#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 -0.29 0.03 0.23 0.00 -0.85 -1.14 -5.00 117.35 110.33 2iz3 s TYR 3 Ca 0.00 -0.06 -0.29 0.00 -0.52 0.00 0.00 57.07 56.20 2iz3 s TYR 3 Cb 0.00 -0.03 -0.09 0.00 0.38 0.00 0.00 41.96 42.22 2iz3 s TYR 3 CO 0.00 -0.04 0.91 -0.06 -1.52 0.00 0.00 175.55 174.84 2iz3 s PHE 4 N -0.25 3.96 -0.27 -3.49 0.08 -1.26 -3.37 117.98 113.37 2iz3 s PHE 4 Ca -0.03 1.86 -0.01 0.00 0.12 0.00 0.00 56.93 58.87 2iz3 s PHE 4 Cb -0.02 -2.93 0.04 0.00 -0.57 0.00 0.00 43.02 39.54 2iz3 s PHE 4 CO -0.00 0.46 -0.05 0.42 -0.10 0.00 0.00 175.22 175.95 2iz3 s ILE 5 N -1.20 2.78 -0.09 0.64 1.01 0.58 -5.01 121.20 119.91 2iz3 s ILE 5 Ca 0.40 -1.28 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 2iz3 s ILE 5 Cb -0.25 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 2iz3 s ILE 5 CO 0.30 0.04 1.18 -2.16 0.00 0.00 0.00 174.94 174.30 2iz3 s PRO 6 N 1.25 4.34 0.54 2.79 0.04 -1.25 -1.43 135.00 141.28 2iz3 s PRO 6 Ca -0.04 1.62 0.30 0.00 0.04 0.00 0.00 61.00 62.93 2iz3 s PRO 6 Cb -0.18 -3.60 1.03 0.00 0.04 0.00 0.00 34.50 31.79 2iz3 s PRO 6 CO -0.03 -0.48 1.25 -1.71 0.04 0.00 0.00 177.00 176.06 2iz3 n ASN 7 N 5.47 0.00 -0.13 6.66 2.85 -1.26 0.27 115.26 129.13 2iz3 n ASN 7 Ca 0.11 0.75 0.16 0.00 -0.11 0.00 0.00 54.58 55.50 2iz3 n ASN 7 Cb 0.46 -0.29 0.54 0.00 1.24 0.00 0.00 39.78 41.73 2iz3 n ASN 7 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2iz3 h GLU 8 N 0.00 0.32 -3.30 1.20 4.39 -1.88 -3.44 114.58 111.87 2iz3 h GLU 8 Ca 0.56 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.22 2iz3 h GLU 8 Cb 2.90 -0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 31.37 2iz3 h GLU 8 CO -0.01 0.21 0.04 0.20 -1.16 0.00 0.00 179.01 178.29 2iz3 s GLY 9 N -3.84 -0.09 0.03 -3.84 0.00 0.78 -5.11 107.32 95.25 2iz3 s GLY 9 Ca -0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.42 2iz3 s GLY 9 CO 0.76 -0.25 -0.03 -1.34 0.00 0.00 0.00 173.10 172.24 2iz3 s VAL 10 N -3.87 0.16 -0.01 1.40 -7.23 -1.26 -3.88 120.40 105.70 2iz3 s VAL 10 Ca 0.09 -1.30 -0.24 0.00 -1.81 0.00 0.00 61.98 58.73 2iz3 s VAL 10 Cb -0.01 -0.82 -0.16 0.00 0.56 0.00 0.00 36.38 35.95 2iz3 s VAL 10 CO -0.03 -0.72 1.12 1.55 -0.31 0.00 0.00 175.10 176.72 2iz3 h PRO 11 N 3.98 -0.38 -0.45 4.82 0.13 -2.00 -3.25 132.00 134.85 2iz3 h PRO 11 Ca -0.33 0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.75 2iz3 h PRO 11 Cb 1.18 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2iz3 h PRO 11 CO 0.52 -0.04 -0.05 0.78 -0.23 0.00 0.00 178.00 178.99 2iz3 h GLY 12 N -0.82 0.83 -5.18 1.56 0.00 -2.05 -3.48 103.07 93.93 2iz3 h GLY 12 Ca -0.04 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.72 2iz3 h GLY 12 CO 0.07 0.53 -1.04 1.34 0.00 0.00 0.00 176.54 177.44 2iz3 n ASP 13 N -4.20 -3.39 0.20 0.19 2.03 -1.23 -5.01 116.55 105.14 2iz3 n ASP 13 Ca 0.02 1.32 0.00 0.00 