#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 -1.66 2.83 -0.09 0.00 -0.85 0.22 -4.96 117.35 112.83 3ix0 s TYR 3 Ca -0.06 -0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 3ix0 s TYR 3 Cb -0.08 -1.41 0.02 0.00 0.38 0.00 0.00 41.96 40.87 3ix0 s TYR 3 CO 0.00 0.49 -0.07 -0.06 -1.52 0.00 0.00 175.55 174.39 3ix0 s PHE 4 N -1.54 1.30 0.14 -3.49 0.40 -1.26 -1.30 117.98 112.23 3ix0 s PHE 4 Ca 0.26 -0.56 0.05 0.00 -0.60 0.00 0.00 56.93 56.07 3ix0 s PHE 4 Cb -0.10 -1.08 -0.04 0.00 0.51 0.00 0.00 43.02 42.31 3ix0 s PHE 4 CO 0.17 -0.40 -0.11 0.96 0.70 0.00 0.00 175.22 176.54 3ix0 s ILE 5 N 1.41 1.19 0.28 0.64 -4.36 0.74 -4.97 121.20 116.13 3ix0 s ILE 5 Ca -0.01 -1.95 -0.29 0.00 -0.26 0.00 0.00 60.65 58.13 3ix0 s ILE 5 Cb -0.13 -1.73 -0.10 0.00 1.25 0.00 0.00 42.46 41.74 3ix0 s ILE 5 CO -0.04 -0.66 1.42 -2.84 0.24 0.00 0.00 174.94 173.06 3ix0 s PRO 6 N -3.44 4.26 -0.54 0.37 0.02 -1.26 0.77 135.00 135.18 3ix0 s PRO 6 Ca 0.14 2.33 -0.23 0.00 0.02 0.00 0.00 61.00 63.26 3ix0 s PRO 6 Cb 0.00 -3.08 0.05 0.00 0.02 0.00 0.00 34.50 31.49 3ix0 s PRO 6 CO 0.01 -0.39 0.85 1.21 -0.33 0.00 0.00 177.00 178.35 3ix0 s ASN 7 N 0.12 6.30 0.00 2.53 2.47 -0.45 -4.58 114.94 121.34 3ix0 s ASN 7 Ca 0.56 -0.52 0.27 0.00 0.42 0.00 0.00 52.86 53.60 3ix0 s ASN 7 Cb -0.42 -2.39 0.95 0.00 -1.45 0.00 0.00 41.25 37.94 3ix0 s ASN 7 CO 0.48 -1.12 1.72 -0.62 -3.72 0.00 0.00 177.10 173.84 3ix0 n GLU 8 N 7.07 0.02 -0.10 0.43 -0.58 -1.26 -4.76 120.64 121.46 3ix0 n GLU 8 Ca -0.01 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3ix0 n GLU 8 Cb 0.47 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.84 3ix0 n GLU 8 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ix0 n GLY 9 N 1.49 -2.80 0.05 0.62 0.00 -1.26 -5.17 105.19 98.11 3ix0 n GLY 9 Ca 0.07 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3ix0 n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ix0 n LYS 17 N -1.77 0.00 -4.23 1.61 5.02 -1.26 -4.96 118.16 112.56 3ix0 n LYS 17 Ca -0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.15 3ix0 n LYS 17 Cb 0.03 -0.05 -0.10 0.00 -0.02 0.00 0.00 35.03 34.90 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 -3.82 1.65 0.67 0.00 1.75 -1.26 0.83 119.30 119.12 3ix0 s MET 19 Ca 0.18 -0.69 0.05 0.00 -1.25 0.00 0.00 55.69 53.98 3ix0 s MET 19 Cb 0.04 -1.55 0.12 0.00 2.84 0.00 0.00 34.83 36.28 3ix0 s MET 19 CO 0.01 0.39 0.92 0.16 -0.65 0.00 0.00 175.02 175.84 3ix0 s ASP 20 N -0.36 4.62 0.44 1.11 3.84 -0.53 -4.98 116.67 120.82 3ix0 s ASP 20 Ca 0.05 -0.68 0.12 0.00 -0.00 0.00 0.00 52.55 52.04 3ix0 s ASP 20 Cb -0.08 0.29 1.02 