#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ig9 n GLY 3 N 0.00 -0.34 3.28 -0.02 0.00 -1.26 -4.76 105.19 102.09 3ig9 n GLY 3 Ca 0.00 -1.47 -0.16 0.00 0.00 0.00 0.00 46.02 44.39 3ig9 n GLY 3 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ig9 s TYR 4 N 0.00 1.46 -0.18 1.61 1.51 0.18 -1.10 117.35 120.82 3ig9 s TYR 4 Ca 0.00 -0.65 -0.01 0.00 -1.01 0.00 0.00 57.07 55.39 3ig9 s TYR 4 Cb 0.00 -0.71 -0.00 0.00 -0.11 0.00 0.00 41.96 41.13 3ig9 s TYR 4 CO 0.00 0.20 -0.12 0.08 -1.11 0.00 0.00 175.55 174.60 3ig9 s VAL 5 N -2.98 2.88 -0.23 0.71 1.01 -0.04 -1.01 120.40 120.73 3ig9 s VAL 5 Ca 0.17 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 3ig9 s VAL 5 Cb 0.00 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 3ig9 s VAL 5 CO 0.03 0.49 0.22 0.20 0.00 0.00 0.00 175.10 176.04 3ig9 s ASN 6 N 1.08 6.20 -0.17 3.32 0.01 0.34 -1.21 114.94 124.51 3ig9 s ASN 6 Ca -0.00 0.21 0.00 0.00 -0.71 0.00 0.00 52.86 52.37 3ig9 s ASN 6 Cb -0.15 -2.13 0.01 0.00 0.41 0.00 0.00 41.25 39.39 3ig9 s ASN 6 CO -0.03 0.04 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.80 3ig9 s ILE 7 N 1.08 2.48 -0.15 0.60 1.09 0.65 -1.43 121.20 125.51 3ig9 s ILE 7 Ca 0.10 -0.82 -0.03 0.00 -1.10 0.00 0.00 60.65 58.80 3ig9 s ILE 7 Cb -0.14 -2.05 -0.02 0.00 -1.06 0.00 0.00 42.46 39.19 3ig9 s ILE 7 CO 0.05 0.52 -0.06 -0.75 -0.10 0.00 0.00 174.94 174.60 3ig9 s LYS 8 N 1.01 3.59 0.11 2.79 2.20 0.09 -0.98 119.74 128.54 3ig9 s LYS 8 Ca -0.02 -0.56 0.05 0.00 -0.36 0.00 0.00 55.97 55.07 3ig9 s LYS 8 Cb -0.15 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 3ig9 s LYS 8 CO -0.04 0.22 0.05 0.95 -0.36 0.00 0.00 175.35 176.16 3ig9 s THR 9 N 0.41 4.20 -0.11 3.43 -4.23 0.34 -0.53 115.64 119.15 3ig9 s THR 9 Ca -0.05 -1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 59.44 3ig9 s THR 9 Cb -0.15 -3.05 -0.03 0.00 1.34 0.00 0.00 72.50 70.62 3ig9 s THR 9 CO 0.03 0.05 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.73 3ig9 s PHE 10 N -1.47 2.95 0.37 3.99 0.08 -0.62 -2.79 117.98 120.50 3ig9 s PHE 10 Ca 0.28 -0.17 -0.28 0.00 0.12 0.00 0.00 56.93 56.88 3ig9 s PHE 10 Cb -0.11 -1.81 -0.10 0.00 -0.57 0.00 0.00 43.02 40.42 3ig9 s PHE 10 CO 0.20 0.14 1.40 0.99 -0.10 0.00 0.00 175.22 177.85 3ig9 s THR 11 N -0.27 2.33 -0.05 0.64 2.01 -1.26 -4.45 115.64 114.60 3ig9 s THR 11 Ca 0.04 0.33 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 3ig9 s THR 11 Cb -0.13 -3.20 0.08 0.00 0.01 0.00 0.00 72.50 69.26 3ig9 s THR 11 CO 0.02 0.07 0.75 -1.38 -0.69 0.00 0.00 174.62 173.39 3ig9 s HIS 12 N -1.15 -0.58 0.30 4.92 -3.43 -1.04 -4.91 115.29 