#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 -3.37 -0.73 0.38 0.00 -0.85 -0.34 -5.00 117.35 107.45 2iz4 s TYR 3 Ca 0.64 1.50 -0.17 0.00 -0.52 0.00 0.00 57.07 58.52 2iz4 s TYR 3 Cb -0.08 0.36 -0.09 0.00 0.38 0.00 0.00 41.96 42.52 2iz4 s TYR 3 CO 0.46 -0.40 0.84 -0.06 -1.52 0.00 0.00 175.55 174.87 2iz4 s PHE 4 N 1.54 3.36 -0.06 -3.49 0.08 -1.26 -2.74 117.98 115.40 2iz4 s PHE 4 Ca -0.09 1.36 0.03 0.00 0.12 0.00 0.00 56.93 58.36 2iz4 s PHE 4 Cb -0.08 -2.66 0.00 0.00 -0.57 0.00 0.00 43.02 39.71 2iz4 s PHE 4 CO -0.14 -0.03 -0.16 0.42 -0.10 0.00 0.00 175.22 175.20 2iz4 s ILE 5 N -2.14 1.41 -0.52 0.64 1.01 -0.64 -4.97 121.20 115.99 2iz4 s ILE 5 Ca 0.57 -0.67 -0.28 0.00 0.00 0.00 0.00 60.65 60.27 2iz4 s ILE 5 Cb -0.10 -1.23 0.02 0.00 0.01 0.00 0.00 42.46 41.16 2iz4 s ILE 5 CO 0.18 0.41 1.34 -2.16 0.00 0.00 0.00 174.94 174.71 2iz4 s PRO 6 N 0.30 3.46 -0.17 2.79 0.04 -1.26 -0.82 135.00 139.34 2iz4 s PRO 6 Ca -0.10 0.54 -0.42 0.00 0.04 0.00 0.00 61.00 61.06 2iz4 s PRO 6 Cb -0.14 -4.05 -0.19 0.00 0.04 0.00 0.00 34.50 30.15 2iz4 s PRO 6 CO 0.04 -1.74 1.30 -1.71 0.04 0.00 0.00 177.00 174.93 2iz4 n ASN 7 N 8.97 0.65 -1.05 6.66 2.85 -0.30 -4.83 115.26 128.21 2iz4 n ASN 7 Ca 0.13 1.16 0.11 0.00 -0.11 0.00 0.00 54.58 55.87 2iz4 n ASN 7 Cb 0.49 -0.94 0.26 0.00 1.24 0.00 0.00 39.78 40.83 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 2.59 2.35 -3.93 1.20 3.00 -1.17 -4.86 117.38 116.56 2iz4 n GLN 8 Ca 0.24 -2.07 -0.21 0.00 -0.01 0.00 0.00 57.00 54.95 2iz4 n GLN 8 Cb 0.05 -1.48 -0.02 0.00 0.00 0.00 0.00 30.24 28.79 2iz4 n GLN 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2iz4 s SER 9 N -1.33 6.29 -0.13 1.08 0.15 -1.26 -4.86 113.70 113.64 2iz4 s SER 9 Ca 0.39 0.05 0.15 0.00 0.70 0.00 0.00 55.95 57.24 2iz4 s SER 9 Cb 0.21 -1.81 0.53 0.00 -1.71 0.00 0.00 66.02 63.25 2iz4 s SER 9 CO 0.30 -0.10 1.45 -0.11 1.20 0.00 0.00 173.24 175.97 2iz4 n LEU 10 N -1.43 3.97 -4.70 3.45 0.00 -1.26 -4.89 117.00 112.14 2iz4 n LEU 10 Ca -0.08 -2.64 -0.36 0.00 0.00 0.00 0.00 56.01 52.93 2iz4 n LEU 10 Cb 0.57 -0.48 -0.08 0.00 0.00 0.00 0.00 43.42 43.43 2iz4 n LEU 10 CO 0.45 0.71 -0.12 -0.54 0.00 0.00 0.00 177.39 177.89 2iz4 s LYS 11 N -2.16 4.17 0.00 1.96 3.01 -1.25 -4.97 119.74 120.50 2iz4 s LYS 11 Ca 0.40 -0.12 0.24 0.00 -1.01 0.00 0.00 55.97 55.48 2iz4 s LYS 11 Cb 0.29 -3.46 1.15 0.00 -1.01 0.00 0.00 37.83 34.80 2iz4 s LYS 11 CO 0.14 0.19 1.80 -0.35 0.51 0.00 0.00 175.35 177.64 2iz4 n PRO 12 N 3.83 0.20 0.00 -1.68 -0.04 -1.26 -2.95 135.00 133.10 2iz4 n PRO 12 Ca -0.14 0.07 0.01 0.00 -0.04 0.00 0.00 63.50 63.40 2iz4 n PRO 12 Cb 0.52 -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 