0.00 -1.38 0.00 0.00 42.92 42.77 3ix0 s ASP 20 CO -0.00 -1.69 2.03 -0.07 -0.00 0.00 0.00 175.17 175.44 3ix0 h LEU 21 N -0.24 0.33 -1.67 2.11 3.38 -2.01 -2.30 115.31 114.91 3ix0 h LEU 21 Ca -0.32 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3ix0 h LEU 21 Cb 1.28 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3ix0 h LEU 21 CO 0.39 0.22 0.00 1.17 0.09 0.00 0.00 178.44 180.31 3ix0 n LYS 22 N -4.48 2.23 0.00 1.13 4.81 -1.26 -4.91 118.16 115.68 3ix0 n LYS 22 Ca 0.06 -1.41 0.00 0.00 -0.87 0.00 0.00 58.31 56.09 3ix0 n LYS 22 Cb 0.23 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.79 3ix0 n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ix0 n GLY 23 N 0.82 2.74 3.60 3.14 0.00 -0.86 -5.01 105.19 109.62 3ix0 n GLY 23 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3ix0 n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ix0 n ASN 24 N 0.53 1.35 -4.90 1.61 3.02 -1.26 -4.63 115.26 110.98 3ix0 n ASN 24 Ca 0.00 1.11 -0.33 0.00 -0.03 0.00 0.00 54.58 55.34 3ix0 n ASN 24 Cb 0.00 -1.33 -0.05 0.00 -0.61 0.00 0.00 39.78 37.79 3ix0 n ASN 24 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3ix0 s LYS 25 N -1.78 3.41 -0.00 3.52 1.02 -1.26 -1.45 119.74 123.21 3ix0 s LYS 25 Ca 0.60 -0.36 0.03 0.00 0.02 0.00 0.00 55.97 56.26 3ix0 s LYS 25 Cb -0.62 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 33.61 3ix0 s LYS 25 CO 0.59 0.66 -0.10 -1.01 -0.92 0.00 0.00 175.35 174.57 3ix0 s HIS 26 N -1.36 0.87 0.32 3.18 3.76 0.24 -4.95 115.29 117.35 3ix0 s HIS 26 Ca 0.29 -0.19 -0.29 0.00 -0.15 0.00 0.00 55.06 54.72 3ix0 s HIS 26 Cb -0.13 -0.55 -0.11 0.00 1.11 0.00 0.00 32.58 32.90 3ix0 s HIS 26 CO 0.21 -0.01 1.48 -1.25 -0.85 0.00 0.00 174.74 174.31 3ix0 s PRO 27 N -0.38 4.18 0.76 8.40 0.04 -1.26 -0.29 135.00 146.46 3ix0 s PRO 27 Ca 0.03 2.46 -0.15 0.00 0.04 0.00 0.00 61.00 63.38 3ix0 s PRO 27 Cb -0.04 -3.03 0.05 0.00 0.04 0.00 0.00 34.50 31.52 3ix0 s PRO 27 CO -0.00 -0.48 1.17 -0.89 0.04 0.00 0.00 177.00 176.84 3ix0 n ILE 28 N 1.31 2.75 -0.90 0.56 5.41 -1.26 -2.16 119.36 125.06 3ix0 n ILE 28 Ca 0.04 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.49 3ix0 n ILE 28 Cb 0.39 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.09 3ix0 n ILE 28 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3ix0 n ASN 29 N -2.68 -3.51 -4.90 4.38 3.02 0.25 -4.98 115.26 106.84 3ix0 n ASN 29 Ca 0.14 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.38 3ix0 n ASN 29 Cb 0.50 -2.27 -0.04 0.00 -0.61 0.00 0.00 39.78 37.36 3ix0 n ASN 29 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3ix0 s SER 30 N -2.10 6.47 