0.52 0.00 0.00 54.79 56.65 2iz3 n ASP 13 Cb 0.32 -4.15 0.00 0.00 -0.72 0.00 0.00 41.12 36.57 2iz3 n ASP 13 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2iz3 n SER 14 N 1.96 -2.95 0.04 1.67 3.41 -1.26 -4.93 113.62 111.56 2iz3 n SER 14 Ca -0.24 0.75 0.11 0.00 -0.26 0.00 0.00 58.87 59.24 2iz3 n SER 14 Cb 0.37 2.82 0.04 0.00 -0.26 0.00 0.00 64.21 67.18 2iz3 n SER 14 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2iz3 n THR 15 N -3.40 0.25 -1.92 6.66 -2.24 -1.26 -4.95 114.28 107.42 2iz3 n THR 15 Ca 0.00 -0.30 -0.17 0.00 -2.27 0.00 0.00 64.05 61.31 2iz3 n THR 15 Cb 0.00 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 2iz3 n THR 15 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2iz3 n ARG 16 N -2.09 -1.62 0.00 -0.78 5.12 -1.26 -4.86 116.66 111.16 2iz3 n ARG 16 Ca 0.02 0.93 0.00 0.00 -1.93 0.00 0.00 57.85 56.87 2iz3 n ARG 16 Cb 0.46 -5.39 0.00 0.00 -1.16 0.00 0.00 32.46 26.36 2iz3 n ARG 16 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2iz3 n LYS 17 N -2.49 0.00 -1.51 5.56 2.85 -1.26 -5.00 118.16 116.31 2iz3 n LYS 17 Ca -0.19 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.72 2iz3 n LYS 17 Cb 0.60 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 35.04 2iz3 n LYS 17 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2iz3 s MET 19 N -3.74 3.09 0.89 0.00 0.00 -1.26 -4.12 119.30 114.16 2iz3 s MET 19 Ca 0.59 -0.57 -0.14 0.00 0.00 0.00 0.00 55.69 55.57 2iz3 s MET 19 Cb 0.47 -2.68 0.13 0.00 0.00 0.00 0.00 34.83 32.76 2iz3 s MET 19 CO -0.15 0.48 1.21 0.16 0.00 0.00 0.00 175.02 176.72 2iz3 s ASP 20 N -0.31 3.78 0.48 1.11 1.47 -1.25 -4.79 116.67 117.16 2iz3 s ASP 20 Ca 0.04 0.64 0.23 0.00 1.18 0.00 0.00 52.55 54.64 2iz3 s ASP 20 Cb -0.13 -1.00 1.21 0.00 -0.34 0.00 0.00 42.92 42.66 2iz3 s ASP 20 CO 0.02 -2.35 1.99 -0.07 0.68 0.00 0.00 175.17 175.45 2iz3 h LEU 21 N -1.37 0.00 -0.73 2.11 3.38 -1.99 -2.69 115.31 114.02 2iz3 h LEU 21 Ca -0.46 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 2iz3 h LEU 21 Cb 1.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 2iz3 h LEU 21 CO 0.56 0.18 0.19 0.11 0.09 0.00 0.00 178.44 179.57 2iz3 h LYS 22 N 0.00 1.15 0.00 1.13 1.79 -2.00 -3.46 116.57 115.18 2iz3 h LYS 22 Ca -0.00 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 2iz3 h LYS 22 Cb 0.43 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 2iz3 h LYS 22 CO 0.02 1.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.81 2iz3 n GLY 23 N -0.70 1.38 3.41 3.86 0.00 -1.01 -5.09 105.19 107.03 2iz3 n GLY 23 Ca 0.06 0.00 -0.40 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 -2.00 5.65 0.14 1.61 0.02 -1.26 -4.94 114.94 114.16 2iz3 s ASN 24 Ca 0.00 -0.76 -0.30 0.00 -1.02 0.00 0.00 52.86 50.78 2iz3 s ASN 24 Cb 0.00 -2.02 -0.07 0.00 0.02 0.00 0.00 41.25 39.19 2iz3 s ASN 24 CO 0.00 -0.29 1.05 -0.75 0.02 0.00 0.00 