#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 -2.83 -0.90 0.40 0.00 1.13 -0.48 -5.01 117.35 109.67 2iz4 s TYR 3 Ca 0.17 2.01 -0.23 0.00 -1.41 0.00 0.00 57.07 57.61 2iz4 s TYR 3 Cb 0.05 0.41 -0.11 0.00 -1.10 0.00 0.00 41.96 41.21 2iz4 s TYR 3 CO 0.09 -0.44 0.95 -0.06 -2.51 0.00 0.00 175.55 173.58 2iz4 s PHE 4 N 0.86 3.43 -0.06 -3.49 0.08 -1.26 -2.68 117.98 114.86 2iz4 s PHE 4 Ca -0.04 1.67 0.04 0.00 0.12 0.00 0.00 56.93 58.72 2iz4 s PHE 4 Cb -0.05 -2.88 -0.00 0.00 -0.57 0.00 0.00 43.02 39.52 2iz4 s PHE 4 CO -0.07 -0.03 -0.20 0.42 -0.10 0.00 0.00 175.22 175.24 2iz4 s ILE 5 N -1.99 1.67 -0.61 0.64 1.01 -0.29 -4.97 121.20 116.67 2iz4 s ILE 5 Ca 0.58 -0.83 -0.27 0.00 0.00 0.00 0.00 60.65 60.13 2iz4 s ILE 5 Cb -0.12 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.91 2iz4 s ILE 5 CO 0.17 0.47 1.58 -2.16 0.00 0.00 0.00 174.94 175.01 2iz4 s PRO 6 N 0.14 3.01 0.23 2.79 0.04 -1.26 -0.72 135.00 139.22 2iz4 s PRO 6 Ca -0.08 0.41 -0.30 0.00 0.04 0.00 0.00 61.00 61.07 2iz4 s PRO 6 Cb -0.14 -4.25 -0.15 0.00 0.04 0.00 0.00 34.50 30.00 2iz4 s PRO 6 CO 0.04 -2.30 0.96 -1.71 0.04 0.00 0.00 177.00 174.03 2iz4 n ASN 7 N 10.85 0.79 -1.95 6.66 5.15 -0.78 -4.87 115.26 131.11 2iz4 n ASN 7 Ca 0.14 1.16 -0.23 0.00 -0.60 0.00 0.00 54.58 55.05 2iz4 n ASN 7 Cb 0.50 -1.20 0.12 0.00 -0.53 0.00 0.00 39.78 38.68 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 1.08 2.54 -4.46 1.20 1.13 -1.23 -4.85 117.38 112.79 2iz4 n GLN 8 Ca 0.13 -3.37 -0.29 0.00 -1.94 0.00 0.00 57.00 51.53 2iz4 n GLN 8 Cb 0.28 -2.14 -0.13 0.00 0.11 0.00 0.00 30.24 28.36 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 -2.23 3.56 0.00 1.08 1.04 -1.26 -4.73 113.70 111.15 2iz4 s SER 9 Ca 0.55 -0.63 0.23 0.00 0.48 0.00 0.00 55.95 56.59 2iz4 s SER 9 Cb 0.46 -0.39 0.47 0.00 0.10 0.00 0.00 66.02 66.66 2iz4 s SER 9 CO 0.03 0.20 1.43 0.18 0.98 0.00 0.00 173.24 176.05 2iz4 n LEU 10 N 1.05 3.41 -4.68 2.42 4.77 -1.26 -4.90 117.00 117.81 2iz4 n LEU 10 Ca -0.17 -1.49 -0.37 0.00 -0.03 0.00 0.00 56.01 53.95 2iz4 n LEU 10 Cb 0.53 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 41.27 2iz4 n LEU 10 CO 0.25 0.75 0.02 -0.54 -1.33 0.00 0.00 177.39 176.54 2iz4 s LYS 11 N -1.47 4.16 0.00 3.23 1.02 -1.26 -4.96 119.74 120.46 2iz4 s LYS 11 Ca 0.39 0.07 0.29 0.00 0.02 0.00 0.00 55.97 56.75 2iz4 s LYS 11 Cb 0.23 -3.52 1.61 0.00 -0.52 0.00 0.00 37.83 35.63 2iz4 s LYS 11 CO 0.32 0.03 2.06 -0.35 -0.92 0.00 0.00 175.35 176.48 2iz4 n PRO 12 N 4.29 0.66 0.00 -1.68 -0.04 -1.26 -3.00 135.00 133.97 2iz4 n PRO 12 Ca -0.10 0.01 0.02 0.00 -0.04 0.00 0.00 63.50 63.39 2iz4 n PRO 12 Cb 0.51 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.15 