0.06 6.41 0.01 -0.92 -4.92 113.70 118.71 3ix0 s SER 30 Ca 0.00 0.56 0.03 0.00 1.31 0.00 0.00 55.95 57.85 3ix0 s SER 30 Cb 0.00 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 3ix0 s SER 30 CO 0.00 0.04 0.03 -0.70 0.41 0.00 0.00 173.24 173.02 3ix0 s GLU 31 N -2.74 2.73 0.03 12.44 -6.30 -1.26 -2.50 118.70 121.10 3ix0 s GLU 31 Ca 0.41 -0.72 -0.11 0.00 -2.50 0.00 0.00 54.97 52.04 3ix0 s GLU 31 Cb -0.12 -2.64 0.01 0.00 0.00 0.00 0.00 34.13 31.38 3ix0 s GLU 31 CO 0.25 0.57 0.24 1.67 0.02 0.00 0.00 175.26 178.02 3ix0 s TRP 32 N -1.27 -0.03 -0.17 5.30 -2.14 -0.27 -4.98 118.94 115.38 3ix0 s TRP 32 Ca 0.25 -0.11 -0.08 0.00 2.66 0.00 0.00 56.10 58.82 3ix0 s TRP 32 Cb -0.12 0.02 -0.04 0.00 -3.10 0.00 0.00 33.47 30.23 3ix0 s TRP 32 CO 0.17 -0.43 0.10 -1.14 -2.66 0.00 0.00 176.95 172.99 3ix0 s GLN 33 N -2.27 3.87 0.58 3.25 0.74 -1.26 -0.82 119.66 123.75 3ix0 s GLN 33 Ca -0.07 -0.25 -0.09 0.00 0.05 0.00 0.00 55.36 54.99 3ix0 s GLN 33 Cb -0.02 -3.26 0.13 0.00 1.10 0.00 0.00 33.01 30.97 3ix0 s GLN 33 CO -0.02 0.43 0.79 0.25 -0.55 0.00 0.00 175.29 176.19 3ix0 n THR 34 N 3.08 0.00 0.89 -0.34 -2.24 0.42 -4.93 114.28 111.17 3ix0 n THR 34 Ca -0.17 -0.63 0.11 0.00 -2.27 0.00 0.00 64.05 61.09 3ix0 n THR 34 Cb 0.53 -1.65 0.52 0.00 -2.10 0.00 0.00 70.33 67.63 3ix0 n THR 34 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ix0 n ASP 35 N -3.48 0.00 -0.58 3.42 5.75 -1.26 -3.99 116.55 116.41 3ix0 n ASP 35 Ca 0.10 0.29 0.06 0.00 -0.01 0.00 0.00 54.79 55.24 3ix0 n ASP 35 Cb 0.35 -0.42 0.19 0.00 -1.03 0.00 0.00 41.12 40.22 3ix0 n ASP 35 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3ix0 n ASN 36 N -1.42 1.74 -3.78 -1.12 5.15 -1.26 -4.95 115.26 109.62 3ix0 n ASN 36 Ca 0.08 -3.74 -0.26 0.00 -0.60 0.00 0.00 54.58 50.05 3ix0 n ASN 36 Cb 0.23 -0.51 0.04 0.00 -0.53 0.00 0.00 39.78 39.01 3ix0 n ASN 36 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ix0 s GLU 38 N -6.31 1.31 -0.17 0.00 2.02 -1.26 -1.26 118.70 113.04 3ix0 s GLU 38 Ca 0.41 -1.09 -0.03 0.00 0.02 0.00 0.00 54.97 54.28 3ix0 s GLU 38 Cb -0.20 -1.54 -0.02 0.00 0.10 0.00 0.00 34.13 32.48 3ix0 s GLU 38 CO 0.80 0.38 -0.06 -0.08 0.02 0.00 0.00 175.26 176.32 3ix0 s THR 39 N -0.98 3.56 0.12 3.63 -1.32 0.27 -0.43 115.64 120.49 3ix0 s THR 39 Ca 0.08 -0.46 0.10 0.00 -1.21 0.00 0.00 61.69 60.20 3ix0 s THR 39 Cb -0.10 -2.57 -0.04 0.00 -1.51 0.00 0.00 72.50 68.29 3ix0 s THR 39 CO 0.03 0.47 -0.24 0.00 -2.21 0.00 0.00 174.62 172.67 3ix0 s THR 41 N -1.13 0.74 -0.25 0.00 2.01 -0.05 -1.11 115.64 115.84 3ix0 s THR 41 Ca 0.11 -0.36 -0.09 0.00 0.31 0.00 0.00 61.69 61.66 3ix0 