#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ix0 s TYR 3 N -1.81 2.53 -0.08 0.00 -0.85 -0.28 -4.97 117.35 111.90 3ix0 s TYR 3 Ca 0.03 -0.26 0.01 0.00 -0.52 0.00 0.00 57.07 56.33 3ix0 s TYR 3 Cb -0.07 -1.23 0.02 0.00 0.38 0.00 0.00 41.96 41.06 3ix0 s TYR 3 CO 0.02 0.53 -0.08 -0.06 -1.52 0.00 0.00 175.55 174.44 3ix0 s PHE 4 N -1.77 1.25 0.19 -3.49 0.08 -1.26 -1.75 117.98 111.23 3ix0 s PHE 4 Ca 0.24 -0.51 0.05 0.00 0.12 0.00 0.00 56.93 56.83 3ix0 s PHE 4 Cb -0.08 -1.02 -0.05 0.00 -0.57 0.00 0.00 43.02 41.30 3ix0 s PHE 4 CO 0.14 -0.34 -0.06 0.96 -0.10 0.00 0.00 175.22 175.81 3ix0 s ILE 5 N 1.18 1.20 0.54 0.64 -4.36 -0.15 -4.97 121.20 115.28 3ix0 s ILE 5 Ca -0.06 -2.07 -0.22 0.00 -0.26 0.00 0.00 60.65 58.05 3ix0 s ILE 5 Cb -0.14 -2.10 -0.05 0.00 1.25 0.00 0.00 42.46 41.42 3ix0 s ILE 5 CO -0.02 -0.54 1.35 -2.84 0.24 0.00 0.00 174.94 173.13 3ix0 s PRO 6 N -3.78 3.20 -0.49 0.37 0.02 -1.26 -0.39 135.00 132.66 3ix0 s PRO 6 Ca 0.23 2.22 -0.21 0.00 0.02 0.00 0.00 61.00 63.26 3ix0 s PRO 6 Cb 0.03 -2.28 0.04 0.00 0.02 0.00 0.00 34.50 32.31 3ix0 s PRO 6 CO 0.05 -1.14 0.69 1.21 -0.33 0.00 0.00 177.00 177.48 3ix0 s ASN 7 N -0.95 6.29 0.00 2.53 2.47 -0.85 -4.45 114.94 119.97 3ix0 s ASN 7 Ca 0.71 -0.57 0.26 0.00 0.42 0.00 0.00 52.86 53.68 3ix0 s ASN 7 Cb -0.40 -2.33 0.71 0.00 -1.45 0.00 0.00 41.25 37.78 3ix0 s ASN 7 CO 0.47 -0.91 1.55 -0.62 -3.72 0.00 0.00 177.10 173.87 3ix0 n GLU 8 N 6.46 0.17 0.00 0.43 1.02 -1.26 -4.78 120.64 122.68 3ix0 n GLU 8 Ca -0.03 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 3ix0 n GLU 8 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 3ix0 n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ix0 n GLY 9 N 1.46 0.40 3.12 0.62 0.00 -1.26 -4.49 105.19 105.04 3ix0 n GLY 9 Ca 0.07 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 3ix0 n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ix0 s VAL 10 N 0.00 2.84 0.27 1.61 1.01 -1.26 -4.72 120.40 120.15 3ix0 s VAL 10 Ca 0.00 -1.72 -0.30 0.00 0.00 0.00 0.00 61.98 59.96 3ix0 s VAL 10 Cb 0.00 -2.78 -0.14 0.00 0.00 0.00 0.00 36.38 33.46 3ix0 s VAL 10 CO 0.00 -0.31 1.20 -2.65 0.00 0.00 0.00 175.10 173.35 3ix0 n PRO 11 N 4.53 1.68 0.00 2.72 -0.02 -1.26 -0.62 135.00 142.03 3ix0 n PRO 11 Ca -0.08 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3ix0 n PRO 11 Cb 0.42 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3ix0 n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ix0 n GLY 12 N 1.49 2.77 3.76 -1.23 0.00 -1.26 -5.04 105.19 105.68 3ix0 n GLY 12 Ca 0.10 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 3ix0 n GLY 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ix0 s ASP 13 N 0.42 4.90 -0.05 1.61 1.11 0.21 -4.93 116.67 119.94 3ix0 s ASP 13 Ca 0.00 2.07 0.12 0.00 0.18 0.00 0.00 52.55 54.92 3ix0 s ASP 13 Cb 0.00 -2.56 0.44 0.00 1.07 0.00 