0.09 -0.04 0.00 0.00 175.50 175.55 2iz4 n ASN 13 N -1.38 1.02 -3.81 3.54 3.02 -1.26 -4.81 115.26 111.59 2iz4 n ASN 13 Ca 0.09 -1.01 -0.12 0.00 -0.03 0.00 0.00 54.58 53.50 2iz4 n ASN 13 Cb 0.23 0.15 -0.12 0.00 -0.61 0.00 0.00 39.78 39.43 2iz4 n ASN 13 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2iz4 s GLU 14 N -0.34 0.20 0.09 3.52 2.02 -1.15 -0.08 118.70 122.96 2iz4 s GLU 14 Ca 0.02 0.24 0.05 0.00 0.02 0.00 0.00 54.97 55.30 2iz4 s GLU 14 Cb 0.02 0.10 -0.04 0.00 0.10 0.00 0.00 34.13 34.31 2iz4 s GLU 14 CO 0.04 -0.02 -0.02 0.00 0.02 0.00 0.00 175.26 175.27 2iz4 s GLN 16 N -2.26 2.59 0.27 0.00 0.74 -1.26 -2.48 119.66 117.25 2iz4 s GLN 16 Ca 0.25 -0.81 0.02 0.00 0.05 0.00 0.00 55.36 54.87 2iz4 s GLN 16 Cb -0.12 -2.28 0.05 0.00 1.10 0.00 0.00 33.01 31.76 2iz4 s GLN 16 CO 0.17 0.46 0.37 -3.47 -0.55 0.00 0.00 175.29 172.28 2iz4 n ASP 17 N 2.75 0.74 0.23 6.67 2.03 -0.39 -3.06 116.55 125.51 2iz4 n ASP 17 Ca -0.17 -1.57 0.10 0.00 0.52 0.00 0.00 54.79 53.67 2iz4 n ASP 17 Cb 0.52 -0.22 0.53 0.00 -0.72 0.00 0.00 41.12 41.23 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 -0.04 -2.67 -0.00 -1.98 -2.09 115.31 108.53 2iz4 h LEU 18 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2iz4 h LEU 18 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 2iz4 h LEU 18 CO 0.16 0.22 0.00 1.17 -0.00 0.00 0.00 178.44 179.98 2iz4 n LYS 19 N -3.52 1.03 -0.91 1.13 4.81 -1.26 -4.84 118.16 114.59 2iz4 n LYS 19 Ca -0.01 -0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 2iz4 n LYS 19 Cb 0.37 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.23 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 0.70 0.41 3.83 3.14 0.00 -0.78 -4.99 105.19 107.50 2iz4 n GLY 20 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.07 4.73 0.13 1.61 0.11 -1.26 -4.80 120.40 118.85 2iz4 s VAL 21 Ca 0.00 1.04 0.11 0.00 -2.93 0.00 0.00 61.98 60.20 2iz4 s VAL 21 Cb 0.00 -3.79 -0.04 0.00 -1.53 0.00 0.00 36.38 31.01 2iz4 s VAL 21 CO 0.00 0.24 -0.25 -0.44 -3.33 0.00 0.00 175.10 171.33 2iz4 s SER 22 N -1.66 3.46 0.04 3.54 0.01 -1.26 -1.26 113.70 116.56 2iz4 s SER 22 Ca 0.39 -0.72 0.03 0.00 1.31 0.00 0.00 55.95 56.96 2iz4 s SER 22 Cb -0.16 -0.30 -0.02 0.00 0.21 0.00 0.00 66.02 65.75 2iz4 s SER 22 CO 0.20 0.17 -0.09 -1.00 0.41 0.00 0.00 173.24 172.93 2iz4 s HIS 23 N -1.14 0.75 0.61 2.43 3.76 -1.04 -4.99 115.29 115.68 2iz4 s HIS 23 Ca 0.16 -0.40 -0.19 0.00 -0.15 0.00 0.00 55.06 54.47 2iz4 s HIS 23 Cb -0.10 -0.45 -0.03 0.00 1.11 0.00 0.00 32.58 33.12 2iz4 s HIS 23 CO 0.07 -0.04 1.29 -1.25 -0.85 0.00 0.00 174.74 173.96 2iz4 s PRO 24 N -1.28 2.78 1.08 8.40 0.04 -1.26 -3.04 135.00 141.72 2iz4 s PRO 24 Ca -0.06 2.06 -0.17 0.00 0.04 0.00 0.00 61.00 62.87 2iz4 s PRO 24 Cb -0.08 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.58 2iz4 s PRO 24 CO 0.01 -1.42 0.08 -0.11 0.04 0.00 0.00 177.00 175.60 2iz4 n LEU 25 N -1.62 -1.82 0.00 -3.56 7.94 0.89 -1.93 117.00 116.90 2iz4 n LEU 25 Ca 0.14 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 2iz4 n LEU 25 Cb 0.48 -1.01 0.00 0.00 0.53 0.00 0.00 43.42 43.41 2iz4 n LEU 25 CO 0.48 -3.24 0.00 -0.46 -1.11 0.00 0.00 177.39 173.05 2iz4 n ASN 26 N -1.50 -0.45 -4.77 1.96 6.94 -1.08 -4.84 115.26 111.53 2iz4 n ASN 26 Ca 0.02 0.00 -0.39 0.00 -0.02 0.00 0.00 54.58 54.19 2iz4 n ASN 26 Cb 0.60 -0.74 -0.06 0.00 -2.36 0.00 0.00 39.78 37.23 2iz4 n ASN 26 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2iz4 s SER 27 N -0.42 7.25 -0.33 0.53 0.01 -0.81 -4.90 113.70 115.03 2iz4 s SER 27 Ca 0.00 1.49 0.01 0.00 1.31 0.00 0.00 55.95 58.76 2iz4 s SER 27 Cb 0.00 -2.46 0.08 0.00 0.21 0.00 0.00 66.02 63.85 2iz4 s SER 27 CO 0.00 0.13 0.03 0.54 0.41 0.00 0.00 173.24 174.35 2iz4 s VAL 28 N -0.64 2.58 0.39 3.43 0.11 -1.26 -3.12 120.40 121.89 2iz4 s VAL 28 Ca 0.36 -1.94 0.08 0.00 -2.93 0.00 0.00 61.98 57.55 2iz4 s VAL 28 Cb -0.21 -2.71 -0.02 0.00 -1.53 0.00 0.00 36.38 31.92 2iz4 s VAL 28 CO 0.23 -0.39 0.40 -1.66 -3.33 0.00 0.00 175.10 170.36 2iz4 s TRP 29 N 1.06 2.81 -0.10 1.54 -2.14 -1.07 -4.91 118.94 116.12 2iz4 s TRP 29 Ca 0.03 -0.41 0.04 0.00 2.66 0.00 0.00 56.10 58.41 2iz4 s TRP 29 Cb -0.20 -2.11 -0.00 0.00 -3.10 0.00 0.00 33.47 28.05 2iz4 s TRP 29 CO -0.05 -0.10 -0.22 0.15 -2.66 0.00 0.00 176.95 174.07 2iz4 s LYS 30 N -4.14 3.02 0.52 3.25 1.02 -1.26 -2.24 119.74 119.90 2iz4 s LYS 30 Ca 0.48 -0.85 0.01 0.00 0.02 0.00 0.00 55.97 55.63 2iz4 s LYS 30 Cb -0.06 -2.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.94 2iz4 s LYS 30 CO 0.29 0.23 0.74 0.95 -0.92 0.00 0.00 175.35 176.63 2iz4 s THR 31 N 0.24 3.05 -1.00 2.17 -4.23 -1.18 -4.95 115.64 109.74 2iz4 s THR 31 Ca -0.14 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 2iz4 s THR 31 Cb -0.17 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.54 2iz4 s THR 31 CO 0.07 -0.09 0.41 0.29 -0.54 0.00 0.00 174.62 174.76 2iz4 n LYS 32 N -2.25 0.81 -1.08 3.99 5.02 -1.26 -3.16 118.16 120.23 2iz4 n LYS 32 Ca 0.06 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.32 2iz4 n LYS 32 Cb 0.59 -1.40 0.15 0.00 -0.02 0.00 0.00 35.03 34.34 2iz4 n LYS 32 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2iz4 n ASP 33 N 0.10 2.66 -3.69 4.39 2.03 -1.26 -4.87 116.55 115.91 2iz4 n ASP 33 Ca 0.00 -3.78 -0.30 0.00 0.52 0.00 0.00 54.79 51.23 