177.10 177.12 2iz3 s LYS 25 N 1.59 4.63 -0.12 -0.60 2.20 -1.26 -3.77 119.74 122.41 2iz3 s LYS 25 Ca 0.03 1.60 -0.02 0.00 -0.36 0.00 0.00 55.97 57.23 2iz3 s LYS 25 Cb -0.18 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 2iz3 s LYS 25 CO 0.07 0.12 -0.03 -3.38 -0.36 0.00 0.00 175.35 171.76 2iz3 s HIS 26 N -0.06 3.04 0.93 4.03 0.00 -1.26 -5.05 115.29 116.92 2iz3 s HIS 26 Ca 0.49 -0.08 -0.16 0.00 -3.00 0.00 0.00 55.06 52.31 2iz3 s HIS 26 Cb -0.27 -1.85 0.22 0.00 -4.00 0.00 0.00 32.58 26.68 2iz3 s HIS 26 CO 0.32 0.20 1.05 -0.35 -1.00 0.00 0.00 174.74 174.95 2iz3 n PRO 27 N 2.83 -1.88 -2.08 -0.38 -0.04 -1.26 -4.88 135.00 127.31 2iz3 n PRO 27 Ca -0.18 -1.64 -0.38 0.00 -0.04 0.00 0.00 63.50 61.27 2iz3 n PRO 27 Cb 0.53 -1.27 0.01 0.00 -0.04 0.00 0.00 33.50 32.72 2iz3 n PRO 27 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2iz3 s ILE 28 N -3.13 2.72 0.00 0.52 -1.09 -1.26 -2.33 121.20 116.63 2iz3 s ILE 28 Ca 0.63 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 59.61 2iz3 s ILE 28 Cb -0.04 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 2iz3 s ILE 28 CO 0.46 0.01 0.00 -3.20 -1.23 0.00 0.00 174.94 170.98 2iz3 n ASN 29 N -0.50 -1.39 -4.62 3.58 2.85 -1.17 -4.99 115.26 109.03 2iz3 n ASN 29 Ca 0.07 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.19 2iz3 n ASN 29 Cb 0.46 -0.85 -0.10 0.00 1.24 0.00 0.00 39.78 40.54 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 -2.47 5.74 0.07 1.20 0.15 -0.98 -5.03 113.70 112.38 2iz3 s SER 30 Ca 0.00 0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.75 2iz3 s SER 30 Cb 0.00 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.26 2iz3 s SER 30 CO 0.00 0.11 -0.01 -1.61 1.20 0.00 0.00 173.24 172.93 2iz3 s GLU 31 N 0.77 2.54 -0.02 5.44 2.02 -1.26 -3.60 118.70 124.59 2iz3 s GLU 31 Ca 0.05 -0.82 -0.03 0.00 0.02 0.00 0.00 54.97 54.20 2iz3 s GLU 31 Cb -0.13 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.57 2iz3 s GLU 31 CO 0.02 0.55 0.07 1.67 0.02 0.00 0.00 175.26 177.59 2iz3 s TRP 32 N -1.25 -0.03 0.12 1.61 -2.14 -1.10 -5.05 118.94 111.10 2iz3 s TRP 32 Ca 0.24 0.08 -0.16 0.00 2.66 0.00 0.00 56.10 58.93 2iz3 s TRP 32 Cb -0.12 -0.00 -0.07 0.00 -3.10 0.00 0.00 33.47 30.18 2iz3 s TRP 32 CO 0.16 -0.08 0.55 -0.65 -2.66 0.00 0.00 176.95 174.27 2iz3 s GLN 33 N -0.25 4.04 0.33 3.25 1.11 -1.26 -2.74 119.66 124.14 2iz3 s GLN 33 Ca -0.03 0.56 0.07 0.00 0.01 0.00 0.00 55.36 55.97 2iz3 s GLN 33 Cb -0.02 -3.04 -0.02 0.00 -1.01 0.00 0.00 33.01 28.92 2iz3 s GLN 33 CO 0.00 0.54 0.39 0.95 0.01 0.00 0.00 175.29 177.18 2iz3 s THR 34 N -1.34 3.85 -1.80 -0.19 -4.23 0.49 -5.00 115.64 107.43 2iz3 s THR 34 Ca 0.34 -1.16 0.30 0.00 -1.18 0.00 0.00 61.69 60.00 2iz3 s THR 34 Cb -0.16 -3.32 0.66 0.00 1.34 0.00 0.00 72.50 71.02 2iz3 s THR 34 CO 0.19 -0.17 2.05 0.47 -0.54 0.00 0.00 174.62 176.62 2iz3 n ASP 