1.22 -3.78 3.54 2.04 -1.26 -4.86 115.26 111.01 2iz4 n ASN 13 Ca 0.18 -1.11 -0.13 0.00 -0.44 0.00 0.00 54.58 53.08 2iz4 n ASN 13 Cb 0.17 0.12 -0.10 0.00 -2.53 0.00 0.00 39.78 37.44 2iz4 n ASN 13 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 2iz4 s GLU 14 N -0.49 0.44 -0.01 -3.83 2.02 -1.16 -0.99 118.70 114.68 2iz4 s GLU 14 Ca 0.05 0.20 0.02 0.00 0.02 0.00 0.00 54.97 55.25 2iz4 s GLU 14 Cb 0.04 0.20 -0.03 0.00 0.10 0.00 0.00 34.13 34.43 2iz4 s GLU 14 CO 0.07 -0.08 -0.02 0.00 0.02 0.00 0.00 175.26 175.25 2iz4 s GLN 16 N -1.45 3.18 0.31 0.00 2.00 -1.26 -2.62 119.66 119.81 2iz4 s GLN 16 Ca 0.18 -0.45 0.02 0.00 -2.00 0.00 0.00 55.36 53.12 2iz4 s GLN 16 Cb -0.11 -2.82 0.06 0.00 0.80 0.00 0.00 33.01 30.93 2iz4 s GLN 16 CO 0.09 0.56 0.43 -3.47 -0.50 0.00 0.00 175.29 172.40 2iz4 n ASP 17 N 2.56 0.80 0.19 6.67 2.03 -0.73 -3.50 116.55 124.57 2iz4 n ASP 17 Ca -0.18 -1.62 0.04 0.00 0.52 0.00 0.00 54.79 53.55 2iz4 n ASP 17 Cb 0.53 -0.25 0.35 0.00 -0.72 0.00 0.00 41.12 41.03 2iz4 n ASP 17 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2iz4 h LEU 18 N 0.00 0.00 -0.45 -2.67 -0.00 -2.00 -2.66 115.31 107.54 2iz4 h LEU 18 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 2iz4 h LEU 18 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 2iz4 h LEU 18 CO 0.17 0.39 0.00 1.17 -0.00 0.00 0.00 178.44 180.18 2iz4 n LYS 19 N -3.74 1.30 -0.98 1.13 4.81 -1.26 -4.88 118.16 114.54 2iz4 n LYS 19 Ca -0.01 -0.45 0.00 0.00 -0.87 0.00 0.00 58.31 56.98 2iz4 n LYS 19 Cb 0.47 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 34.11 2iz4 n LYS 19 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2iz4 n GLY 20 N 1.01 0.63 3.77 3.14 0.00 -1.00 -5.02 105.19 107.72 2iz4 n GLY 20 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.51 4.90 0.14 1.61 0.11 -1.26 -4.79 120.40 118.59 2iz4 s VAL 21 Ca 0.00 1.21 0.05 0.00 -2.93 0.00 0.00 61.98 60.31 2iz4 s VAL 21 Cb 0.00 -3.91 -0.04 0.00 -1.53 0.00 0.00 36.38 30.90 2iz4 s VAL 21 CO 0.00 0.44 0.08 -0.44 -3.33 0.00 0.00 175.10 171.85 2iz4 s SER 22 N -0.33 5.30 0.04 3.54 0.01 -1.26 -1.78 113.70 119.21 2iz4 s SER 22 Ca 0.30 -0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.43 2iz4 s SER 22 Cb -0.18 -1.33 -0.02 0.00 0.21 0.00 0.00 66.02 64.70 2iz4 s SER 22 CO 0.17 0.11 -0.09 -1.00 0.41 0.00 0.00 173.24 172.84 2iz4 s HIS 23 N -1.60 0.79 0.53 2.43 3.76 -1.08 -4.99 115.29 115.14 2iz4 s HIS 23 Ca 0.29 -0.39 -0.22 0.00 -0.15 0.00 0.00 55.06 54.60 2iz4 s HIS 23 Cb -0.11 -0.47 -0.05 0.00 1.11 0.00 0.00 32.58 33.06 2iz4 s HIS 23 CO 0.21 -0.03 1.33 -1.25 -0.85 0.00 0.00 174.74 174.15 2iz4 s PRO 24 N -1.22 