109.41 3ig9 s HIS 12 Ca 0.53 0.92 -0.29 0.00 -0.80 0.00 0.00 55.06 55.41 3ig9 s HIS 12 Cb -0.43 0.44 -0.12 0.00 -1.43 0.00 0.00 32.58 31.03 3ig9 s HIS 12 CO 0.58 -0.57 1.42 -2.30 -2.00 0.00 0.00 174.74 171.86 3ig9 n PRO 13 N 0.72 2.28 -2.57 -0.38 -0.02 -1.26 -1.01 135.00 132.75 3ig9 n PRO 13 Ca -0.17 0.81 -0.17 0.00 -2.02 0.00 0.00 63.50 61.95 3ig9 n PRO 13 Cb 0.58 -2.47 0.02 0.00 -0.02 0.00 0.00 33.50 31.61 3ig9 n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ig9 n ALA 14 N 1.25 4.18 0.00 3.55 0.00 -0.91 -4.73 120.51 123.85 3ig9 n ALA 14 Ca 0.07 -3.68 0.00 0.00 0.00 0.00 0.00 53.44 49.84 3ig9 n ALA 14 Cb 0.35 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3ig9 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ig9 n GLY 15 N -0.27 2.24 3.68 0.00 0.00 -1.26 -4.57 105.19 105.00 3ig9 n GLY 15 Ca 0.23 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 3ig9 n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ig9 s GLU 16 N -1.96 4.15 0.00 1.61 2.12 -1.26 -2.04 118.70 121.32 3ig9 s GLU 16 Ca 0.00 2.55 0.00 0.00 0.36 0.00 0.00 54.97 57.88 3ig9 s GLU 16 Cb 0.00 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.53 3ig9 s GLU 16 CO 0.00 -0.88 0.00 0.41 -0.54 0.00 0.00 175.26 174.25 3ig9 n GLY 17 N 4.34 0.32 3.35 -1.50 0.00 -1.26 -5.00 105.19 105.45 3ig9 n GLY 17 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 3ig9 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ig9 s LYS 18 N -0.74 1.48 0.08 1.61 1.02 -0.86 -1.91 119.74 120.42 3ig9 s LYS 18 Ca 0.00 -1.81 -0.26 0.00 0.02 0.00 0.00 55.97 53.92 3ig9 s LYS 18 Cb 0.00 -0.41 0.08 0.00 -0.52 0.00 0.00 37.83 36.99 3ig9 s LYS 18 CO 0.00 -0.28 0.84 -1.83 -0.92 0.00 0.00 175.35 173.16 3ig9 s GLU 19 N -3.99 1.05 -0.22 1.68 -1.05 -0.64 -2.13 118.70 113.40 3ig9 s GLU 19 Ca 0.37 -0.46 -0.08 0.00 -0.15 0.00 0.00 54.97 54.66 3ig9 s GLU 19 Cb 0.08 0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 34.17 3ig9 s GLU 19 CO 0.14 -0.47 0.08 0.08 0.95 0.00 0.00 175.26 176.04 3ig9 s VAL 20 N -3.33 4.65 0.09 1.83 1.01 -0.18 -1.05 120.40 123.42 3ig9 s VAL 20 Ca 0.06 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 3ig9 s VAL 20 Cb -0.01 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 3ig9 s VAL 20 CO -0.06 0.39 0.95 -0.54 0.00 0.00 0.00 175.10 175.84 3ig9 s LYS 21 N 0.99 4.67 0.63 2.72 1.02 -1.26 -2.48 119.74 126.02 3ig9 s LYS 21 Ca 0.04 1.43 -0.16 0.00 0.02 0.00 0.00 55.97 57.30 3ig9 s LYS 21 Cb -0.14 -3.39 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 3ig9 s LYS 21 CO 0.03 0.18 1.12 0.20 -0.92 0.00 0.00 175.35 175.96 3ig9 