35 N -1.52 0.26 -1.95 3.99 8.00 -1.26 -3.16 116.55 120.90 2iz3 n ASP 35 Ca -0.01 -0.71 -0.04 0.00 0.71 0.00 0.00 54.79 54.74 2iz3 n ASP 35 Cb 0.59 -0.09 0.30 0.00 -0.02 0.00 0.00 41.12 41.90 2iz3 n ASP 35 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2iz3 n ASN 36 N -0.96 4.82 -3.48 -2.24 3.02 -1.26 -4.93 115.26 110.23 2iz3 n ASN 36 Ca 0.19 -3.12 -0.22 0.00 -0.03 0.00 0.00 54.58 51.39 2iz3 n ASN 36 Cb 0.21 -0.73 0.04 0.00 -0.61 0.00 0.00 39.78 38.69 2iz3 n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2iz3 s GLU 38 N -5.08 1.12 -0.07 0.00 2.12 -1.26 -2.99 118.70 112.54 2iz3 s GLU 38 Ca 0.38 0.02 0.02 0.00 0.36 0.00 0.00 54.97 55.76 2iz3 s GLU 38 Cb -0.11 0.52 0.01 0.00 0.26 0.00 0.00 34.13 34.82 2iz3 s GLU 38 CO 0.81 -0.40 -0.12 0.99 -0.54 0.00 0.00 175.26 176.00 2iz3 s THR 39 N -1.99 1.17 0.17 -1.70 2.01 -0.88 -0.38 115.64 114.05 2iz3 s THR 39 Ca -0.07 -0.49 0.11 0.00 0.31 0.00 0.00 61.69 61.54 2iz3 s THR 39 Cb -0.00 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 2iz3 s THR 39 CO 0.03 0.36 -0.21 0.00 -0.69 0.00 0.00 174.62 174.11 2iz3 s THR 41 N -1.54 1.49 -0.18 0.00 2.01 0.66 -2.69 115.64 115.39 2iz3 s THR 41 Ca 0.20 -0.72 -0.21 0.00 0.31 0.00 0.00 61.69 61.27 2iz3 s THR 41 Cb -0.09 -1.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 2iz3 s THR 41 CO 0.10 0.43 0.66 0.00 -0.69 0.00 0.00 174.62 175.12 2iz3 s TYR 43 N 1.85 1.68 0.15 0.00 2.02 0.20 -3.02 117.35 120.23 2iz3 s TYR 43 Ca 0.30 -0.91 -0.29 0.00 -0.37 0.00 0.00 57.07 55.80 2iz3 s TYR 43 Cb -0.16 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 2iz3 s TYR 43 CO 0.11 -0.17 1.56 0.93 -1.57 0.00 0.00 175.55 176.40 2iz3 h GLU 44 N 1.00 -0.25 -0.27 -0.62 5.08 -2.00 -3.30 114.58 114.22 2iz3 h GLU 44 Ca -0.40 0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 57.75 2iz3 h GLU 44 Cb 1.31 0.06 -0.38 0.00 0.50 0.00 0.00 28.75 30.24 2iz3 h GLU 44 CO 0.65 -0.17 -1.05 0.25 -1.00 0.00 0.00 179.01 177.68 2iz3 n THR 45 N -5.37 0.90 -3.60 1.13 -2.24 -1.26 -5.10 114.28 98.74 2iz3 n THR 45 Ca -0.00 -2.29 -0.07 0.00 -2.27 0.00 0.00 64.05 59.42 2iz3 n THR 45 Cb 0.34 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.56 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 -2.37 1.09 -0.06 -0.78 -1.05 -1.24 -4.00 118.70 110.29 2iz3 s GLU 46 Ca 0.31 -0.50 0.02 0.00 -0.15 0.00 0.00 54.97 54.66 2iz3 s GLU 46 Cb 0.35 0.44 0.01 0.00 -0.44 0.00 0.00 34.13 34.49 2iz3 s GLU 46 CO -0.09 -0.49 -0.13 0.42 0.95 0.00 0.00 175.26 175.93 2iz3 s ILE 47 N -3.34 1.16 0.07 1.83 1.01 -0.51 -0.63 121.20 120.78 2iz3 s ILE 47 Ca 0.07 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.25 2iz3 s ILE 47 Cb -0.02 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 2iz3 s ILE 47 CO -0.05 0.36 0.09 -0.44 0.00 0.00 0.00 174.94 174.90 2iz3 s SER 48 N 0.63 5.59 0.04 3.58 0.01 -0.78 -0.31 113.70 122.46 2iz3 s SER 48 Ca -0.14 0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.11 2iz3 s SER 48 Cb -0.16 -1.53 -0.02 0.00 0.21 0.00 0.00 66.02 64.53 2iz3 s SER 48 CO 0.04 0.18 0.05 0.00 0.41 0.00 0.00 173.24 173.92 2iz3 s THR 51 N 1.91 2.52 -1.36 0.00 -1.32 -1.26 -2.06 115.64 114.06 2iz3 s THR 51 Ca -0.07 0.43 0.25 0.00 -1.21 0.00 0.00 61.69 61.09 2iz3 s THR 51 Cb -0.09 -3.24 0.12 0.00 -1.51 0.00 0.00 72.50 67.78 2iz3 s THR 51 CO -0.14 0.03 1.47 0.18 -2.21 0.00 0.00 174.62 173.95 2iz3 n LEU 52 N -0.34 0.78 -4.75 9.08 4.77 -1.16 -4.89 117.00 120.48 2iz3 n LEU 52 Ca 0.06 -0.14 -0.31 0.00 -0.03 0.00 0.00 56.01 55.59 2iz3 n LEU 52 Cb 0.45 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2iz3 n LEU 52 CO 0.54 0.16 -0.28 0.68 -1.33 0.00 0.00 177.39 177.16 2iz3 s VAL 53 N -2.76 4.43 0.20 4.08 -7.23 -1.26 -4.77 120.40 113.08 2iz3 s VAL 53 Ca 0.17 -0.70 0.01 0.00 -1.81 0.00 0.00 61.98 59.65 2iz3 s VAL 53 Cb 0.18 -3.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 2iz3 s VAL 53 CO 0.62 0.21 0.36 -0.44 -0.31 0.00 0.00 175.10 175.54 2iz3 s SER 54 N -2.10 6.36 -0.20 4.85 0.01 -1.26 -4.86 113.70 116.50 2iz3 s SER 54 Ca 0.26 0.29 -0.10 0.00 1.31 0.00 0.00 55.95 57.72 2iz3 s SER 54 Cb -0.12 -1.96 -0.05 0.00 0.21 0.00 0.00 66.02 64.10 2iz3 s SER 54 CO 0.18 -0.03 0.12 -0.89 0.41 0.00 0.00 173.24 173.03 2iz3 s THR 55 N -1.86 5.31 -0.22 1.44 2.01 -0.58 -3.93 115.64 117.80 2iz3 s THR 55 Ca 0.37 0.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.23 2iz3 s THR 55 Cb -0.11 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 68.98 2iz3 s THR 55 CO 0.29 0.43 1.06 -2.16 -0.69 0.00 0.00 174.62 173.56 2iz3 s PRO 56 N 0.45 4.26 -0.02 4.92 0.04 -1.26 -2.45 135.00 140.94 2iz3 s PRO 56 Ca 0.07 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.49 2iz3 s PRO 56 Cb -0.12 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.78 2iz3 s PRO 56 CO -0.01 -0.64 0.04 0.54 0.04 0.00 0.00 177.00 176.98 2iz3 s VAL 57 N 3.23 0.00 0.00 -0.36 0.11 -1.18 -4.87 120.40 117.32 2iz3 s VAL 57 Ca 0.45 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.48 2iz3 s VAL 57 Cb -0.16 -0.07 0.00 0.00 -1.53 0.00 0.00 36.38 34.62 2iz3 s VAL 57 CO 0.07 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 2iz3 n GLY 58 N 3.02 1.28 3.28 6.54 0.00 -1.26 -2.85 105.19 115.20 2iz3 n GLY 58 Ca -0.12 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.13 1.38 -0.65 1.61 1.13 -1.26 -2.27 117.35 115.16 2iz3 s TYR 59 Ca 0.00 -0.81 -0.27 0.00 -1.41 0.00 0.00 57.07 54.58 2iz3 s TYR 59 Cb 0.00 -0.73 0.01 0.00 -1.10 0.00 0.00 41.96 40.14 2iz3 s TYR 59 CO 0.00 0.05 1.49 -0.51 -2.51 0.00 0.00 175.55 174.07 2iz3 s ASP 60 N -3.22 5.89 0.19 -0.18 1.01 -1.26 -4.86 116.67 114.24 2iz3 s ASP 60 Ca 0.21 0.00 -0.12 0.00 0.71 0.00 0.00 52.55 53.34 2iz3 s ASP 60 Cb 0.03 -2.55 0.12 0.00 