0.00 42.92 41.87 3ix0 s ASP 13 CO 0.00 -1.77 1.31 -1.54 1.18 0.00 0.00 175.17 174.35 3ix0 n SER 14 N -2.50 2.97 -3.74 0.27 3.41 -1.26 -4.90 113.62 107.87 3ix0 n SER 14 Ca 0.11 -2.21 -0.10 0.00 -0.26 0.00 0.00 58.87 56.41 3ix0 n SER 14 Cb 0.52 -0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 64.00 3ix0 n SER 14 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3ix0 s THR 15 N -1.64 0.06 -0.34 6.66 2.01 -1.26 -5.06 115.64 116.06 3ix0 s THR 15 Ca 0.32 -0.83 0.10 0.00 0.31 0.00 0.00 61.69 61.58 3ix0 s THR 15 Cb 0.19 -1.43 0.70 0.00 0.01 0.00 0.00 72.50 71.98 3ix0 s THR 15 CO 0.17 -0.28 1.68 0.54 -0.69 0.00 0.00 174.62 176.04 3ix0 n ARG 16 N -0.24 3.83 -1.47 4.92 3.00 -1.26 -4.39 116.66 121.05 3ix0 n ARG 16 Ca -0.13 -2.80 -0.48 0.00 -0.01 0.00 0.00 57.85 54.44 3ix0 n ARG 16 Cb 0.63 -2.16 -0.03 0.00 0.00 0.00 0.00 32.46 30.90 3ix0 n ARG 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3ix0 n LYS 17 N 0.12 0.43 -2.66 5.56 5.02 -1.26 -4.51 118.16 120.85 3ix0 n LYS 17 Ca 0.33 0.15 -0.41 0.00 -2.02 0.00 0.00 58.31 56.36 3ix0 n LYS 17 Cb 1.24 -1.32 -0.04 0.00 -0.02 0.00 0.00 35.03 34.88 3ix0 n LYS 17 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ix0 s MET 19 N 0.18 4.02 0.33 0.00 1.75 -1.26 -0.31 119.30 124.01 3ix0 s MET 19 Ca 0.49 0.14 -0.00 0.00 -1.25 0.00 0.00 55.69 55.08 3ix0 s MET 19 Cb -0.25 -3.33 0.06 0.00 2.84 0.00 0.00 34.83 34.16 3ix0 s MET 19 CO 0.30 0.45 0.45 -0.40 -0.65 0.00 0.00 175.02 175.17 3ix0 n ASP 20 N 2.83 0.60 0.15 1.11 5.68 -0.38 -5.00 116.55 121.55 3ix0 n ASP 20 Ca -0.14 -1.51 0.02 0.00 -0.50 0.00 0.00 54.79 52.66 3ix0 n ASP 20 Cb 0.53 -0.29 0.19 0.00 -1.14 0.00 0.00 41.12 40.41 3ix0 n ASP 20 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3ix0 h LEU 21 N 0.00 0.00 -2.60 -2.12 3.38 -1.99 -3.12 115.31 108.86 3ix0 h LEU 21 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3ix0 h LEU 21 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3ix0 h LEU 21 CO 0.16 0.54 0.00 0.29 0.09 0.00 0.00 178.44 179.52 3ix0 n LYS 22 N -3.55 3.43 -1.00 1.13 5.02 -1.26 -4.92 118.16 117.00 3ix0 n LYS 22 Ca -0.00 -2.11 0.00 0.00 -2.02 0.00 0.00 58.31 54.18 3ix0 n LYS 22 Cb 0.62 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 3ix0 n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ix0 n GLY 23 N 0.58 0.49 3.76 0.72 0.00 -1.18 -5.04 105.19 104.52 3ix0 n GLY 23 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3ix0 n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ix0 s ASN 24 N -2.01 7.11 -0.02 1.61 0.01 -1.26 -4.88 114.94 115.49 3ix0 s ASN 24 Ca 0.00 1.32 -0.12 0.00 -0.71 0.00 0.00 52.86 53.35 3ix0 s ASN 24 Cb 0.00 -2.41 -0.05 0.00 0.41 0.00 0.00 41.25 39.20 3ix0 s ASN 24 CO 0.00 0.10 0.33 -0.54 -1.51 0.00 0.00 177.10 175.48 3ix0 s LYS 25 N -0.35 3.76 0.01 -0.60 1.02 -1.26 -1.25 119.74 121.07 