3.26 1.08 8.40 0.04 -1.26 -3.10 135.00 142.20 2iz4 s PRO 24 Ca -0.05 2.17 -0.20 0.00 0.04 0.00 0.00 61.00 62.97 2iz4 s PRO 24 Cb -0.08 -2.30 0.04 0.00 0.04 0.00 0.00 34.50 32.20 2iz4 s PRO 24 CO 0.01 -1.07 -0.23 -0.11 0.04 0.00 0.00 177.00 175.63 2iz4 n LEU 25 N -0.91 -2.32 0.00 -3.56 7.94 -0.16 -2.15 117.00 115.84 2iz4 n LEU 25 Ca 0.10 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 2iz4 n LEU 25 Cb 0.45 -0.90 0.00 0.00 0.53 0.00 0.00 43.42 43.50 2iz4 n LEU 25 CO 0.52 -3.14 0.00 0.59 -1.11 0.00 0.00 177.39 174.25 2iz4 n ASN 26 N -0.64 -0.91 -4.81 1.96 5.03 -0.85 -4.85 115.26 110.19 2iz4 n ASN 26 Ca 0.01 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.07 2iz4 n ASN 26 Cb 0.63 -0.95 -0.06 0.00 -1.02 0.00 0.00 39.78 38.39 2iz4 n ASN 26 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2iz4 s SER 27 N -0.38 7.03 -0.34 6.41 0.15 -0.91 -4.88 113.70 120.77 2iz4 s SER 27 Ca 0.00 1.22 -0.04 0.00 0.70 0.00 0.00 55.95 57.83 2iz4 s SER 27 Cb 0.00 -2.34 0.06 0.00 -1.71 0.00 0.00 66.02 62.02 2iz4 s SER 27 CO 0.00 0.27 0.09 0.54 1.20 0.00 0.00 173.24 175.34 2iz4 s VAL 28 N -1.12 3.43 0.47 4.45 0.11 -1.26 -3.12 120.40 123.35 2iz4 s VAL 28 Ca 0.29 -1.39 0.06 0.00 -2.93 0.00 0.00 61.98 58.01 2iz4 s VAL 28 Cb -0.19 -3.02 -0.01 0.00 -1.53 0.00 0.00 36.38 31.62 2iz4 s VAL 28 CO 0.18 -0.25 0.25 -1.66 -3.33 0.00 0.00 175.10 170.30 2iz4 s TRP 29 N 1.31 2.21 0.02 1.54 -2.14 -1.01 -4.93 118.94 115.94 2iz4 s TRP 29 Ca -0.01 -0.70 0.06 0.00 2.66 0.00 0.00 56.10 58.10 2iz4 s TRP 29 Cb -0.20 -1.93 -0.02 0.00 -3.10 0.00 0.00 33.47 28.22 2iz4 s TRP 29 CO 0.00 -0.06 -0.17 0.15 -2.66 0.00 0.00 176.95 174.22 2iz4 s LYS 30 N -4.05 1.21 0.00 3.25 1.02 -1.26 -2.42 119.74 117.49 2iz4 s LYS 30 Ca 0.35 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.61 2iz4 s LYS 30 Cb 0.01 -1.23 0.00 0.00 -0.52 0.00 0.00 37.83 36.09 2iz4 s LYS 30 CO 0.20 0.32 0.00 0.25 -0.92 0.00 0.00 175.35 175.20 2iz4 n THR 31 N 2.21 0.00 -0.10 2.17 -2.24 -1.25 -4.95 114.28 110.13 2iz4 n THR 31 Ca -0.16 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.69 2iz4 n THR 31 Cb 0.54 -0.54 0.41 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.60 -0.97 -0.78 1.57 -1.97 0.23 116.57 115.25 2iz4 h LYS 32 Ca 0.00 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2iz4 h LYS 32 Cb 0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2iz4 h LYS 32 CO 0.00 0.40 0.04 -0.25 -0.57 0.00 0.00 179.45 179.06 2iz4 n ASP 33 N -4.47 2.25 -2.00 0.86 9.92 -1.26 -4.66 116.55 117.18 2iz4 n ASP 33 Ca 0.08 -2.15 -0.00 0.00 -0.53 0.00 0.00 54.79 52.18 2iz4 n ASP 33 Cb 0.21 -0.53 -0.00 0.00 -0.64 0.00 0.00 41.12 40.15 