s THR 41 Cb -0.10 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 3ix0 s THR 41 CO 0.05 0.23 0.13 0.00 -0.69 0.00 0.00 174.62 174.34 3ix0 s TYR 43 N 1.51 3.28 0.28 0.00 1.51 0.53 0.88 117.35 125.34 3ix0 s TYR 43 Ca 0.06 -0.11 0.01 0.00 -1.01 0.00 0.00 57.07 56.03 3ix0 s TYR 43 Cb -0.15 -1.80 0.64 0.00 -0.11 0.00 0.00 41.96 40.54 3ix0 s TYR 43 CO 0.06 0.20 1.71 1.49 -1.11 0.00 0.00 175.55 177.90 3ix0 h GLU 44 N 1.01 0.43 0.00 -0.62 4.57 -1.97 -3.03 114.58 114.97 3ix0 h GLU 44 Ca -0.49 -0.03 -0.29 0.00 -1.18 0.00 0.00 59.36 57.38 3ix0 h GLU 44 Cb 1.24 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.68 3ix0 h GLU 44 CO 0.57 0.28 -1.94 -2.37 -1.18 0.00 0.00 179.01 174.38 3ix0 n THR 45 N -5.01 1.39 -3.94 0.32 5.66 -1.26 -4.80 114.28 106.64 3ix0 n THR 45 Ca 0.20 -0.79 -0.09 0.00 -3.05 0.00 0.00 64.05 60.31 3ix0 n THR 45 Cb 0.57 -0.73 -0.07 0.00 -1.55 0.00 0.00 70.33 68.55 3ix0 n THR 45 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 3ix0 s GLU 46 N -2.65 1.01 -0.08 1.09 -1.05 -1.14 -1.34 118.70 114.54 3ix0 s GLU 46 Ca -0.07 -1.12 0.03 0.00 -0.15 0.00 0.00 54.97 53.67 3ix0 s GLU 46 Cb 0.08 0.35 -0.02 0.00 -0.44 0.00 0.00 34.13 34.10 3ix0 s GLU 46 CO 0.83 -0.35 -0.18 0.42 0.95 0.00 0.00 175.26 176.93 3ix0 s ILE 47 N -3.93 2.65 -0.04 1.83 1.01 0.23 -0.34 121.20 122.61 3ix0 s ILE 47 Ca 0.13 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.97 3ix0 s ILE 47 Cb 0.04 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.47 3ix0 s ILE 47 CO -0.04 0.56 -0.11 -0.55 0.00 0.00 0.00 174.94 174.80 3ix0 s SER 48 N -0.09 1.50 -0.02 3.58 0.15 -0.65 -0.18 113.70 117.98 3ix0 s SER 48 Ca -0.04 -0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.39 3ix0 s SER 48 Cb -0.14 -0.47 0.01 0.00 -1.71 0.00 0.00 66.02 63.71 3ix0 s SER 48 CO 0.04 0.07 -0.07 0.00 1.20 0.00 0.00 173.24 174.48 3ix0 s THR 51 N -1.11 3.75 -1.79 0.00 -1.32 -0.69 -0.56 115.64 113.92 3ix0 s THR 51 Ca -0.01 1.49 0.27 0.00 -1.21 0.00 0.00 61.69 62.22 3ix0 s THR 51 Cb -0.09 -3.84 0.31 0.00 -1.51 0.00 0.00 72.50 67.36 3ix0 s THR 51 CO 0.02 0.15 1.61 0.18 -2.21 0.00 0.00 174.62 174.37 3ix0 n LEU 52 N 0.45 1.00 -4.60 9.08 4.77 -0.38 -4.54 117.00 122.78 3ix0 n LEU 52 Ca 0.02 -0.25 -0.40 0.00 -0.03 0.00 0.00 56.01 55.35 3ix0 n LEU 52 Cb 0.48 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 3ix0 n LEU 52 CO 0.48 0.19 0.23 -0.69 -1.33 0.00 0.00 177.39 176.26 3ix0 s VAL 53 N -2.47 5.06 -0.18 4.08 1.01 -1.26 -4.91 120.40 121.73 3ix0 s VAL 53 Ca 0.26 0.70 -0.27 0.00 0.00 0.00 0.00 61.98 62.66 3ix0 s VAL 53 Cb 0.19 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 