3ix0 s LYS 25 Ca 0.34 0.22 0.07 0.00 0.02 0.00 0.00 55.97 56.62 3ix0 s LYS 25 Cb -0.20 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.91 3ix0 s LYS 25 CO 0.20 0.70 -0.22 -1.01 -0.92 0.00 0.00 175.35 174.10 3ix0 s HIS 26 N -1.12 1.93 0.49 3.18 3.76 0.58 -4.96 115.29 119.16 3ix0 s HIS 26 Ca 0.23 -0.37 -0.23 0.00 -0.15 0.00 0.00 55.06 54.53 3ix0 s HIS 26 Cb -0.15 -1.20 -0.06 0.00 1.11 0.00 0.00 32.58 32.28 3ix0 s HIS 26 CO 0.12 0.03 1.28 -2.14 -0.85 0.00 0.00 174.74 173.18 3ix0 s PRO 27 N -0.85 3.52 0.30 8.40 0.02 -1.26 -1.71 135.00 143.42 3ix0 s PRO 27 Ca 0.08 2.06 -0.29 0.00 0.02 0.00 0.00 61.00 62.88 3ix0 s PRO 27 Cb -0.09 -2.41 -0.13 0.00 0.02 0.00 0.00 34.50 31.90 3ix0 s PRO 27 CO 0.00 -0.83 1.33 -0.89 -0.33 0.00 0.00 177.00 176.28 3ix0 n ILE 28 N -0.61 1.59 -1.52 2.83 2.08 -1.26 -1.64 119.36 120.82 3ix0 n ILE 28 Ca 0.08 -0.40 -0.12 0.00 0.56 0.00 0.00 62.75 62.87 3ix0 n ILE 28 Cb 0.46 -1.52 -0.04 0.00 -0.75 0.00 0.00 39.64 37.78 3ix0 n ILE 28 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3ix0 n ASN 29 N 1.33 -4.33 -4.78 4.38 3.02 0.90 -5.01 115.26 110.77 3ix0 n ASN 29 Ca 0.07 0.24 -0.27 0.00 -0.03 0.00 0.00 54.58 54.59 3ix0 n ASN 29 Cb 0.34 -3.01 -0.06 0.00 -0.61 0.00 0.00 39.78 36.44 3ix0 n ASN 29 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3ix0 s SER 30 N -2.79 5.47 0.01 6.41 1.04 -0.65 -4.91 113.70 118.28 3ix0 s SER 30 Ca 0.00 -0.12 0.04 0.00 0.48 0.00 0.00 55.95 56.35 3ix0 s SER 30 Cb 0.00 -1.42 -0.03 0.00 0.10 0.00 0.00 66.02 64.67 3ix0 s SER 30 CO 0.00 0.09 -0.11 -0.70 0.98 0.00 0.00 173.24 173.50 3ix0 s GLU 31 N -2.96 2.40 0.06 4.02 -6.30 -1.26 -1.35 118.70 113.31 3ix0 s GLU 31 Ca 0.30 -0.80 -0.04 0.00 -2.50 0.00 0.00 54.97 51.93 3ix0 s GLU 31 Cb -0.10 -2.39 -0.02 0.00 0.00 0.00 0.00 34.13 31.61 3ix0 s GLU 31 CO 0.23 0.58 0.07 1.67 0.02 0.00 0.00 175.26 177.83 3ix0 s TRP 32 N -0.95 0.33 -0.11 5.30 -2.14 -0.52 -5.01 118.94 115.83 3ix0 s TRP 32 Ca 0.16 -0.78 -0.07 0.00 2.66 0.00 0.00 56.10 58.08 3ix0 s TRP 32 Cb -0.11 -0.22 -0.04 0.00 -3.10 0.00 0.00 33.47 30.00 3ix0 s TRP 32 CO 0.06 -0.42 0.14 -0.65 -2.66 0.00 0.00 176.95 173.42 3ix0 s GLN 33 N -3.55 3.43 0.00 3.25 -0.21 -1.26 -1.14 119.66 120.18 3ix0 s GLN 33 Ca 0.03 -0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.26 3ix0 s GLN 33 Cb 0.05 -3.18 0.00 0.00 1.00 0.00 0.00 33.01 30.88 3ix0 s GLN 33 CO -0.09 0.77 0.00 0.25 -2.12 0.00 0.00 175.29 174.10 3ix0 n THR 34 N 1.90 0.00 -0.73 -0.19 -2.24 -0.33 -4.99 114.28 107.70 3ix0 n THR 34 Ca -0.19 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.67 3ix0 n THR 34 Cb 0.55 -1.63 0.36 0.00 -2.10 0.00 0.00 70.33 67.51 3ix0 n THR 34 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ix0 n ASP 35 N -2.72 4.99 -2.68 3.42 8.00 -1.26 -4.28 116.55 122.01 3ix0 n ASP 35 Ca 0.00 -2.63 -0.07 0.00 0.71 0.00 