2iz4 n ASP 33 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2iz4 s GLU 35 N -3.72 2.18 -0.24 0.00 4.04 -1.26 -4.18 118.70 115.53 2iz4 s GLU 35 Ca 0.01 -0.34 -0.04 0.00 0.04 0.00 0.00 54.97 54.64 2iz4 s GLU 35 Cb -0.00 -2.20 0.00 0.00 0.02 0.00 0.00 34.13 31.95 2iz4 s GLU 35 CO 0.01 -1.22 -0.03 -1.21 -1.84 0.00 0.00 175.26 170.97 2iz4 s GLU 36 N -5.21 3.21 -0.11 -4.83 2.02 -0.13 -3.78 118.70 109.87 2iz4 s GLU 36 Ca 0.60 -0.74 0.03 0.00 0.02 0.00 0.00 54.97 54.89 2iz4 s GLU 36 Cb -0.10 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.08 2iz4 s GLU 36 CO 0.44 -0.28 -0.23 0.00 0.02 0.00 0.00 175.26 175.22 2iz4 s THR 38 N 0.50 2.94 -0.48 0.00 -4.23 -0.64 -2.41 115.64 111.31 2iz4 s THR 38 Ca -0.15 -0.72 -0.27 0.00 -1.18 0.00 0.00 61.69 59.37 2iz4 s THR 38 Cb -0.17 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.50 2iz4 s THR 38 CO 0.06 0.55 1.01 0.00 -0.54 0.00 0.00 174.62 175.69 2iz4 n GLY 40 N 4.93 1.05 1.85 0.00 0.00 -1.23 -2.00 105.19 109.79 2iz4 n GLY 40 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2iz4 n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2iz4 n GLN 41 N -0.88 0.00 -0.11 1.61 6.02 -1.26 -4.76 117.38 117.99 2iz4 n GLN 41 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 2iz4 n GLN 41 Cb 0.00 0.00 0.11 0.00 1.02 0.00 0.00 30.24 31.37 2iz4 n GLN 41 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2iz4 n ASP 42 N -2.39 2.55 -3.67 1.08 5.75 -1.26 -4.84 116.55 113.78 2iz4 n ASP 42 Ca 0.00 -1.85 -0.08 0.00 -0.01 0.00 0.00 54.79 52.86 2iz4 n ASP 42 Cb 0.00 -0.15 -0.09 0.00 -1.03 0.00 0.00 41.12 39.85 2iz4 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2iz4 s ALA 43 N -0.95 -1.43 -0.06 2.12 0.00 -1.26 -1.86 121.76 118.32 2iz4 s ALA 43 Ca 0.18 1.87 -0.21 0.00 0.00 0.00 0.00 51.96 53.79 2iz4 s ALA 43 Cb 0.10 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 2iz4 s ALA 43 CO 0.13 -0.51 0.61 0.42 0.00 0.00 0.00 175.76 176.42 2iz4 s ILE 44 N 1.98 5.05 -0.52 0.00 1.01 0.10 -3.46 121.20 125.35 2iz4 s ILE 44 Ca -0.07 1.26 -0.19 0.00 0.00 0.00 0.00 60.65 61.65 2iz4 s ILE 44 Cb -0.09 -3.95 0.07 0.00 0.01 0.00 0.00 42.46 38.49 2iz4 s ILE 44 CO -0.15 0.31 0.64 -0.55 0.00 0.00 0.00 174.94 175.19 2iz4 s SER 45 N 0.51 6.22 0.13 3.58 0.15 -0.68 -1.14 113.70 122.47 2iz4 s SER 45 Ca 0.33 -1.00 0.05 0.00 0.70 0.00 0.00 55.95 56.03 2iz4 s SER 45 Cb -0.17 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2iz4 s SER 45 CO 0.16 -0.93 0.07 0.00 1.20 0.00 0.00 173.24 173.74 2iz4 s ASN 48 N -1.68 7.32 0.00 0.00 2.47 -1.24 -0.95 114.94 120.85 2iz4 s ASN 48 Ca -0.08 1.58 0.00 0.00 0.42 0.00 0.00 52.86 54.78 2iz4 s ASN 