3ix0 s VAL 53 CO 0.50 -0.00 0.93 -0.44 0.00 0.00 0.00 175.10 176.10 3ix0 s SER 54 N 1.62 7.06 -0.24 3.32 0.01 -1.26 -4.63 113.70 119.58 3ix0 s SER 54 Ca 0.20 1.31 -0.16 0.00 1.31 0.00 0.00 55.95 58.61 3ix0 s SER 54 Cb -0.16 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 3ix0 s SER 54 CO 0.11 -0.50 0.39 -0.89 0.41 0.00 0.00 173.24 172.76 3ix0 s THR 55 N 2.49 5.18 0.10 1.44 2.01 0.19 -4.44 115.64 122.62 3ix0 s THR 55 Ca 0.42 0.66 -0.30 0.00 0.31 0.00 0.00 61.69 62.78 3ix0 s THR 55 Cb -0.16 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.57 3ix0 s THR 55 CO 0.11 0.20 1.03 -2.16 -0.69 0.00 0.00 174.62 173.11 3ix0 s PRO 56 N 1.72 4.61 0.00 4.92 0.04 -1.26 0.18 135.00 145.21 3ix0 s PRO 56 Ca 0.17 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3ix0 s PRO 56 Cb -0.15 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.03 3ix0 s PRO 56 CO 0.09 0.07 0.00 1.33 0.04 0.00 0.00 177.00 178.53 3ix0 n VAL 57 N 3.00 0.00 -3.55 -0.36 0.24 -0.15 -4.94 118.33 112.57 3ix0 n VAL 57 Ca 0.04 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 3ix0 n VAL 57 Cb 0.48 0.36 -0.08 0.00 -1.47 0.00 0.00 33.84 33.13 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 -0.99 2.17 0.14 7.63 0.00 -0.97 -4.95 107.32 110.36 3ix0 s GLY 58 Ca 0.00 -2.73 -0.25 0.00 0.00 0.00 0.00 44.72 41.74 3ix0 s GLY 58 CO 0.00 1.13 0.96 -2.52 0.00 0.00 0.00 173.10 172.66 3ix0 s TYR 59 N 1.03 -0.15 -0.59 1.90 -0.85 -1.26 0.61 117.35 118.04 3ix0 s TYR 59 Ca 0.09 -0.15 -0.27 0.00 -0.52 0.00 0.00 57.07 56.22 3ix0 s TYR 59 Cb -0.24 0.63 -0.01 0.00 0.38 0.00 0.00 41.96 42.73 3ix0 s TYR 59 CO -0.02 -0.80 1.72 0.34 -1.52 0.00 0.00 175.55 175.27 3ix0 s ASP 60 N -2.91 5.56 0.00 -0.18 -1.08 -1.26 -4.85 116.67 111.96 3ix0 s ASP 60 Ca 0.12 0.33 0.27 0.00 -0.52 0.00 0.00 52.55 52.75 3ix0 s ASP 60 Cb -0.01 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.81 3ix0 s ASP 60 CO 0.01 -2.15 1.69 0.29 0.52 0.00 0.00 175.17 175.53 3ix0 n LYS 61 N 9.06 0.07 0.09 4.34 5.02 -1.26 -0.40 118.16 135.09 3ix0 n LYS 61 Ca 0.17 -0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.22 3ix0 n LYS 61 Cb 0.51 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.87 3ix0 n LYS 61 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3ix0 h ASP 62 N 0.07 0.64 0.25 4.39 3.32 -2.02 -3.38 116.42 119.68 3ix0 h ASP 62 Ca 0.00 -0.84 -0.07 0.00 0.02 0.00 0.00 57.03 56.15 3ix0 h ASP 62 Cb 0.49 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3ix0 h ASP 62 CO 0.00 1.69 -1.82 0.59 -1.72 0.00 0.00 179.24 177.98 3ix0 n ASN 63 N -3.60 0.23 -4.36 