0.00 54.79 52.80 3ix0 n ASP 35 Cb 0.00 -0.60 0.04 0.00 -0.02 0.00 0.00 41.12 40.53 3ix0 n ASP 35 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3ix0 n ASN 36 N 0.85 2.01 -3.62 -2.24 6.94 -1.26 -4.99 115.26 112.94 3ix0 n ASN 36 Ca 0.26 -2.51 -0.22 0.00 -0.02 0.00 0.00 54.58 52.09 3ix0 n ASN 36 Cb 0.98 -0.48 0.06 0.00 -2.36 0.00 0.00 39.78 37.98 3ix0 n ASN 36 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ix0 s GLU 38 N -5.96 1.14 -0.18 0.00 2.02 -1.26 -0.69 118.70 113.77 3ix0 s GLU 38 Ca 0.25 -1.28 -0.02 0.00 0.02 0.00 0.00 54.97 53.95 3ix0 s GLU 38 Cb -0.12 -1.18 -0.01 0.00 0.10 0.00 0.00 34.13 32.93 3ix0 s GLU 38 CO 0.77 0.25 -0.10 -0.08 0.02 0.00 0.00 175.26 176.11 3ix0 s THR 39 N -1.84 3.03 0.12 3.63 -1.32 0.21 -1.19 115.64 118.29 3ix0 s THR 39 Ca 0.11 -0.63 0.09 0.00 -1.21 0.00 0.00 61.69 60.04 3ix0 s THR 39 Cb -0.07 -2.32 -0.04 0.00 -1.51 0.00 0.00 72.50 68.56 3ix0 s THR 39 CO 0.05 0.48 -0.16 0.00 -2.21 0.00 0.00 174.62 172.78 3ix0 s THR 41 N -1.23 0.86 -0.26 0.00 2.01 0.33 -1.44 115.64 115.92 3ix0 s THR 41 Ca 0.19 -0.36 -0.14 0.00 0.31 0.00 0.00 61.69 61.69 3ix0 s THR 41 Cb -0.10 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 3ix0 s THR 41 CO 0.11 0.28 0.32 0.00 -0.69 0.00 0.00 174.62 174.64 3ix0 s TYR 43 N 1.74 2.33 0.18 0.00 1.51 0.62 -0.07 117.35 123.66 3ix0 s TYR 43 Ca 0.13 -0.45 -0.22 0.00 -1.01 0.00 0.00 57.07 55.51 3ix0 s TYR 43 Cb -0.15 -1.23 0.08 0.00 -0.11 0.00 0.00 41.96 40.54 3ix0 s TYR 43 CO 0.09 0.61 1.42 -1.91 -1.11 0.00 0.00 175.55 174.65 3ix0 n GLU 44 N -0.72 -0.31 0.00 -0.62 4.07 -1.26 -2.75 120.64 119.05 3ix0 n GLU 44 Ca -0.05 1.40 0.06 0.00 -0.06 0.00 0.00 57.16 58.52 3ix0 n GLU 44 Cb 0.62 -2.07 0.04 0.00 -0.06 0.00 0.00 31.44 29.97 3ix0 n GLU 44 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3ix0 n THR 45 N -5.25 0.00 -3.62 6.31 -2.24 -1.26 -4.72 114.28 103.50 3ix0 n THR 45 Ca 0.06 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 3ix0 n THR 45 Cb 0.30 1.24 -0.04 0.00 -2.10 0.00 0.00 70.33 69.74 3ix0 n THR 45 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3ix0 s GLU 46 N -1.22 1.18 -0.06 -0.78 -1.05 -1.11 -2.00 118.70 113.65 3ix0 s GLU 46 Ca 0.14 -0.70 0.04 0.00 -0.15 0.00 0.00 54.97 54.30 3ix0 s GLU 46 Cb 0.11 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.30 3ix0 s GLU 46 CO 0.20 -0.48 -0.18 0.42 0.95 0.00 0.00 175.26 176.17 3ix0 s ILE 47 N -3.81 1.54 0.01 1.83 1.01 0.47 -0.28 121.20 121.98 3ix0 s ILE 47 Ca 0.04 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 60.02 3ix0 s ILE 47 Cb 0.01 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 3ix0 s ILE 47 CO -0.10 0.44 -0.22 -0.94 0.00 0.00 0.00 174.94 174.12 3ix0 s SER 48 N 0.27 3.47 -0.04 3.58 1.04 -0.89 -0.98 113.70 120.16 3ix0 s SER 48 Ca -0.10 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 