48 Cb -0.02 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 2iz4 s ASN 48 CO 0.02 -0.07 0.82 0.35 -3.72 0.00 0.00 177.10 174.50 2iz4 n THR 49 N 3.09 0.64 -2.60 -5.21 -2.24 -1.26 -4.92 114.28 101.78 2iz4 n THR 49 Ca 0.01 -0.82 -0.42 0.00 -2.27 0.00 0.00 64.05 60.54 2iz4 n THR 49 Cb 0.50 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.64 3.46 0.22 6.98 0.00 -1.26 -4.97 121.76 125.54 2iz4 s ALA 50 Ca 0.00 0.45 -0.32 0.00 0.00 0.00 0.00 51.96 52.10 2iz4 s ALA 50 Cb 0.00 -3.48 -0.12 0.00 0.00 0.00 0.00 23.12 19.52 2iz4 s ALA 50 CO 0.00 -0.71 1.70 0.00 0.00 0.00 0.00 175.76 176.75 2iz4 n ALA 51 N 5.21 2.75 -2.57 0.00 0.00 -1.26 -4.93 120.51 119.71 2iz4 n ALA 51 Ca 0.10 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.50 2iz4 n ALA 51 Cb 0.48 -2.51 -0.08 0.00 0.00 0.00 0.00 19.45 17.33 2iz4 n ALA 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2iz4 s ILE 52 N 0.99 5.12 0.77 0.00 1.01 -0.53 -4.31 121.20 124.24 2iz4 s ILE 52 Ca 0.74 -0.53 -0.13 0.00 0.00 0.00 0.00 60.65 60.72 2iz4 s ILE 52 Cb -0.51 -4.06 0.06 0.00 0.01 0.00 0.00 42.46 37.95 2iz4 s ILE 52 CO 0.35 -0.47 1.14 -2.16 0.00 0.00 0.00 174.94 173.79 2iz4 s PRO 53 N 2.03 2.07 0.28 2.79 0.04 -1.26 -1.63 135.00 139.33 2iz4 s PRO 53 Ca 0.10 1.47 -0.05 0.00 0.04 0.00 0.00 61.00 62.56 2iz4 s PRO 53 Cb -0.19 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 2iz4 s PRO 53 CO 0.12 -1.83 0.40 -0.08 0.04 0.00 0.00 177.00 175.65 2iz4 s THR 54 N -2.47 0.00 0.00 1.26 -1.32 -1.24 -4.90 115.64 106.97 2iz4 s THR 54 Ca 0.67 -1.64 0.00 0.00 -1.21 0.00 0.00 61.69 59.51 2iz4 s THR 54 Cb -0.22 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.29 2iz4 s THR 54 CO 0.50 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.52 2iz4 n GLY 55 N -0.45 0.96 3.85 6.08 0.00 -1.26 -0.97 105.19 113.39 2iz4 n GLY 55 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.76 2.24 -0.73 1.61 -0.85 -1.06 -4.70 117.35 110.09 2iz4 s TYR 56 Ca 0.00 0.63 -0.27 0.00 -0.52 0.00 0.00 57.07 56.91 2iz4 s TYR 56 Cb 0.00 -3.65 0.03 0.00 0.38 0.00 0.00 41.96 38.72 2iz4 s TYR 56 CO 0.00 -2.36 1.26 -0.51 -1.52 0.00 0.00 175.55 172.42 2iz4 s ASP 57 N -4.47 6.16 0.65 -0.18 1.01 -1.26 -4.85 116.67 113.73 2iz4 s ASP 57 Ca 0.67 -0.48 0.41 0.00 0.71 0.00 0.00 52.55 53.86 2iz4 s ASP 57 Cb -0.10 -2.55 2.28 0.00 1.01 0.00 0.00 42.92 43.56 2iz4 s ASP 57 CO 0.52 -1.82 2.34 0.71 0.21 0.00 0.00 175.17 177.14 2iz4 h THR 58 N 6.03 0.14 0.00 -1.27 1.35 -1.93 2.43 112.91 119.66 2iz4 h THR 58 Ca -0.28 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2iz4 h THR 58 Cb 1.05 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2iz4 h THR 58 