6.45 3.02 -1.23 -4.94 115.26 110.85 3ix0 n ASN 63 Ca -0.20 0.09 -0.22 0.00 -0.03 0.00 0.00 54.58 54.22 3ix0 n ASN 63 Cb 1.08 1.41 -0.11 0.00 -0.61 0.00 0.00 39.78 41.54 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 -2.98 0.44 -0.14 0.00 -2.07 0.20 -4.40 119.66 110.70 3ix0 s GLN 65 Ca 0.19 -0.85 -0.07 0.00 -1.82 0.00 0.00 55.36 52.81 3ix0 s GLN 65 Cb -0.05 0.11 -0.04 0.00 -1.09 0.00 0.00 33.01 31.93 3ix0 s GLN 65 CO 0.08 -0.06 0.11 -0.98 -1.32 0.00 0.00 175.29 173.12 3ix0 s ARG 66 N -2.36 3.61 -0.13 9.60 1.70 -1.26 -0.17 118.95 129.94 3ix0 s ARG 66 Ca -0.07 -0.20 -0.00 0.00 -0.47 0.00 0.00 55.73 54.98 3ix0 s ARG 66 Cb -0.04 -3.20 0.03 0.00 -0.57 0.00 0.00 34.95 31.17 3ix0 s ARG 66 CO -0.04 0.61 -0.08 0.42 -1.08 0.00 0.00 175.30 175.13 3ix0 s ILE 67 N -0.56 1.11 0.34 4.99 1.01 0.92 -4.96 121.20 124.04 3ix0 s ILE 67 Ca 0.12 -0.41 -0.28 0.00 0.00 0.00 0.00 60.65 60.09 3ix0 s ILE 67 Cb -0.12 -1.15 -0.09 0.00 0.01 0.00 0.00 42.46 41.11 3ix0 s ILE 67 CO 0.02 0.33 1.20 0.12 0.00 0.00 0.00 174.94 176.60 3ix0 s PHE 68 N 1.66 3.23 -0.35 3.97 5.36 -1.26 -1.65 117.98 128.95 3ix0 s PHE 68 Ca 0.04 1.55 0.04 0.00 -0.96 0.00 0.00 56.93 57.60 3ix0 s PHE 68 Cb -0.13 -3.46 0.10 0.00 -0.34 0.00 0.00 43.02 39.19 3ix0 s PHE 68 CO -0.08 -1.26 0.06 0.15 -1.46 0.00 0.00 175.22 172.63 3ix0 s LYS 69 N -1.84 1.50 0.16 10.12 1.02 0.96 -4.94 119.74 126.73 3ix0 s LYS 69 Ca 0.50 -1.91 -0.15 0.00 0.02 0.00 0.00 55.97 54.43 3ix0 s LYS 69 Cb -0.34 -3.21 0.05 0.00 -0.52 0.00 0.00 37.83 33.80 3ix0 s LYS 69 CO 0.44 -0.95 1.81 -0.22 -0.92 0.00 0.00 175.35 175.52 3ix0 h LYS 70 N 7.56 0.55 -0.41 1.68 3.64 -1.96 -0.71 116.57 126.92 3ix0 h LYS 70 Ca -0.04 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.38 3ix0 h LYS 70 Cb 1.01 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 3ix0 h LYS 70 CO 0.53 0.36 0.28 0.93 -2.27 0.00 0.00 179.45 179.28 3ix0 h GLU 71 N 0.56 0.22 -0.02 1.90 5.08 -1.95 -1.23 114.58 119.14 3ix0 h GLU 71 Ca 0.17 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3ix0 h GLU 71 Cb -0.03 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3ix0 h GLU 71 CO -0.06 0.15 -0.15 -0.25 -1.00 0.00 0.00 179.01 177.70 3ix0 n ASP 72 N -4.47 2.60 -4.05 1.42 8.00 -0.78 -4.97 116.55 114.30 3ix0 n ASP 72 Ca 0.06 -1.81 -0.36 0.00 0.71 0.00 0.00 54.79 53.38 3ix0 n ASP 72 Cb 0.31 0.15 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 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 -7.01 1.06 0.06 0.00 -2.85 -1.06 -4.47 119.74 105.47 3ix0 s LYS 74 Ca 0.27 -0.63 0.02 0.00 -1.00 0.00 0.00 55.97 54.63 3ix0 s LYS 74 Cb -0.13 