2iz4 n ASP 33 Cb 0.20 -0.47 0.01 0.00 -0.72 0.00 0.00 41.12 40.15 2iz4 n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2iz4 s GLU 35 N -4.09 1.15 -0.06 0.00 -1.05 -1.26 -2.73 118.70 110.65 2iz4 s GLU 35 Ca 0.13 -0.53 0.06 0.00 -0.15 0.00 0.00 54.97 54.47 2iz4 s GLU 35 Cb -0.01 0.46 -0.01 0.00 -0.44 0.00 0.00 34.13 34.12 2iz4 s GLU 35 CO 0.88 -0.51 -0.24 -1.21 0.95 0.00 0.00 175.26 175.12 2iz4 s GLU 36 N -3.39 2.56 -0.06 -4.83 0.41 0.35 -3.08 118.70 110.66 2iz4 s GLU 36 Ca 0.07 -0.88 0.03 0.00 -0.41 0.00 0.00 54.97 53.79 2iz4 s GLU 36 Cb -0.02 -2.13 0.00 0.00 -1.78 0.00 0.00 34.13 30.21 2iz4 s GLU 36 CO -0.04 0.34 -0.15 0.00 -0.49 0.00 0.00 175.26 174.92 2iz4 s THR 38 N 0.35 2.89 -0.14 0.00 -4.23 -0.35 -2.61 115.64 111.56 2iz4 s THR 38 Ca -0.10 -0.73 -0.29 0.00 -1.18 0.00 0.00 61.69 59.40 2iz4 s THR 38 Cb -0.14 -2.19 -0.01 0.00 1.34 0.00 0.00 72.50 71.51 2iz4 s THR 38 CO 0.03 0.54 0.97 0.00 -0.54 0.00 0.00 174.62 175.62 2iz4 n GLY 40 N 3.20 1.73 0.22 0.00 0.00 -0.44 -2.63 105.19 107.27 2iz4 n GLY 40 Ca 0.08 -1.38 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 0.48 -0.04 1.61 3.00 -1.26 -4.68 117.38 116.49 2iz4 n GLN 41 Ca 0.00 0.20 0.01 0.00 -0.01 0.00 0.00 57.00 57.20 2iz4 n GLN 41 Cb 0.00 -1.33 0.03 0.00 0.00 0.00 0.00 30.24 28.94 2iz4 n GLN 41 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2iz4 n ASP 42 N -4.27 2.19 -3.51 1.08 5.68 -1.26 -4.80 116.55 111.66 2iz4 n ASP 42 Ca -0.24 -2.01 -0.16 0.00 -0.50 0.00 0.00 54.79 51.88 2iz4 n ASP 42 Cb 0.58 -0.05 -0.05 0.00 -1.14 0.00 0.00 41.12 40.46 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 -1.02 -1.76 -0.11 2.12 0.00 -1.26 -1.15 121.76 118.57 2iz4 s ALA 43 Ca 0.05 1.21 -0.01 0.00 0.00 0.00 0.00 51.96 53.21 2iz4 s ALA 43 Cb 0.03 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2iz4 s ALA 43 CO 0.03 -0.43 -0.09 0.42 0.00 0.00 0.00 175.76 175.69 2iz4 s ILE 44 N -1.63 3.48 -0.47 0.00 1.01 -0.00 -1.32 121.20 122.26 2iz4 s ILE 44 Ca -0.08 -0.53 -0.19 0.00 0.00 0.00 0.00 60.65 59.86 2iz4 s ILE 44 Cb -0.00 -2.46 0.05 0.00 0.01 0.00 0.00 42.46 40.05 2iz4 s ILE 44 CO 0.05 0.54 0.56 -0.94 0.00 0.00 0.00 174.94 175.15 2iz4 s SER 45 N -0.04 6.22 0.05 3.58 1.04 -0.18 -1.62 113.70 122.76 2iz4 s SER 45 Ca -0.01 -0.81 0.04 0.00 0.48 0.00 0.00 55.95 55.65 2iz4 s SER 45 Cb -0.14 -2.27 -0.04 0.00 0.10 0.00 0.00 66.02 63.68 2iz4 s SER 45 CO 0.03 -0.78 -0.02 0.00 0.98 0.00 0.00 173.24 173.45 2iz4 s ASN 48 N -2.13 6.95 -0.24 0.00 4.22 -1.26 -0.50 114.94 121.98 2iz4 s ASN 48 Ca -0.04 2.40 0.10 0.00 -2.14 0.00 0.00 52.86 53.19 2iz4 s ASN 48 Cb -0.00 -2.62 0.44 0.00 1.28 0.00 0.00 41.25 40.35 