CO 1.27 0.00 -1.35 0.59 -0.25 0.00 0.00 175.52 175.79 2iz4 n ASN 59 N -3.29 0.53 -0.23 5.36 3.02 -1.26 -4.37 115.26 115.01 2iz4 n ASN 59 Ca -0.03 -0.36 0.03 0.00 -0.03 0.00 0.00 54.58 54.19 2iz4 n ASN 59 Cb 0.07 1.25 0.04 0.00 -0.61 0.00 0.00 39.78 40.54 2iz4 n ASN 59 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2iz4 n LYS 60 N -1.95 0.74 -3.56 3.52 5.02 -0.29 -4.97 118.16 116.67 2iz4 n LYS 60 Ca 0.00 -1.47 -0.13 0.00 -2.02 0.00 0.00 58.31 54.70 2iz4 n LYS 60 Cb 0.45 -0.87 -0.04 0.00 -0.02 0.00 0.00 35.03 34.55 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 -3.08 0.84 -0.22 0.00 -2.07 -0.86 -4.37 119.66 109.90 2iz4 s GLN 62 Ca -0.02 -1.37 -0.06 0.00 -1.82 0.00 0.00 55.36 52.10 2iz4 s GLN 62 Cb -0.00 0.14 -0.02 0.00 -1.09 0.00 0.00 33.01 32.03 2iz4 s GLN 62 CO -0.07 -0.18 0.02 -1.59 -1.32 0.00 0.00 175.29 172.15 2iz4 s LYS 63 N -3.97 3.59 -0.12 9.60 0.00 -1.26 -2.96 119.74 124.62 2iz4 s LYS 63 Ca 0.17 -0.52 0.01 0.00 0.00 0.00 0.00 55.97 55.63 2iz4 s LYS 63 Cb 0.07 -3.15 0.02 0.00 0.00 0.00 0.00 37.83 34.77 2iz4 s LYS 63 CO -0.02 -0.10 -0.14 0.42 0.00 0.00 0.00 175.35 175.51 2iz4 s ILE 64 N 1.31 1.44 -0.30 3.79 -1.09 -0.76 -5.01 121.20 120.58 2iz4 s ILE 64 Ca 0.04 -0.59 -0.22 0.00 -2.23 0.00 0.00 60.65 57.65 2iz4 s ILE 64 Cb -0.15 -1.34 -0.01 0.00 -1.58 0.00 0.00 42.46 39.39 2iz4 s ILE 64 CO 0.01 0.43 0.71 -0.22 -1.23 0.00 0.00 174.94 174.64 2iz4 s LEU 65 N 1.15 4.11 0.13 2.97 2.96 -1.26 -2.10 118.68 126.64 2iz4 s LEU 65 Ca -0.03 0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 54.17 2iz4 s LEU 65 Cb -0.14 -2.95 -0.07 0.00 0.50 0.00 0.00 46.19 43.53 2iz4 s LEU 65 CO -0.04 -0.53 0.91 0.20 -1.32 0.00 0.00 176.35 175.57 2iz4 s ASN 66 N 1.60 7.47 0.00 3.68 0.01 -0.72 -4.94 114.94 122.04 2iz4 s ASN 66 Ca 0.29 1.75 0.23 0.00 -0.71 0.00 0.00 52.86 54.42 2iz4 s ASN 66 Cb -0.15 -2.56 0.18 0.00 0.41 0.00 0.00 41.25 39.13 2iz4 s ASN 66 CO 0.12 0.02 1.20 0.29 -1.51 0.00 0.00 177.10 177.21 2iz4 n LYS 67 N 2.43 0.66 0.18 -0.60 4.01 -1.26 -2.16 118.16 121.41 2iz4 n LYS 67 Ca -0.00 -0.50 -0.13 0.00 -0.51 0.00 0.00 58.31 57.16 2iz4 n LYS 67 Cb 0.49 -1.49 -0.08 0.00 -0.51 0.00 0.00 35.03 33.44 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 1.23 -0.45 -0.10 1.97 6.56 -1.93 -3.33 116.57 120.52 2iz4 h LYS 68 Ca 0.00 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 2iz4 h LYS 68 Cb 0.60 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.36 2iz4 h LYS 68 CO 0.00 -0.13 0.00 -2.37 -2.06 0.00 0.00 179.45 174.89 2iz4 n THR 69 N -5.15 0.24 -3.39 -0.16 5.66 -1.26 -5.02 114.28 105.19 2iz4 n THR 69 Ca -0.10 -0.62 -0.17 0.00 -3.05 0.00 0.00 