3.04 0.00 0.00 177.10 175.53 2iz4 n LYS 67 N 5.48 0.10 0.18 0.43 4.01 -1.26 -1.03 118.16 126.07 2iz4 n LYS 67 Ca 0.11 0.05 -0.14 0.00 -0.51 0.00 0.00 58.31 57.82 2iz4 n LYS 67 Cb 0.47 -1.59 -0.08 0.00 -0.51 0.00 0.00 35.03 33.32 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 0.00 -0.44 -0.17 1.97 1.57 -1.96 -3.32 116.57 114.23 2iz4 h LYS 68 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2iz4 h LYS 68 Cb 0.59 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2iz4 h LYS 68 CO 0.00 -0.16 0.00 0.25 -0.57 0.00 0.00 179.45 178.97 2iz4 n THR 69 N -5.19 1.26 -3.58 -0.16 -2.24 -1.25 -5.02 114.28 98.09 2iz4 n THR 69 Ca -0.10 -1.25 -0.19 0.00 -2.27 0.00 0.00 64.05 60.24 2iz4 n THR 69 Cb 0.25 0.33 0.01 0.00 -2.10 0.00 0.00 70.33 68.82 2iz4 n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iz4 s THR 71 N -3.06 0.06 0.18 0.00 2.01 -0.93 -4.88 115.64 109.02 2iz4 s THR 71 Ca 0.07 -0.50 -0.27 0.00 0.31 0.00 0.00 61.69 61.31 2iz4 s THR 71 Cb -0.03 -0.45 -0.08 0.00 0.01 0.00 0.00 72.50 71.95 2iz4 s THR 71 CO 0.85 -0.27 0.82 -0.31 -0.69 0.00 0.00 174.62 175.02 2iz4 s TYR 72 N -1.06 3.92 0.03 4.92 2.02 -1.26 -0.63 117.35 125.29 2iz4 s TYR 72 Ca -0.11 1.70 -0.01 0.00 -0.37 0.00 0.00 57.07 58.28 2iz4 s TYR 72 Cb -0.06 -2.83 -0.02 0.00 -0.40 0.00 0.00 41.96 38.65 2iz4 s TYR 72 CO 0.02 0.48 -0.01 -0.08 -1.57 0.00 0.00 175.55 174.39 2iz4 s THR 73 N -1.05 0.15 -0.06 -0.71 -1.32 -0.41 -4.93 115.64 107.31 2iz4 s THR 73 Ca 0.38 -1.22 0.03 0.00 -1.21 0.00 0.00 61.69 59.67 2iz4 s THR 73 Cb -0.24 -0.75 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 2iz4 s THR 73 CO 0.28 -0.67 -0.16 -0.69 -2.21 0.00 0.00 174.62 171.16 2iz4 s VAL 74 N -2.40 1.39 0.14 5.08 1.01 -1.26 -1.15 120.40 123.21 2iz4 s VAL 74 Ca -0.07 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2iz4 s VAL 74 Cb -0.03 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2iz4 s VAL 74 CO -0.04 0.41 -0.08 0.68 0.00 0.00 0.00 175.10 176.06 2iz4 s VAL 75 N 0.32 0.99 0.09 2.92 -7.23 -1.12 -1.92 120.40 114.45 2iz4 s VAL 75 Ca -0.10 -2.02 -0.31 0.00 -1.81 0.00 0.00 61.98 57.75 2iz4 s VAL 75 Cb -0.14 -1.83 -0.06 0.00 0.56 0.00 0.00 36.38 34.91 2iz4 s VAL 75 CO 0.04 -0.76 1.23 -1.61 -0.31 0.00 0.00 175.10 173.68 2iz4 s GLU 76 N -3.79 4.43 0.29 4.82 2.02 -0.88 -1.91 118.70 123.68 2iz4 s GLU 76 Ca 0.16 1.83 0.03 0.00 0.02 0.00 0.00 54.97 57.01 2iz4 s GLU 76 Cb 0.04 -3.32 0.64 0.00 0.10 0.00 0.00 34.13 31.60 2iz4 s GLU 76 CO -0.01 -0.26 1.80 0.87 0.02 0.00 0.00 175.26 177.69 2iz4 h LYS 77 N 6.56 0.83 0.00 1.61 1.57 -1.83 0.36 116.57 125.67 2iz4 h LYS 77 Ca -0.42 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.25 2iz4 h LYS 77 Cb 1.21 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2iz4 h LYS 77 CO 0.81 0.55 -0.30 0.87 -0.57 0.00 0.00 179.45 180.81 2iz4 h LYS 78 N 0.86 0.00 -3.43 3.15 1.57 -1.91 -3.39 116.57 113.42 2iz4 h LYS 78 Ca 0.54 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.72 