55.91 3ix0 s SER 48 Cb -0.14 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.49 3ix0 s SER 48 CO 0.04 0.29 -0.13 0.00 0.98 0.00 0.00 173.24 174.42 3ix0 s THR 51 N -0.62 3.30 -1.78 0.00 -1.32 -0.89 -0.62 115.64 113.71 3ix0 s THR 51 Ca 0.06 1.08 0.26 0.00 -1.21 0.00 0.00 61.69 61.88 3ix0 s THR 51 Cb -0.08 -3.60 0.27 0.00 -1.51 0.00 0.00 72.50 67.58 3ix0 s THR 51 CO 0.01 0.09 1.56 0.18 -2.21 0.00 0.00 174.62 174.25 3ix0 n LEU 52 N 0.13 1.05 -4.63 9.08 4.77 0.14 -4.68 117.00 122.85 3ix0 n LEU 52 Ca 0.04 -0.27 -0.40 0.00 -0.03 0.00 0.00 56.01 55.34 3ix0 n LEU 52 Cb 0.47 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 3ix0 n LEU 52 CO 0.50 0.20 0.34 -0.69 -1.33 0.00 0.00 177.39 176.40 3ix0 s VAL 53 N -2.49 5.02 -0.27 4.08 1.01 -1.26 -4.94 120.40 121.55 3ix0 s VAL 53 Ca 0.25 1.06 -0.22 0.00 0.00 0.00 0.00 61.98 63.07 3ix0 s VAL 53 Cb 0.19 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 3ix0 s VAL 53 CO 0.52 0.07 0.70 -0.55 0.00 0.00 0.00 175.10 175.84 3ix0 s SER 54 N 1.41 6.63 -0.30 3.32 0.15 -1.26 -4.67 113.70 118.99 3ix0 s SER 54 Ca 0.25 0.72 -0.17 0.00 0.70 0.00 0.00 55.95 57.45 3ix0 s SER 54 Cb -0.16 -2.37 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 3ix0 s SER 54 CO 0.09 -0.47 0.46 -0.89 1.20 0.00 0.00 173.24 173.63 3ix0 s THR 55 N 2.68 5.09 0.13 6.45 2.01 0.16 -4.40 115.64 127.77 3ix0 s THR 55 Ca 0.29 0.55 -0.31 0.00 0.31 0.00 0.00 61.69 62.54 3ix0 s THR 55 Cb -0.15 -3.83 -0.07 0.00 0.01 0.00 0.00 72.50 68.45 3ix0 s THR 55 CO 0.10 -0.00 1.28 -2.16 -0.69 0.00 0.00 174.62 173.14 3ix0 s PRO 56 N 2.25 4.40 0.00 4.92 0.04 -1.26 -0.42 135.00 144.92 3ix0 s PRO 56 Ca 0.18 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.16 3ix0 s PRO 56 Cb -0.16 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.12 3ix0 s PRO 56 CO 0.11 -0.28 0.00 1.33 0.04 0.00 0.00 177.00 178.20 3ix0 n VAL 57 N 3.39 0.00 -3.97 -0.36 0.24 0.52 -4.93 118.33 113.21 3ix0 n VAL 57 Ca 0.08 -0.15 -0.33 0.00 -2.04 0.00 0.00 64.34 61.90 3ix0 n VAL 57 Cb 0.44 0.64 -0.14 0.00 -1.47 0.00 0.00 33.84 33.31 3ix0 n VAL 57 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ix0 s GLY 58 N -0.97 1.82 0.12 7.63 0.00 -0.53 -4.94 107.32 110.45 3ix0 s GLY 58 Ca 0.00 -2.11 -0.25 0.00 0.00 0.00 0.00 44.72 42.36 3ix0 s GLY 58 CO 0.00 0.79 1.08 -2.52 0.00 0.00 0.00 173.10 172.45 3ix0 s TYR 59 N 1.09 -0.03 -0.73 1.90 -0.85 -1.26 -0.26 117.35 117.21 3ix0 s TYR 59 Ca 0.00 -0.26 -0.26 0.00 -0.52 0.00 0.00 57.07 56.03 3ix0 s TYR 59 Cb -0.20 0.64 -0.01 0.00 0.38 0.00 0.00 41.96 42.77 3ix0 s TYR 59 CO -0.05 -0.72 1.72 0.34 -1.52 0.00 0.00 175.55 175.33 3ix0 s ASP 60 N -3.19 5.53 0.44 -0.18 -1.08 -1.26 -4.84 116.67 112.10 3ix0 s ASP 60 Ca 0.17 -0.19 0.29 0.00 -0.52 0.00 0.00 52.55 52.31 3ix0 s ASP 60 Cb -0.01 -2.55 1.03 0.00 -1.46 0.00 0.00 42.92 39.94 3ix0 s ASP 60 CO 