64.05 60.12 2iz4 n THR 69 Cb 0.27 1.06 0.03 0.00 -1.55 0.00 0.00 70.33 70.15 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 -3.23 0.06 0.31 0.00 -1.32 -1.09 -4.89 115.64 105.47 2iz4 s THR 71 Ca 0.26 -0.48 -0.22 0.00 -1.21 0.00 0.00 61.69 60.04 2iz4 s THR 71 Cb -0.07 -0.66 -0.09 0.00 -1.51 0.00 0.00 72.50 70.17 2iz4 s THR 71 CO 0.80 -0.27 0.85 -0.31 -2.21 0.00 0.00 174.62 173.48 2iz4 s TYR 72 N -1.46 3.58 0.05 9.09 2.02 -1.26 -1.76 117.35 127.61 2iz4 s TYR 72 Ca -0.13 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.14 2iz4 s TYR 72 Cb -0.05 -2.76 -0.03 0.00 -0.40 0.00 0.00 41.96 38.72 2iz4 s TYR 72 CO 0.04 0.19 -0.05 -0.08 -1.57 0.00 0.00 175.55 174.08 2iz4 s THR 73 N -1.72 0.36 -0.07 -0.71 -1.32 -0.89 -4.95 115.64 106.33 2iz4 s THR 73 Ca 0.50 -1.52 0.01 0.00 -1.21 0.00 0.00 61.69 59.46 2iz4 s THR 73 Cb -0.15 -1.13 0.02 0.00 -1.51 0.00 0.00 72.50 69.72 2iz4 s THR 73 CO 0.20 -0.76 -0.06 -0.69 -2.21 0.00 0.00 174.62 171.10 2iz4 s VAL 74 N -2.90 0.77 0.15 5.08 1.01 -1.26 -1.83 120.40 121.42 2iz4 s VAL 74 Ca 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.83 2iz4 s VAL 74 Cb 0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2iz4 s VAL 74 CO -0.05 0.30 -0.12 0.68 0.00 0.00 0.00 175.10 175.90 2iz4 s VAL 75 N 1.23 1.35 -0.15 2.92 -7.23 -1.15 -1.36 120.40 116.01 2iz4 s VAL 75 Ca -0.05 -1.97 -0.29 0.00 -1.81 0.00 0.00 61.98 57.86 2iz4 s VAL 75 Cb -0.14 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 2iz4 s VAL 75 CO -0.02 -0.60 1.54 -1.61 -0.31 0.00 0.00 175.10 174.11 2iz4 s GLU 76 N -3.33 4.04 0.53 4.82 2.02 -0.77 -2.02 118.70 123.99 2iz4 s GLU 76 Ca 0.15 1.86 0.32 0.00 0.02 0.00 0.00 54.97 57.32 2iz4 s GLU 76 Cb -0.01 -3.95 1.47 0.00 0.10 0.00 0.00 34.13 31.74 2iz4 s GLU 76 CO 0.03 -0.99 1.85 1.57 0.02 0.00 0.00 175.26 177.74 2iz4 h LYS 77 N 9.67 0.04 0.00 1.61 2.10 -1.84 2.38 116.57 130.53 2iz4 h LYS 77 Ca -0.34 -0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.20 2iz4 h LYS 77 Cb 1.15 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.46 2iz4 h LYS 77 CO 0.98 0.03 -0.52 0.87 -2.00 0.00 0.00 179.45 178.80 2iz4 h LYS 78 N 0.04 0.00 -3.04 0.07 1.57 -1.88 -3.40 116.57 109.92 2iz4 h LYS 78 Ca 0.49 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.70 2iz4 h LYS 78 Cb 1.90 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.81 2iz4 h LYS 78 CO -0.03 0.52 -0.78 0.34 -0.57 0.00 0.00 179.45 178.93 2iz4 s ASP 79 N -6.47 3.59 0.04 0.86 2.15 0.80 -4.98 116.67 112.66 2iz4 s ASP 79 Ca 0.03 -1.92 0.22 0.00 0.43 0.00 0.00 52.55 51.32 2iz4 s ASP 79 Cb 0.08 -0.69 0.93 0.00 -0.30 0.00 0.00 42.92 42.94 2iz4 s ASP 79 CO 0.74 -0.36 