2iz4 s ASN 48 CO -0.04 -0.46 1.20 0.35 -2.04 0.00 0.00 177.10 176.11 2iz4 n THR 49 N 2.16 2.21 -4.05 0.54 -2.24 -1.11 -4.81 114.28 106.97 2iz4 n THR 49 Ca 0.04 -3.59 -0.35 0.00 -2.27 0.00 0.00 64.05 57.88 2iz4 n THR 49 Cb 0.43 -0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 67.99 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 -3.29 2.77 0.20 6.98 0.00 -1.26 -4.84 121.76 122.32 2iz4 s ALA 50 Ca 0.43 -1.12 -0.32 0.00 0.00 0.00 0.00 51.96 50.96 2iz4 s ALA 50 Cb 0.39 -1.61 -0.15 0.00 0.00 0.00 0.00 23.12 21.76 2iz4 s ALA 50 CO -0.02 -0.30 1.29 0.00 0.00 0.00 0.00 175.76 176.72 2iz4 n ALA 51 N 4.56 0.12 -3.19 0.00 0.00 -1.26 -4.91 120.51 115.83 2iz4 n ALA 51 Ca -0.18 0.44 -0.46 0.00 0.00 0.00 0.00 53.44 53.24 2iz4 n ALA 51 Cb 0.51 -2.15 -0.04 0.00 0.00 0.00 0.00 19.45 17.78 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 -0.07 5.12 0.96 0.00 1.01 0.03 -4.42 121.20 123.82 2iz4 s ILE 52 Ca 0.71 -1.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 2iz4 s ILE 52 Cb -0.76 -4.49 0.17 0.00 0.01 0.00 0.00 42.46 37.39 2iz4 s ILE 52 CO 0.50 -1.10 1.11 -2.16 0.00 0.00 0.00 174.94 173.30 2iz4 s PRO 53 N 1.74 0.69 0.36 2.79 0.04 -1.26 -0.90 135.00 138.45 2iz4 s PRO 53 Ca 0.14 1.32 -0.08 0.00 0.04 0.00 0.00 61.00 62.43 2iz4 s PRO 53 Cb -0.19 -1.71 0.02 0.00 0.04 0.00 0.00 34.50 32.67 2iz4 s PRO 53 CO -0.01 -2.78 0.60 -0.08 0.04 0.00 0.00 177.00 174.77 2iz4 s THR 54 N -2.64 0.00 0.00 1.26 -1.32 -0.59 -4.85 115.64 107.50 2iz4 s THR 54 Ca 0.66 -1.36 0.00 0.00 -1.21 0.00 0.00 61.69 59.78 2iz4 s THR 54 Cb -0.23 -2.73 0.00 0.00 -1.51 0.00 0.00 72.50 68.03 2iz4 s THR 54 CO 0.59 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.61 2iz4 n GLY 55 N -0.55 1.29 3.90 6.08 0.00 -1.26 -1.91 105.19 112.73 2iz4 n GLY 55 Ca -0.03 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 -3.55 1.87 -0.86 1.61 -0.85 -1.13 -4.67 117.35 109.77 2iz4 s TYR 56 Ca 0.00 0.45 -0.25 0.00 -0.52 0.00 0.00 57.07 56.75 2iz4 s TYR 56 Cb 0.00 -3.91 0.04 0.00 0.38 0.00 0.00 41.96 38.46 2iz4 s TYR 56 CO 0.00 -2.52 1.38 -0.51 -1.52 0.00 0.00 175.55 172.38 2iz4 s ASP 57 N -4.73 6.26 0.55 -0.18 1.01 -1.26 -4.84 116.67 113.48 2iz4 s ASP 57 Ca 0.71 -0.86 0.23 0.00 0.71 0.00 0.00 52.55 53.33 2iz4 s ASP 57 Cb -0.06 -2.56 1.47 0.00 1.01 0.00 0.00 42.92 42.77 2iz4 s ASP 57 CO 0.52 -1.73 2.13 0.71 0.21 0.00 0.00 175.17 177.01 2iz4 h THR 58 N 6.40 0.76 0.00 -1.27 1.35 -1.93 2.85 112.91 121.08 2iz4 h THR 58 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2iz4 h THR 58 Cb 1.03 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2iz4 h THR 58 CO 1.34 0.00 -1.22 0.59 -0.25 0.00 0.00 