1.01 0.00 0.00 42.92 41.54 2iz3 s ASP 60 CO 0.03 -1.96 1.84 0.11 0.21 0.00 0.00 175.17 175.41 2iz3 h LYS 61 N 11.76 0.73 -0.71 8.23 1.57 -1.99 -2.11 116.57 134.04 2iz3 h LYS 61 Ca -0.27 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 2iz3 h LYS 61 Cb 1.10 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 2iz3 h LYS 61 CO 1.23 0.48 0.30 0.22 -0.57 0.00 0.00 179.45 181.11 2iz3 h ASP 62 N 0.75 0.95 -1.70 0.86 1.82 -2.03 -2.92 116.42 114.14 2iz3 h ASP 62 Ca 0.23 -0.13 -0.71 0.00 -0.39 0.00 0.00 57.03 56.02 2iz3 h ASP 62 Cb -0.02 -0.25 -0.31 0.00 0.68 0.00 0.00 39.33 39.43 2iz3 h ASP 62 CO -0.08 0.84 0.64 0.59 -1.61 0.00 0.00 179.24 179.62 2iz3 n ASN 63 N -4.30 6.96 0.00 2.28 3.02 -0.90 -4.91 115.26 117.42 2iz3 n ASN 63 Ca 0.06 -3.81 0.00 0.00 -0.03 0.00 0.00 54.58 50.81 2iz3 n ASN 63 Cb 0.17 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 2iz3 n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2iz3 s GLN 65 N -1.31 1.06 0.13 0.00 -2.07 -0.95 -4.34 119.66 112.17 2iz3 s GLN 65 Ca 0.00 -0.63 -0.25 0.00 -1.82 0.00 0.00 55.36 52.66 2iz3 s GLN 65 Cb 0.00 -1.05 -0.07 0.00 -1.09 0.00 0.00 33.01 30.80 2iz3 s GLN 65 CO 0.00 0.28 0.76 -0.98 -1.32 0.00 0.00 175.29 174.03 2iz3 s ARG 66 N -0.71 4.53 -0.05 9.60 1.70 -1.26 -2.84 118.95 129.91 2iz3 s ARG 66 Ca 0.04 1.11 0.04 0.00 -0.47 0.00 0.00 55.73 56.45 2iz3 s ARG 66 Cb -0.07 -3.29 0.00 0.00 -0.57 0.00 0.00 34.95 31.03 2iz3 s ARG 66 CO 0.00 0.50 -0.16 0.42 -1.08 0.00 0.00 175.30 174.98 2iz3 s ILE 67 N -0.85 1.37 -0.20 4.99 1.01 0.36 -4.96 121.20 122.92 2iz3 s ILE 67 Ca 0.36 -0.66 -0.26 0.00 0.00 0.00 0.00 60.65 60.10 2iz3 s ILE 67 Cb -0.22 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 2iz3 s ILE 67 CO 0.25 0.40 0.86 0.12 0.00 0.00 0.00 174.94 176.57 2iz3 s PHE 68 N 0.24 3.38 -0.31 3.97 5.36 -1.26 -2.61 117.98 126.75 2iz3 s PHE 68 Ca -0.08 1.25 0.02 0.00 -0.96 0.00 0.00 56.93 57.16 2iz3 s PHE 68 Cb -0.13 -3.06 0.08 0.00 -0.34 0.00 0.00 43.02 39.57 2iz3 s PHE 68 CO 0.03 -0.32 -0.00 0.15 -1.46 0.00 0.00 175.22 173.62 2iz3 s LYS 69 N 2.47 1.97 0.15 10.12 3.01 -1.07 -4.99 119.74 131.42 2iz3 s LYS 69 Ca 0.38 -1.57 -0.12 0.00 -1.01 0.00 0.00 55.97 53.65 2iz3 s LYS 69 Cb -0.16 -3.12 0.03 0.00 -1.01 0.00 0.00 37.83 33.57 2iz3 s LYS 69 CO 0.10 -0.76 1.62 0.87 0.51 0.00 0.00 175.35 177.70 2iz3 h LYS 70 N 7.78 0.88 -0.56 1.68 1.57 -1.96 0.61 116.57 126.56 2iz3 h LYS 70 Ca -0.13 -0.26 0.16 0.00 -1.87 0.00 0.00 60.65 58.55 2iz3 h LYS 70 Cb 1.04 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 2iz3 h LYS 70 CO 0.52 0.89 0.46 1.49 -0.57 0.00 0.00 179.45 182.23 2iz3 h GLU 71 N 0.75 0.00 -0.05 3.15 4.57 -1.96 0.15 114.58 121.19 2iz3 h GLU 71 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2iz3 h GLU 71 Cb 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2iz3 h GLU 71 CO 0.02 