1.71 -0.81 -0.17 0.00 0.00 175.17 176.28 2iz4 n PRO 80 N 4.44 0.04 -0.15 4.34 -0.04 -0.95 -1.84 135.00 140.84 2iz4 n PRO 80 Ca 0.03 0.15 0.10 0.00 -0.04 0.00 0.00 63.50 63.75 2iz4 n PRO 80 Cb 0.39 -1.55 0.29 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.75 0.98 3.16 0.55 0.00 -1.26 -4.87 105.19 104.50 2iz4 n GLY 81 Ca 0.05 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 2iz4 n GLY 81 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2iz4 s LYS 82 N -1.61 0.81 0.59 1.61 2.20 -1.10 -5.09 119.74 117.16 2iz4 s LYS 82 Ca 0.34 -1.15 -0.04 0.00 -0.36 0.00 0.00 55.97 54.76 2iz4 s LYS 82 Cb 0.19 -0.45 0.02 0.00 -1.51 0.00 0.00 37.83 36.09 2iz4 s LYS 82 CO 0.27 0.06 0.87 0.95 -0.36 0.00 0.00 175.35 177.15 2iz4 s THR 83 N -2.57 3.19 0.00 3.43 -4.23 -1.26 -2.47 115.64 111.73 2iz4 s THR 83 Ca 0.05 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 2iz4 s THR 83 Cb -0.02 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.55 2iz4 s THR 83 CO -0.01 -0.25 0.00 0.00 -0.54 0.00 0.00 174.62 173.82 2iz4 s ASP 85 N -0.74 -0.47 -0.00 0.00 1.01 -1.26 -5.06 116.67 110.15 2iz4 s ASP 85 Ca 0.00 0.86 0.05 0.00 0.71 0.00 0.00 52.55 54.16 2iz4 s ASP 85 Cb 0.00 0.79 -0.01 0.00 1.01 0.00 0.00 42.92 44.71 2iz4 s ASP 85 CO 0.00 -0.17 -0.15 0.68 0.21 0.00 0.00 175.17 175.74 2iz4 s VAL 86 N 0.88 1.16 -1.89 -1.27 -7.23 -1.26 -2.57 120.40 108.22 2iz4 s VAL 86 Ca -0.05 -0.71 0.22 0.00 -1.81 0.00 0.00 61.98 59.63 2iz4 s VAL 86 Cb -0.06 -0.98 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 2iz4 s VAL 86 CO -0.07 0.27 1.05 1.07 -0.31 0.00 0.00 175.10 177.10 2iz4 n THR 87 N 2.55 0.00 0.00 5.32 5.66 -0.15 -4.98 114.28 122.68 2iz4 n THR 87 Ca -0.15 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 2iz4 n THR 87 Cb 0.55 1.23 0.00 0.00 -1.55 0.00 0.00 70.33 70.56 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 1.40 3.76 3.58 1.09 0.00 -1.26 -5.03 105.19 108.73 2iz4 n GLY 88 Ca 0.08 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 2iz4 n GLY 88 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2iz4 n TRP 89 N 0.00 -3.95 -3.82 1.61 8.01 -1.26 -3.66 117.44 114.37 2iz4 n TRP 89 Ca 0.00 -1.07 -0.11 0.00 -1.31 0.00 0.00 57.50 55.01 2iz4 n TRP 89 Cb 0.00 -1.02 -0.08 0.00 -2.01 0.00 0.00 31.31 28.20 2iz4 n TRP 89 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.69 176.82 2iz4 s VAL 90 N -3.49 0.10 0.00 -0.99 -7.23 -0.64 -4.92 120.40 103.22 2iz4 s VAL 90 Ca 0.71 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 60.07 2iz4 s VAL 90 Cb -0.03 -0.88 0.00 0.00 0.56 0.00 0.00 36.38 36.03 2iz4 s VAL 90 CO 0.51 -0.44 0.00 -0.11 -0.31 0.00 0.00 175.10 174.75