0.02 -2.27 1.84 0.11 0.52 0.00 0.00 175.17 175.39 3ix0 h LYS 61 N 12.75 0.00 0.09 4.34 1.57 -1.99 -0.29 116.57 133.03 3ix0 h LYS 61 Ca -0.15 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3ix0 h LYS 61 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3ix0 h LYS 61 CO 1.25 0.00 -0.05 -0.44 -0.57 0.00 0.00 179.45 179.64 3ix0 h ASP 62 N 0.00 -0.11 0.00 0.86 3.32 -2.03 -3.37 116.42 115.09 3ix0 h ASP 62 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3ix0 h ASP 62 Cb 0.61 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3ix0 h ASP 62 CO 0.00 0.32 -1.01 0.59 -1.72 0.00 0.00 179.24 177.42 3ix0 n ASN 63 N -4.95 0.98 -4.25 6.45 3.02 -1.16 -4.94 115.26 110.42 3ix0 n ASN 63 Ca -0.09 -0.99 -0.18 0.00 -0.03 0.00 0.00 54.58 53.30 3ix0 n ASN 63 Cb 0.24 1.01 -0.11 0.00 -0.61 0.00 0.00 39.78 40.31 3ix0 n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ix0 s GLN 65 N -2.70 0.72 -0.11 0.00 -2.07 0.28 -4.43 119.66 111.36 3ix0 s GLN 65 Ca 0.10 -1.10 -0.06 0.00 -1.82 0.00 0.00 55.36 52.47 3ix0 s GLN 65 Cb -0.05 -0.27 -0.04 0.00 -1.09 0.00 0.00 33.01 31.56 3ix0 s GLN 65 CO 0.03 0.02 0.14 -0.98 -1.32 0.00 0.00 175.29 173.18 3ix0 s ARG 66 N -2.88 3.42 -0.07 9.60 1.70 -1.26 -1.10 118.95 128.37 3ix0 s ARG 66 Ca 0.03 -0.16 0.01 0.00 -0.47 0.00 0.00 55.73 55.15 3ix0 s ARG 66 Cb -0.01 -3.17 0.02 0.00 -0.57 0.00 0.00 34.95 31.22 3ix0 s ARG 66 CO -0.02 0.77 -0.09 0.42 -1.08 0.00 0.00 175.30 175.29 3ix0 s ILE 67 N -1.05 0.93 0.03 4.99 1.01 -0.05 -4.98 121.20 122.07 3ix0 s ILE 67 Ca 0.16 -0.34 -0.26 0.00 0.00 0.00 0.00 60.65 60.21 3ix0 s ILE 67 Cb -0.12 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 3ix0 s ILE 67 CO 0.05 0.32 0.83 0.12 0.00 0.00 0.00 174.94 176.26 3ix0 s PHE 68 N 0.91 3.71 -0.50 3.97 5.36 -1.26 -1.22 117.98 128.94 3ix0 s PHE 68 Ca -0.10 1.53 -0.03 0.00 -0.96 0.00 0.00 56.93 57.37 3ix0 s PHE 68 Cb -0.15 -2.91 0.13 0.00 -0.34 0.00 0.00 43.02 39.75 3ix0 s PHE 68 CO 0.01 0.18 0.30 0.15 -1.46 0.00 0.00 175.22 174.40 3ix0 s LYS 69 N 0.31 2.24 0.15 10.12 -0.14 0.15 -4.97 119.74 127.60 3ix0 s LYS 69 Ca 0.42 -2.14 -0.17 0.00 -1.36 0.00 0.00 55.97 52.72 3ix0 s LYS 69 Cb -0.21 -3.64 0.06 0.00 -1.68 0.00 0.00 37.83 32.37 3ix0 s LYS 69 CO 0.24 -1.12 1.69 -0.22 -0.76 0.00 0.00 175.35 175.19 3ix0 h LYS 70 N 7.58 0.05 -0.18 1.68 3.64 -1.96 -1.17 116.57 126.21 3ix0 h LYS 70 Ca -0.08 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3ix0 h LYS 70 Cb 1.00 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3ix0 h LYS 70 CO 0.71 0.03 0.20 1.05 -2.27 0.00 0.00 179.45 179.16 3ix0 h GLU 71 N 0.05 0.00 -0.30 1.90 9.09 -1.94 0.21 114.58 123.58 3ix0 h GLU 71 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.57 3ix0 h GLU 71 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.34 3ix0 h GLU 71 CO -0.31 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.50 