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 3ix0 s LYS 74 CO 0.95 -0.41 0.12 0.71 0.10 0.00 0.00 175.35 176.81 3ix0 s TYR 75 N -3.58 3.30 0.17 1.78 1.51 -1.26 -0.02 117.35 119.25 3ix0 s TYR 75 Ca 0.01 0.15 0.09 0.00 -1.01 0.00 0.00 57.07 56.31 3ix0 s TYR 75 Cb 0.01 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 3ix0 s TYR 75 CO -0.10 0.55 -0.09 0.96 -1.11 0.00 0.00 175.55 175.76 3ix0 s ILE 76 N -1.39 3.24 -0.17 2.71 -4.36 -0.66 -4.95 121.20 115.63 3ix0 s ILE 76 Ca 0.30 -1.61 0.01 0.00 -0.26 0.00 0.00 60.65 59.09 3ix0 s ILE 76 Cb -0.12 -2.60 0.02 0.00 1.25 0.00 0.00 42.46 41.01 3ix0 s ILE 76 CO 0.22 -0.09 -0.17 -0.69 0.24 0.00 0.00 174.94 174.45 3ix0 s VAL 77 N -1.67 1.81 0.26 8.37 1.01 -1.26 -0.05 120.40 128.88 3ix0 s VAL 77 Ca 0.25 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3ix0 s VAL 77 Cb -0.09 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 3ix0 s VAL 77 CO 0.15 0.48 0.12 0.68 0.00 0.00 0.00 175.10 176.53 3ix0 s VAL 78 N 1.39 0.42 0.12 2.92 -7.23 0.77 -1.31 120.40 117.47 3ix0 s VAL 78 Ca 0.05 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.91 3ix0 s VAL 78 Cb -0.13 -2.58 -0.07 0.00 0.56 0.00 0.00 36.38 34.16 3ix0 s VAL 78 CO -0.12 0.00 1.22 -1.61 -0.31 0.00 0.00 175.10 174.29 3ix0 s GLU 79 N -3.99 4.44 0.18 4.82 2.02 -0.43 0.58 118.70 126.33 3ix0 s GLU 79 Ca 0.37 1.85 -0.13 0.00 0.02 0.00 0.00 54.97 57.08 3ix0 s GLU 79 Cb 0.07 -3.29 0.12 0.00 0.10 0.00 0.00 34.13 31.13 3ix0 s GLU 79 CO 0.15 -0.21 1.81 0.87 0.02 0.00 0.00 175.26 177.89 3ix0 h LYS 80 N 6.18 0.58 0.00 1.61 1.57 -1.09 -0.83 116.57 124.59 3ix0 h LYS 80 Ca -0.43 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3ix0 h LYS 80 Cb 1.21 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3ix0 h LYS 80 CO 0.79 0.38 0.00 1.57 -0.57 0.00 0.00 179.45 181.63 3ix0 h LYS 81 N 0.60 0.00 -1.28 3.15 2.10 -1.92 -3.38 116.57 115.83 3ix0 h LYS 81 Ca 0.22 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.67 3ix0 h LYS 81 Cb 0.06 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 31.18 3ix0 h LYS 81 CO -0.12 0.00 -0.56 0.34 -2.00 0.00 0.00 179.45 177.12 3ix0 s ASP 82 N -4.79 -0.79 0.00 7.07 2.15 -0.84 -5.02 116.67 114.45 3ix0 s ASP 82 Ca 0.03 -1.52 0.01 0.00 0.43 0.00 0.00 52.55 51.50 3ix0 s ASP 82 Cb 0.09 1.48 0.06 0.00 -0.30 0.00 0.00 42.92 44.26 3ix0 s ASP 82 CO 0.46 -0.13 0.44 -2.65 -0.17 0.00 0.00 175.17 173.11 3ix0 n PRO 83 N 3.63 0.04 0.00 4.34 -0.02 -0.38 -0.45 135.00 142.17 3ix0 n PRO 83 Ca 0.16 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.75 3ix0 n PRO 83 Cb 0.54 -1.37 0.16 0.00 -0.02 