2iz4 h LYS 78 Cb 0.71 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.62 2iz4 h LYS 78 CO -0.33 0.30 -0.75 -0.51 -0.57 0.00 0.00 179.45 177.59 2iz4 s ASP 79 N -6.29 3.94 0.00 0.86 1.11 0.12 -4.96 116.67 111.45 2iz4 s ASP 79 Ca 0.02 -1.98 0.29 0.00 0.18 0.00 0.00 52.55 51.06 2iz4 s ASP 79 Cb 0.09 -0.95 1.62 0.00 1.07 0.00 0.00 42.92 44.75 2iz4 s ASP 79 CO 0.68 -0.37 2.05 -0.81 1.18 0.00 0.00 175.17 177.90 2iz4 n PRO 80 N 4.40 0.69 -0.18 8.23 -0.04 -1.07 -2.07 135.00 144.95 2iz4 n PRO 80 Ca 0.02 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 2iz4 n PRO 80 Cb 0.40 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.97 1.71 3.14 0.55 0.00 -1.26 -4.92 105.19 105.39 2iz4 n GLY 81 Ca 0.18 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 2iz4 n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iz4 s LYS 82 N -1.34 0.75 0.69 1.61 1.02 -1.12 -5.09 119.74 116.25 2iz4 s LYS 82 Ca 0.35 -0.99 -0.08 0.00 0.02 0.00 0.00 55.97 55.27 2iz4 s LYS 82 Cb 0.20 -0.53 0.04 0.00 -0.52 0.00 0.00 37.83 37.03 2iz4 s LYS 82 CO 0.28 0.10 1.01 0.95 -0.92 0.00 0.00 175.35 176.77 2iz4 s THR 83 N -1.85 2.76 0.00 2.17 -4.23 -1.26 -2.25 115.64 110.98 2iz4 s THR 83 Ca -0.01 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2iz4 s THR 83 Cb -0.07 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.59 2iz4 s THR 83 CO 0.01 -0.20 0.00 0.00 -0.54 0.00 0.00 174.62 173.88 2iz4 s ASP 85 N -0.44 -0.39 0.00 0.00 2.15 -1.26 -5.06 116.67 111.67 2iz4 s ASP 85 Ca 0.00 0.71 0.04 0.00 0.43 0.00 0.00 52.55 53.74 2iz4 s ASP 85 Cb 0.00 0.61 -0.01 0.00 -0.30 0.00 0.00 42.92 43.22 2iz4 s ASP 85 CO 0.00 -0.17 -0.13 0.68 -0.17 0.00 0.00 175.17 175.38 2iz4 s VAL 86 N 1.19 1.05 -1.91 1.11 -7.23 -1.26 -2.45 120.40 110.89 2iz4 s VAL 86 Ca -0.08 -0.69 0.19 0.00 -1.81 0.00 0.00 61.98 59.59 2iz4 s VAL 86 Cb -0.08 -0.90 0.05 0.00 0.56 0.00 0.00 36.38 36.01 2iz4 s VAL 86 CO -0.09 0.20 0.99 1.07 -0.31 0.00 0.00 175.10 176.96 2iz4 n THR 87 N 2.50 0.00 -3.67 5.32 5.66 -0.83 -5.00 114.28 118.27 2iz4 n THR 87 Ca -0.15 -0.38 0.00 0.00 -3.05 0.00 0.00 64.05 60.47 2iz4 n THR 87 Cb 0.55 1.28 0.00 0.00 -1.55 0.00 0.00 70.33 70.61 2iz4 n THR 87 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2iz4 n GLY 88 N 1.18 -1.11 3.58 1.09 0.00 -1.26 -5.04 105.19 103.63 2iz4 n GLY 88 Ca 0.09 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.00 0.42 -0.01 1.61 0.51 -1.26 -1.98 118.94 115.23 2iz4 s TRP 89 Ca 0.00 -0.78 0.01 0.00 -2.12 0.00 0.00 56.10 53.22 2iz4 s TRP 89 Cb 0.00 0.17 0.00 0.00 -0.81 0.00 0.00 33.47 32.83 2iz4 s TRP 89 CO 0.00 -1.01 -0.04 0.08 -0.51 0.00 0.00 176.95 175.48 2iz4 s VAL 90 N -3.93 0.31 0.00 4.03 1.01 -0.29 -4.88 120.40 116.65 2iz4 s VAL 90 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2iz4 s VAL 90 Cb -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.10 2iz4 s VAL 90 CO 0.10 0.10 0.02 -0.11 0.00 0.00 0.00 175.10 175.21