3ix0 n ASP 72 N -3.81 2.79 -4.22 3.06 8.00 -0.55 -4.98 116.55 116.84 3ix0 n ASP 72 Ca 0.01 -1.92 -0.32 0.00 0.71 0.00 0.00 54.79 53.28 3ix0 n ASP 72 Cb 0.32 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 3ix0 n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ix0 s LYS 74 N -7.00 1.44 0.07 0.00 -2.85 -1.07 -4.38 119.74 105.94 3ix0 s LYS 74 Ca 0.30 -1.18 0.02 0.00 -1.00 0.00 0.00 55.97 54.11 3ix0 s LYS 74 Cb -0.17 0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 3ix0 s LYS 74 CO 0.95 -0.59 0.13 0.71 0.10 0.00 0.00 175.35 176.66 3ix0 s TYR 75 N -3.99 3.33 0.22 1.78 1.51 -1.26 0.31 117.35 119.26 3ix0 s TYR 75 Ca 0.19 0.15 0.08 0.00 -1.01 0.00 0.00 57.07 56.49 3ix0 s TYR 75 Cb 0.00 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 3ix0 s TYR 75 CO 0.05 0.55 0.04 0.96 -1.11 0.00 0.00 175.55 176.04 3ix0 s ILE 76 N -1.42 3.78 -0.12 2.71 -4.36 -0.36 -4.94 121.20 116.48 3ix0 s ILE 76 Ca 0.31 -1.60 -0.01 0.00 -0.26 0.00 0.00 60.65 59.10 3ix0 s ILE 76 Cb -0.12 -2.97 0.03 0.00 1.25 0.00 0.00 42.46 40.64 3ix0 s ILE 76 CO 0.24 -0.26 -0.06 -0.69 0.24 0.00 0.00 174.94 174.41 3ix0 s VAL 77 N -2.03 0.97 0.09 8.37 1.01 -1.26 -0.87 120.40 126.67 3ix0 s VAL 77 Ca 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 3ix0 s VAL 77 Cb -0.08 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3ix0 s VAL 77 CO 0.20 0.29 0.02 0.68 0.00 0.00 0.00 175.10 176.29 3ix0 s VAL 78 N 1.72 0.16 0.21 2.92 -7.23 -0.26 -1.28 120.40 116.64 3ix0 s VAL 78 Ca 0.04 -1.85 -0.30 0.00 -1.81 0.00 0.00 61.98 58.06 3ix0 s VAL 78 Cb -0.13 -1.77 -0.09 0.00 0.56 0.00 0.00 36.38 34.95 3ix0 s VAL 78 CO -0.08 -0.73 1.33 -1.61 -0.31 0.00 0.00 175.10 173.70 3ix0 s GLU 79 N -3.98 4.37 0.19 4.82 2.02 0.35 -0.55 118.70 125.91 3ix0 s GLU 79 Ca 0.15 2.10 -0.12 0.00 0.02 0.00 0.00 54.97 57.12 3ix0 s GLU 79 Cb 0.08 -3.18 0.16 0.00 0.10 0.00 0.00 34.13 31.29 3ix0 s GLU 79 CO -0.04 -0.28 1.81 0.87 0.02 0.00 0.00 175.26 177.63 3ix0 h LYS 80 N 5.33 0.61 0.00 1.61 1.57 -1.18 -1.92 116.57 122.60 3ix0 h LYS 80 Ca -0.45 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3ix0 h LYS 80 Cb 1.21 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3ix0 h LYS 80 CO 0.77 0.40 0.00 0.36 -0.57 0.00 0.00 179.45 180.42 3ix0 n LYS 81 N -4.80 0.02 -2.90 3.15 2.85 -1.26 -4.44 118.16 110.77 3ix0 n LYS 81 Ca 0.06 0.19 0.02 0.00 -1.05 0.00 0.00 58.31 57.52 3ix0 n LYS 81 Cb 0.12 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 3ix0 n LYS 81 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3ix0 s ASP 82 N -3.10 -0.69 0.00 -5.58 2.15 -0.94 -5.02 116.67 103.48 3ix0 s ASP 82 Ca 0.09 -0.34 0.02 0.00 0.43 0.00 0.00 52.55 52.75 3ix0 s ASP 82 Cb 0.12 0.89 0.13 0.00 -0.30 0.00 0.00 42.92 43.76 3ix0 s ASP 82 CO 0.36 -0.08 0.71 -2.65 -0.17 0.00 0.00 175.17 173.33 3ix0 n