s GLY 22 N 0.13 2.29 0.13 -3.33 0.00 -1.26 -4.77 107.32 100.52 3ig9 s GLY 22 Ca 0.47 0.63 -0.07 0.00 0.00 0.00 0.00 44.72 45.75 3ig9 s GLY 22 CO 0.29 0.98 0.21 -3.16 0.00 0.00 0.00 173.10 171.42 3ig9 s MET 23 N -3.86 1.02 -0.09 2.90 0.23 -1.12 -4.88 119.30 113.50 3ig9 s MET 23 Ca 0.69 -1.17 0.02 0.00 -1.03 0.00 0.00 55.69 54.19 3ig9 s MET 23 Cb -0.22 0.34 0.01 0.00 -1.53 0.00 0.00 34.83 33.44 3ig9 s MET 23 CO 0.37 -0.34 -0.13 -1.21 -2.03 0.00 0.00 175.02 171.68 3ig9 s GLU 24 N -3.95 1.96 -0.05 3.16 2.02 -1.26 -0.51 118.70 120.06 3ig9 s GLU 24 Ca 0.15 -0.48 -0.05 0.00 0.02 0.00 0.00 54.97 54.61 3ig9 s GLU 24 Cb 0.05 -1.66 0.01 0.00 0.10 0.00 0.00 34.13 32.63 3ig9 s GLU 24 CO -0.03 -0.03 0.14 0.54 0.02 0.00 0.00 175.26 175.90 3ig9 s VAL 25 N 0.90 0.00 -0.17 2.63 0.11 -0.15 -4.41 120.40 119.30 3ig9 s VAL 25 Ca -0.09 -0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.90 3ig9 s VAL 25 Cb -0.15 -0.21 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 3ig9 s VAL 25 CO 0.01 -0.00 0.00 -0.44 -3.33 0.00 0.00 175.10 171.34 3ig9 s SER 26 N 0.07 5.08 -0.08 3.54 0.01 -0.01 -0.26 113.70 122.05 3ig9 s SER 26 Ca -0.00 -0.07 0.03 0.00 1.31 0.00 0.00 55.95 57.22 3ig9 s SER 26 Cb -0.01 -1.85 0.01 0.00 0.21 0.00 0.00 66.02 64.38 3ig9 s SER 26 CO 0.00 0.15 -0.18 -0.69 0.41 0.00 0.00 173.24 172.94 3ig9 s VAL 27 N 0.47 1.59 0.26 3.43 1.01 -0.35 -0.48 120.40 126.33 3ig9 s VAL 27 Ca -0.01 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 3ig9 s VAL 27 Cb -0.14 -1.41 -0.14 0.00 0.00 0.00 0.00 36.38 34.70 3ig9 s VAL 27 CO 0.02 0.46 1.25 -2.65 0.00 0.00 0.00 175.10 174.18 3ig9 n PRO 28 N 3.70 1.75 -0.24 2.72 -0.02 -1.26 -0.86 135.00 140.79 3ig9 n PRO 28 Ca -0.21 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3ig9 n PRO 28 Cb 0.52 -2.17 0.12 0.00 -0.02 0.00 0.00 33.50 31.95 3ig9 n PRO 28 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3ig9 h PHE 29 N 3.24 0.68 0.00 6.00 3.57 -1.41 -0.02 116.94 129.00 3ig9 h PHE 29 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 3ig9 h PHE 29 Cb 1.30 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.84 3ig9 h PHE 29 CO 0.53 0.29 0.00 0.93 -2.23 0.00 0.00 178.31 177.83 3ig9 h GLU 30 N 0.66 0.00 0.00 1.11 3.07 -1.89 0.15 114.58 117.68 3ig9 h GLU 30 Ca 0.33 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.96 3ig9 h GLU 30 Cb 0.27 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 3ig9 h GLU 30 CO -0.22 0.00 -1.23 0.82 -1.40 0.00 0.00 179.01 176.97 3ig9 h ILE 31 N 0.00 0.93 -0.39 3.13 2.04 -1.42 -3.38 117.51 118.42 3ig9 h ILE 31 Ca 0.00 -2.18 0.01 0.00 