175.52 175.98 2iz4 n ASN 59 N -4.24 0.56 -0.12 5.36 3.02 -1.26 -4.27 115.26 114.31 2iz4 n ASN 59 Ca 0.00 -0.23 0.05 0.00 -0.03 0.00 0.00 54.58 54.37 2iz4 n ASN 59 Cb 0.23 1.04 0.06 0.00 -0.61 0.00 0.00 39.78 40.50 2iz4 n ASN 59 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2iz4 n LYS 60 N -2.01 1.39 -3.60 3.52 0.00 -0.28 -4.96 118.16 112.23 2iz4 n LYS 60 Ca 0.01 -1.81 -0.10 0.00 0.00 0.00 0.00 58.31 56.41 2iz4 n LYS 60 Cb 0.46 -1.09 -0.02 0.00 0.00 0.00 0.00 35.03 34.37 2iz4 n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2iz4 s GLN 62 N -3.82 0.47 -0.25 0.00 -2.07 -0.78 -4.41 119.66 108.80 2iz4 s GLN 62 Ca 0.05 0.45 -0.27 0.00 -1.82 0.00 0.00 55.36 53.77 2iz4 s GLN 62 Cb -0.02 0.23 0.00 0.00 -1.09 0.00 0.00 33.01 32.13 2iz4 s GLN 62 CO -0.06 -0.07 0.93 -1.59 -1.32 0.00 0.00 175.29 173.18 2iz4 s LYS 63 N 0.02 4.18 -0.30 9.60 0.00 -1.26 -2.78 119.74 129.20 2iz4 s LYS 63 Ca -0.02 1.08 -0.00 0.00 0.00 0.00 0.00 55.97 57.03 2iz4 s LYS 63 Cb -0.03 -3.66 0.06 0.00 0.00 0.00 0.00 37.83 34.21 2iz4 s LYS 63 CO 0.01 -0.61 -0.00 0.42 0.00 0.00 0.00 175.35 175.17 2iz4 s ILE 64 N 3.06 2.78 0.44 3.79 1.01 -0.56 -4.97 121.20 126.74 2iz4 s ILE 64 Ca 0.39 -1.58 -0.25 0.00 0.00 0.00 0.00 60.65 59.21 2iz4 s ILE 64 Cb -0.15 -2.67 -0.08 0.00 0.01 0.00 0.00 42.46 39.57 2iz4 s ILE 64 CO 0.08 -0.18 1.37 -0.22 0.00 0.00 0.00 174.94 175.99 2iz4 s LEU 65 N 1.18 4.14 -0.19 2.97 1.98 -1.26 -3.16 118.68 124.34 2iz4 s LEU 65 Ca -0.04 2.80 -0.01 0.00 -2.89 0.00 0.00 54.13 53.99 2iz4 s LEU 65 Cb -0.20 -3.94 0.00 0.00 0.66 0.00 0.00 46.19 42.71 2iz4 s LEU 65 CO -0.03 -1.06 -0.12 0.21 -1.89 0.00 0.00 176.35 173.46 2iz4 s ASN 66 N -0.63 3.82 0.00 3.68 3.04 -0.16 -4.96 114.94 119.74 2iz4 s ASN 66 Ca 0.60 -0.47 0.27 0.00 0.04 0.00 0.00 52.86 53.30 2iz4 s ASN 66 Cb -0.41 -1.62 0.88 0.00 -1.54 0.00 0.00 41.25 38.56 2iz4 s ASN 66 CO 0.53 0.03 1.66 0.29 -3.04 0.00 0.00 177.10 176.56 2iz4 n LYS 67 N 4.47 0.28 0.34 0.43 4.01 -1.26 -1.60 118.16 124.83 2iz4 n LYS 67 Ca -0.19 -0.12 -0.17 0.00 -0.51 0.00 0.00 58.31 57.31 2iz4 n LYS 67 Cb 0.51 -1.50 -0.09 0.00 -0.51 0.00 0.00 35.03 33.44 2iz4 n LYS 67 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 2iz4 h LYS 68 N 0.29 -0.81 0.00 1.97 3.64 -1.93 -3.33 116.57 116.40 2iz4 h LYS 68 Ca 0.00 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2iz4 h LYS 68 Cb 0.47 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2iz4 h LYS 68 CO 0.00 -0.54 -0.02 -2.37 -2.27 0.00 0.00 179.45 174.25 2iz4 n THR 69 N -5.46 1.13 -3.16 1.00 5.66 -1.26 -5.03 114.28 107.17 2iz4 n THR 69 Ca -0.13 -1.25 -0.04 0.00 -3.05 0.00 0.00 64.05 59.59 2iz4 