PRO 83 N 3.93 0.06 0.00 4.34 -0.02 -0.76 -0.01 135.00 142.54 3ix0 n PRO 83 Ca 0.07 0.08 0.14 0.00 -2.02 0.00 0.00 63.50 61.77 3ix0 n PRO 83 Cb 0.61 -1.50 0.55 0.00 -0.02 0.00 0.00 33.50 33.14 3ix0 n PRO 83 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ix0 n LYS 84 N -1.09 0.29 -3.93 -0.52 5.02 -1.26 -4.72 118.16 111.94 3ix0 n LYS 84 Ca 0.02 -0.09 -0.35 0.00 -2.02 0.00 0.00 58.31 55.87 3ix0 n LYS 84 Cb 0.01 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.44 3ix0 n LYS 84 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3ix0 s LYS 85 N -2.77 3.92 0.08 1.97 -0.14 0.99 -5.03 119.74 118.76 3ix0 s LYS 85 Ca 0.20 -0.29 -0.13 0.00 -1.36 0.00 0.00 55.97 54.40 3ix0 s LYS 85 Cb 0.19 -3.25 -0.06 0.00 -1.68 0.00 0.00 37.83 33.03 3ix0 s LYS 85 CO 0.54 0.37 0.45 0.99 -0.76 0.00 0.00 175.35 176.94 3ix0 s THR 86 N 0.13 5.00 0.35 2.17 2.01 -1.26 -0.50 115.64 123.54 3ix0 s THR 86 Ca 0.06 0.67 0.07 0.00 0.31 0.00 0.00 61.69 62.81 3ix0 s THR 86 Cb -0.12 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 3ix0 s THR 86 CO 0.00 0.36 0.38 0.00 -0.69 0.00 0.00 174.62 174.67 3ix0 s SER 88 N -4.09 6.85 -0.21 0.00 1.04 -1.26 -4.86 113.70 111.17 3ix0 s SER 88 Ca 0.44 1.05 -0.02 0.00 0.48 0.00 0.00 55.95 57.89 3ix0 s SER 88 Cb -0.07 -2.28 -0.00 0.00 0.10 0.00 0.00 66.02 63.77 3ix0 s SER 88 CO 0.29 0.23 -0.09 -0.69 0.98 0.00 0.00 173.24 173.96 3ix0 s VAL 89 N -1.25 3.01 -0.39 5.02 1.01 -1.26 -4.60 120.40 121.95 3ix0 s VAL 89 Ca 0.30 -0.62 0.23 0.00 0.00 0.00 0.00 61.98 61.90 3ix0 s VAL 89 Cb -0.16 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 33.91 3ix0 s VAL 89 CO 0.17 0.46 1.18 0.77 0.00 0.00 0.00 175.10 177.68 3ix0 h SER 90 N 8.00 0.00 -2.98 3.32 4.64 -1.04 -3.46 113.55 122.03 3ix0 h SER 90 Ca -0.42 -0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 60.67 3ix0 h SER 90 Cb 1.16 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.96 3ix0 h SER 90 CO 0.61 0.04 -0.41 -0.70 -0.87 0.00 0.00 176.83 175.50 3ix0 s GLU 91 N -3.29 0.28 0.15 4.77 2.12 -1.18 -4.93 118.70 116.62 3ix0 s GLU 91 Ca 0.02 0.79 0.07 0.00 0.36 0.00 0.00 54.97 56.22 3ix0 s GLU 91 Cb 0.10 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.50 3ix0 s GLU 91 CO 0.76 -0.21 -0.04 -1.58 -0.54 0.00 0.00 175.26 173.65 3ix0 s TRP 92 N 1.94 2.79 0.00 5.30 0.52 -1.26 -0.35 118.94 127.88 3ix0 s TRP 92 Ca -0.05 -0.15 0.03 0.00 0.02 0.00 0.00 56.10 55.95 3ix0 s TRP 92 Cb -0.11 -1.38 -0.01 0.00 -1.15 0.00 0.00 33.47 30.82 3ix0 s TRP 92 CO -0.11 0.50 -0.09 0.42 0.02 0.00 0.00 176.95 177.69 3ix0 s ILE 93 N -1.59 0.67 0.00 2.03 1.01 0.44 -4.91 121.20 118.86 3ix0 s ILE 93 Ca 0.26 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.41 3ix0 s ILE 93 Cb -0.10 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.78 3ix0 s ILE 93 CO 0.17 0.10 0.00 0.00 0.00 0.00 0.00 174.94 175.21