0.00 0.00 33.50 32.81 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 -0.87 0.01 -4.04 -0.52 5.02 -1.26 -4.78 118.16 111.72 3ix0 n LYS 84 Ca 0.01 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 3ix0 n LYS 84 Cb 0.00 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 33.41 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 -3.01 3.93 0.30 1.97 -0.14 0.40 -5.04 119.74 118.15 3ix0 s LYS 85 Ca 0.10 -0.37 -0.14 0.00 -1.36 0.00 0.00 55.97 54.21 3ix0 s LYS 85 Cb 0.17 -3.18 -0.09 0.00 -1.68 0.00 0.00 37.83 33.05 3ix0 s LYS 85 CO 0.74 0.26 0.69 0.95 -0.76 0.00 0.00 175.35 177.23 3ix0 s THR 86 N 0.41 4.74 0.11 2.17 -4.23 -1.26 -1.32 115.64 116.25 3ix0 s THR 86 Ca 0.02 0.84 0.05 0.00 -1.18 0.00 0.00 61.69 61.42 3ix0 s THR 86 Cb -0.13 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 3ix0 s THR 86 CO 0.01 -0.15 0.04 0.00 -0.54 0.00 0.00 174.62 173.98 3ix0 s SER 88 N -2.54 7.30 -0.07 0.00 1.04 -1.26 -4.79 113.70 113.38 3ix0 s SER 88 Ca 0.28 1.85 0.04 0.00 0.48 0.00 0.00 55.95 58.60 3ix0 s SER 88 Cb -0.11 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.41 3ix0 s SER 88 CO 0.20 -0.10 -0.20 -0.69 0.98 0.00 0.00 173.24 173.43 3ix0 s VAL 89 N -1.63 2.50 -1.43 5.02 1.01 -1.26 -4.55 120.40 120.06 3ix0 s VAL 89 Ca 0.51 -0.91 0.17 0.00 0.00 0.00 0.00 61.98 61.75 3ix0 s VAL 89 Cb -0.19 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3ix0 s VAL 89 CO 0.24 0.57 0.85 -1.54 0.00 0.00 0.00 175.10 175.22 3ix0 n SER 90 N 2.85 1.55 -3.64 3.32 3.41 0.20 -4.96 113.62 116.34 3ix0 n SER 90 Ca -0.17 -1.27 -0.09 0.00 -0.26 0.00 0.00 58.87 57.08 3ix0 n SER 90 Cb 0.52 0.54 -0.07 0.00 -0.26 0.00 0.00 64.21 64.94 3ix0 n SER 90 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3ix0 s GLU 91 N -2.03 0.70 0.19 4.33 2.12 -1.22 -4.89 118.70 117.90 3ix0 s GLU 91 Ca 0.13 1.08 0.11 0.00 0.36 0.00 0.00 54.97 56.65 3ix0 s GLU 91 Cb 0.13 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.69 3ix0 s GLU 91 CO 0.45 -0.13 -0.22 -1.58 -0.54 0.00 0.00 175.26 173.24 3ix0 s TRP 92 N 1.19 2.35 -0.01 5.30 0.52 -1.26 -0.98 118.94 126.05 3ix0 s TRP 92 Ca -0.06 -0.34 0.03 0.00 0.02 0.00 0.00 56.10 55.74 3ix0 s TRP 92 Cb -0.05 -1.17 -0.00 0.00 -1.15 0.00 0.00 33.47 31.10 3ix0 s TRP 92 CO -0.13 0.49 -0.10 0.42 0.02 0.00 0.00 176.95 177.65 3ix0 s ILE 93 N -1.62 0.79 0.00 2.03 1.01 0.13 -4.93 121.20 118.62 3ix0 s ILE 93 Ca 0.21 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.45 3ix0 s ILE 93 Cb -0.08 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.71 3ix0 s ILE 93 CO 0.10 0.23 0.03 0.00 0.00 0.00 0.00 174.94 175.31