n THR 69 Cb 0.35 0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 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 -3.01 0.03 0.17 0.00 -1.32 -0.86 -4.88 115.64 105.77 2iz4 s THR 71 Ca 0.01 -0.26 -0.12 0.00 -1.21 0.00 0.00 61.69 60.12 2iz4 s THR 71 Cb -0.00 -0.89 -0.07 0.00 -1.51 0.00 0.00 72.50 70.03 2iz4 s THR 71 CO 0.77 -0.14 0.53 -0.31 -2.21 0.00 0.00 174.62 173.26 2iz4 s TYR 72 N -1.80 3.53 0.13 9.09 2.02 -1.26 -0.99 117.35 128.07 2iz4 s TYR 72 Ca -0.09 0.95 0.02 0.00 -0.37 0.00 0.00 57.07 57.58 2iz4 s TYR 72 Cb -0.02 -2.30 -0.04 0.00 -0.40 0.00 0.00 41.96 39.20 2iz4 s TYR 72 CO 0.03 0.37 -0.04 -0.08 -1.57 0.00 0.00 175.55 174.26 2iz4 s THR 73 N -1.60 0.71 -0.12 -0.71 -1.32 -1.19 -4.96 115.64 106.45 2iz4 s THR 73 Ca 0.41 -1.96 -0.01 0.00 -1.21 0.00 0.00 61.69 58.92 2iz4 s THR 73 Cb -0.13 -1.84 0.04 0.00 -1.51 0.00 0.00 72.50 69.05 2iz4 s THR 73 CO 0.20 -0.73 -0.01 -0.69 -2.21 0.00 0.00 174.62 171.18 2iz4 s VAL 74 N -3.62 0.63 0.18 5.08 1.01 -1.26 -1.50 120.40 120.92 2iz4 s VAL 74 Ca 0.16 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.00 2iz4 s VAL 74 Cb 0.05 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2iz4 s VAL 74 CO -0.01 0.14 -0.16 0.68 0.00 0.00 0.00 175.10 175.75 2iz4 s VAL 75 N 1.85 1.69 0.24 2.92 -7.23 -1.12 0.24 120.40 118.99 2iz4 s VAL 75 Ca 0.03 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 57.86 2iz4 s VAL 75 Cb -0.14 -1.90 -0.10 0.00 0.56 0.00 0.00 36.38 34.80 2iz4 s VAL 75 CO -0.07 -0.48 1.48 -1.61 -0.31 0.00 0.00 175.10 174.11 2iz4 s GLU 76 N -3.22 4.24 0.30 4.82 2.02 -0.32 -1.87 118.70 124.67 2iz4 s GLU 76 Ca 0.18 2.34 0.01 0.00 0.02 0.00 0.00 54.97 57.52 2iz4 s GLU 76 Cb -0.03 -3.11 0.53 0.00 0.10 0.00 0.00 34.13 31.62 2iz4 s GLU 76 CO 0.06 -0.47 1.91 0.87 0.02 0.00 0.00 175.26 177.65 2iz4 h LYS 77 N 5.29 1.00 0.00 1.61 1.57 -1.83 0.82 116.57 125.04 2iz4 h LYS 77 Ca -0.46 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.17 2iz4 h LYS 77 Cb 1.22 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 2iz4 h LYS 77 CO 0.80 0.66 -0.43 0.87 -0.57 0.00 0.00 179.45 180.78 2iz4 h LYS 78 N 1.03 0.00 -3.42 3.15 1.79 -1.90 -3.40 116.57 113.82 2iz4 h LYS 78 Ca 0.39 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 58.26 2iz4 h LYS 78 Cb 0.19 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.44 2iz4 h LYS 78 CO -0.14 0.43 -0.75 0.34 -1.08 0.00 0.00 179.45 178.25 2iz4 s ASP 79 N -6.41 3.93 0.00 0.86 2.15 0.25 -4.97 116.67 112.48 2iz4 s ASP 79 Ca 0.03 -2.04 0.24 0.00 0.43 0.00 0.00 52.55 51.21 2iz4 s ASP 79 Cb 0.08 -0.97 1.03 0.00 -0.30 0.00 0.00 42.92 42.76 2iz4 s ASP 79 CO 0.72 -0.36 1.76 -0.81 -0.17 0.00 0.00 175.17 176.31 2iz4 n PRO 80 N 4.32 0.05 0.10 4.34 -0.04 -0.97 -1.18 135.00 141.63 2iz4 n PRO 80 Ca 0.03 0.09 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 2iz4 n PRO 80 Cb 0.39 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 2iz4 n PRO 80 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2iz4 h GLY 81 N 4.03 0.48 -2.12 0.55 0.00 -1.93 -3.46 103.07 100.62 2iz4 h GLY 81 Ca 0.00 -1.22 -0.49 0.00 0.00 0.00 0.00 47.33 45.62 2iz4 h GLY 81 CO 0.00 1.07 0.10 0.54 0.00 0.00 0.00 176.54 178.25 2iz4 s LYS 82 N -2.60 3.58 0.43 4.80 1.02 -1.20 -5.02 119.74 120.75 2iz4 s LYS 82 Ca -0.11 0.23 0.03 0.00 0.02 0.00 0.00 55.97 56.14 2iz4 s LYS 82 Cb 0.05 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 2iz4 s LYS 82 CO 0.89 -0.17 0.61 0.95 -0.92 0.00 0.00 175.35 176.71 2iz4 s THR 83 N -2.67 3.68 0.36 2.17 -4.23 -1.26 -2.83 115.64 110.85 2iz4 s THR 83 Ca 0.48 -0.74 0.08 0.00 -1.18 0.00 0.00 61.69 60.33 2iz4 s THR 83 Cb -0.10 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.38 2iz4 s THR 83 CO 0.43 -0.18 0.18 0.00 -0.54 0.00 0.00 174.62 174.51 2iz4 s ASP 85 N -3.89 7.31 0.01 0.00 1.01 -1.26 -4.92 116.67 114.92 2iz4 s ASP 85 Ca 0.39 2.03 -0.02 0.00 0.71 0.00 0.00 52.55 55.66 2iz4 s ASP 85 Cb -0.02 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 2iz4 s ASP 85 CO 0.23 -0.10 0.03 0.68 0.21 0.00 0.00 175.17 176.23 2iz4 s VAL 86 N -1.37 0.08 -0.93 -1.27 -7.23 -1.26 -2.83 120.40 105.60 2iz4 s VAL 86 Ca 0.47 -0.63 0.13 0.00 -1.81 0.00 0.00 61.98 60.14 2iz4 s VAL 86 Cb -0.25 -0.26 -0.07 0.00 0.56 0.00 0.00 36.38 36.36 2iz4 s VAL 86 CO 0.32 -0.35 0.65 0.35 -0.31 0.00 0.00 175.10 175.76 2iz4 n THR 87 N 1.92 0.00 -3.87 5.32 -2.24 -0.80 -5.00 114.28 109.61 2iz4 n THR 87 Ca -0.21 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2iz4 n THR 87 Cb 0.56 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 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 1.16 -1.10 3.41 3.38 0.00 -1.26 -5.03 105.19 105.75 2iz4 n GLY 88 Ca 0.04 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 0.81 -0.02 1.61 0.51 -1.26 -1.54 118.94 116.06 2iz4 s TRP 89 Ca 0.00 -1.09 0.02 0.00 -2.12 0.00 0.00 56.10 52.92 2iz4 s TRP 89 Cb 0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 33.47 32.48 2iz4 s TRP 89 CO 0.00 -0.86 -0.09 0.08 -0.51 0.00 0.00 176.95 175.58 2iz4 s VAL 90 N -3.96 0.73 0.00 4.03 1.01 -0.08 -4.86 120.40 117.26 2iz4 s VAL 90 Ca 0.31 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2iz4 s VAL 90 Cb 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.77 2iz4 s VAL 90 CO 0.12 0.22 0.00 -0.11 0.00 0.00 0.00 175.10 175.33