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 177.60 2iz3 n ASP 72 N -4.09 1.90 -3.78 1.04 8.00 -1.11 -5.03 116.55 113.48 2iz3 n ASP 72 Ca 0.11 -1.75 -0.29 0.00 0.71 0.00 0.00 54.79 53.57 2iz3 n ASP 72 Cb 0.69 -0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.76 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 -5.53 0.63 -0.14 0.00 -2.85 -1.06 -4.29 119.74 106.50 2iz3 s LYS 74 Ca 0.16 -0.25 -0.07 0.00 -1.00 0.00 0.00 55.97 54.81 2iz3 s LYS 74 Cb -0.09 0.28 -0.04 0.00 -2.06 0.00 0.00 37.83 35.92 2iz3 s LYS 74 CO 0.80 -0.28 0.10 0.71 0.10 0.00 0.00 175.35 176.78 2iz3 s TYR 75 N -2.83 3.42 0.04 1.78 2.02 -1.25 -2.59 117.35 117.94 2iz3 s TYR 75 Ca 0.08 0.34 0.05 0.00 -0.37 0.00 0.00 57.07 57.17 2iz3 s TYR 75 Cb -0.01 -1.98 -0.02 0.00 -0.40 0.00 0.00 41.96 39.55 2iz3 s TYR 75 CO -0.06 0.49 -0.15 0.96 -1.57 0.00 0.00 175.55 175.22 2iz3 s ILE 76 N -0.47 1.20 -0.14 2.71 -4.36 -1.07 -4.83 121.20 114.23 2iz3 s ILE 76 Ca 0.11 -1.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.50 2iz3 s ILE 76 Cb -0.12 -1.08 -0.00 0.00 1.25 0.00 0.00 42.46 42.51 2iz3 s ILE 76 CO 0.02 0.05 -0.16 0.68 0.24 0.00 0.00 174.94 175.78 2iz3 s VAL 77 N -0.81 2.70 0.15 8.37 -7.23 -1.26 -0.49 120.40 121.82 2iz3 s VAL 77 Ca 0.03 -0.77 0.05 0.00 -1.81 0.00 0.00 61.98 59.48 2iz3 s VAL 77 Cb -0.08 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 2iz3 s VAL 77 CO 0.01 0.52 -0.11 0.68 -0.31 0.00 0.00 175.10 175.89 2iz3 s VAL 78 N 0.67 1.22 0.46 1.32 -7.23 -1.13 0.59 120.40 116.30 2iz3 s VAL 78 Ca -0.08 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 57.84 2iz3 s VAL 78 Cb -0.16 -1.80 -0.07 0.00 0.56 0.00 0.00 36.38 34.91 2iz3 s VAL 78 CO 0.02 -0.69 1.30 -1.61 -0.31 0.00 0.00 175.10 173.81 2iz3 s GLU 79 N -3.56 3.65 0.11 4.82 2.02 -0.96 -2.25 118.70 122.53 2iz3 s GLU 79 Ca 0.16 2.12 -0.14 0.00 0.02 0.00 0.00 54.97 57.12 2iz3 s GLU 79 Cb 0.01 -2.52 -0.08 0.00 0.10 0.00 0.00 34.13 31.64 2iz3 s GLU 79 CO 0.01 -0.74 1.42 0.87 0.02 0.00 0.00 175.26 176.85 2iz3 h LYS 80 N 2.15 0.75 -0.82 1.61 1.57 -1.91 -2.88 116.57 117.04 2iz3 h LYS 80 Ca -0.50 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 57.84 2iz3 h LYS 80 Cb 1.26 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.56 2iz3 h LYS 80 CO 0.60 1.03 0.38 0.87 -0.57 0.00 0.00 179.45 181.77 2iz3 h LYS 81 N 0.51 1.18 -2.98 3.15 1.57 -1.95 -3.39 116.57 114.65 2iz3 h LYS 81 Ca 0.04 -0.18 -0.51 0.00 -1.87 0.00 0.00 60.65 58.14 2iz3 h LYS 81 Cb 0.91 -0.21 -0.40 0.00 0.08 0.00 0.00 32.23 32.60 2iz3 h LYS 81 CO 0.08 0.92 -0.77 0.16 -0.57 0.00 0.00 179.45 179.27 2iz3 s ASP 82 N -6.26 3.10 0.00 0.86 -4.77 -1.19 -5.01 116.67 103.40 2iz3 s ASP 82 Ca -0.13 -1.04 0.23 0.00 -3.30 0.00 0.00 52.55 48.32 2iz3 s ASP 82 Cb 0.16 -0.36 1.16 0.00 -1.09 0.00 0.00 42.92 42.79 2iz3 s ASP 82 CO 0.83 -0.40 1.75 -0.81 0.70 0.00 0.00 175.17 177.24 2iz3 n PRO 83 N 5.22 0.33 0.03 2.11 -0.04 -1.09 -2.88 135.00 138.68 2iz3 n PRO 83 Ca -0.06 0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 2iz3 n PRO 83 Cb 0.45 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.88 2iz3 n PRO 83 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2iz3 n LYS 84 N -1.28 0.06 -4.87 0.54 5.02 -1.26 -4.71 118.16 111.65 2iz3 n LYS 84 Ca 0.11 0.16 -0.33 0.00 -2.02 0.00 0.00 58.31 56.23 2iz3 n LYS 84 Cb 0.18 -1.58 -0.13 0.00 -0.02 0.00 0.00 35.03 33.48 2iz3 n LYS 84 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2iz3 s LYS 85 N -3.05 2.71 0.60 1.97 2.20 -1.14 -5.09 119.74 117.94 2iz3 s LYS 85 Ca 0.10 -0.69 -0.08 0.00 -0.36 0.00 0.00 55.97 54.94 2iz3 s LYS 85 Cb 0.14 -2.43 -0.00 0.00 -1.51 0.00 0.00 37.83 34.02 2iz3 s LYS 85 CO 0.44 0.53 0.94 0.95 -0.36 0.00 0.00 175.35 177.85 2iz3 s THR 86 N -0.48 3.95 0.28 3.43 -4.23 -1.26 -2.28 115.64 115.06 2iz3 s THR 86 Ca 0.06 0.25 0.06 0.00 -1.18 0.00 0.00 61.69 60.88 2iz3 s THR 86 Cb -0.12 -3.58 -0.02 0.00 1.34 0.00 0.00 72.50 70.12 2iz3 s THR 86 CO 0.02 -0.65 0.36 0.00 -0.54 0.00 0.00 174.62 173.81 2iz3 s SER 88 N -4.02 6.48 -0.06 0.00 0.01 -1.26 -4.89 113.70 109.96 2iz3 s SER 88 Ca 0.38 0.57 0.04 0.00 1.31 0.00 0.00 55.95 58.26 2iz3 s SER 88 Cb -0.09 -2.24 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 2iz3 s SER 88 CO 0.29 -0.06 -0.18 -0.69 0.41 0.00 0.00 173.24 173.01 2iz3 s VAL 89 N 1.17 2.72 0.24 3.43 1.01 -1.26 -4.40 120.40 123.31 2iz3 s VAL 89 Ca 0.20 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 2iz3 s VAL 89 Cb -0.15 -2.05 0.07 0.00 0.00 0.00 0.00 36.38 34.26 2iz3 s VAL 89 CO 0.08 0.58 1.69 0.28 0.00 0.00 0.00 175.10 177.73 2iz3 h SER 90 N 5.67 0.74 -4.50 3.32 0.02 -1.47 -3.47 113.55 113.87 2iz3 h SER 90 Ca -0.41 -0.23 0.14 0.00 -0.84 0.00 0.00 61.79 60.46 2iz3 h SER 90 Cb 1.16 -0.20 -0.17 0.00 0.14 0.00 0.00 62.40 63.33 2iz3 h SER 90 CO 0.50 0.89 0.57 -1.83 -1.14 0.00 0.00 176.83 175.82 2iz3 s GLU 91 N -4.75 0.68 0.04 3.45 -1.05 -1.13 -5.06 118.70 110.88 2iz3 s GLU 91 Ca -0.09 -0.22 0.07 0.00 -0.15 0.00 0.00 54.97 54.58 2iz3 s GLU 91 Cb 0.14 0.31 -0.03 0.00 -0.44 0.00 0.00 34.13 34.11 2iz3 s GLU 91 CO 0.82 -0.29 -0.19 -1.58 0.95 0.00 0.00 175.26 174.97 2iz3 s TRP 92 N -2.78 2.53 -0.21 4.83 0.52 -1.26 -3.13 118.94 119.44 2iz3 s TRP 92 Ca 0.05 -0.27 -0.08 0.00 0.02 0.00 0.00 56.10 55.82 2iz3 s TRP 92 Cb -0.01 -1.45 -0.04 0.00 -1.15 0.00 0.00 33.47 30.82 2iz3 s TRP 92 CO -0.07 0.24 0.08 0.42 0.02 0.00 0.00 176.95 177.64 2iz3 s ILE 93 N -0.91 4.70 0.00 2.03 1.01 -1.03 -4.91 121.20 122.09 2iz3 s ILE 93 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.74 2iz3 s ILE 93 Cb -0.10 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.21 2iz3 s ILE 93 CO 0.05 0.40 0.00 0.00 0.00 0.00 0.00 174.94 175.39