1.00 0.00 0.00 64.86 63.69 3ig9 h ILE 31 Cb 0.27 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 3ig9 h ILE 31 CO 0.00 0.32 0.24 0.22 0.00 0.00 0.00 178.15 178.93 3ig9 h TYR 32 N -1.00 0.46 0.00 1.37 3.20 -0.80 -2.65 116.97 117.55 3ig9 h TYR 32 Ca -0.34 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.54 3ig9 h TYR 32 Cb 1.30 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 3ig9 h TYR 32 CO 0.10 0.28 -0.03 0.66 -1.64 0.00 0.00 178.16 177.53 3ig9 h SER 33 N 0.49 0.00 -0.02 -2.11 4.64 -0.93 -2.45 113.55 113.18 3ig9 h SER 33 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3ig9 h SER 33 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3ig9 h SER 33 CO -0.06 0.03 -0.28 0.59 -0.87 0.00 0.00 176.83 176.24 3ig9 n ASN 34 N -3.45 2.08 -3.29 4.97 3.02 -1.03 -4.87 115.26 112.69 3ig9 n ASN 34 Ca -0.02 -1.54 0.03 0.00 -0.03 0.00 0.00 54.58 53.01 3ig9 n ASN 34 Cb 0.13 0.33 -0.02 0.00 -0.61 0.00 0.00 39.78 39.61 3ig9 n ASN 34 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3ig9 s GLU 35 N -2.01 0.57 -0.21 3.52 2.12 -0.92 -5.10 118.70 116.66 3ig9 s GLU 35 Ca 0.18 1.13 -0.15 0.00 0.36 0.00 0.00 54.97 56.49 3ig9 s GLU 35 Cb 0.16 0.64 0.06 0.00 0.26 0.00 0.00 34.13 35.25 3ig9 s GLU 35 CO 0.41 -0.50 0.53 -3.38 -0.54 0.00 0.00 175.26 171.78 3ig9 s HIS 36 N 2.87 -0.71 -0.28 5.30 -3.43 -1.26 -4.57 115.29 113.21 3ig9 s HIS 36 Ca 0.13 1.56 -0.07 0.00 -0.80 0.00 0.00 55.06 55.88 3ig9 s HIS 36 Cb -0.14 0.33 -0.01 0.00 -1.43 0.00 0.00 32.58 31.33 3ig9 s HIS 36 CO -0.20 -0.36 0.08 0.50 -2.00 0.00 0.00 174.74 172.76 3ig9 s ARG 37 N 0.98 3.34 -0.57 -0.38 3.52 -1.26 -5.05 118.95 119.53 3ig9 s ARG 37 Ca -0.06 -0.69 -0.06 0.00 -0.13 0.00 0.00 55.73 54.79 3ig9 s ARG 37 Cb -0.06 -3.37 0.15 0.00 -1.56 0.00 0.00 34.95 30.11 3ig9 s ARG 37 CO -0.09 -0.34 0.41 0.42 -0.81 0.00 0.00 175.30 174.89 3ig9 s ILE 38 N 1.56 3.98 -0.29 4.11 1.01 -1.26 -4.94 121.20 125.38 3ig9 s ILE 38 Ca 0.04 -2.44 0.22 0.00 0.00 0.00 0.00 60.65 58.48 3ig9 s ILE 38 Cb -0.16 -3.60 0.09 0.00 0.01 0.00 0.00 42.46 38.79 3ig9 s ILE 38 CO 0.03 -0.83 1.19 0.00 0.00 0.00 0.00 174.94 175.33 3ig9 h ALA 39 N 7.67 0.64 -3.41 9.38 0.00 -1.97 -3.48 119.26 128.09 3ig9 h ALA 39 Ca -0.07 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 3ig9 h ALA 39 Cb 1.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3ig9 h ALA 39 CO 0.75 0.03 0.10 -0.40 0.00 0.00 0.00 179.25 179.73 3ig9 n ASP 40 N -2.80 -1.89 -1.15 0.00 3.85 -1.26 -5.06 116.55 108.24 3ig9 n ASP 40 Ca 0.01 -2.70 0.10 0.00 -0.71 0.00 0.00 54.79 51.49 3ig9 n ASP 40 Cb 0.55 3.26 0.27 0.00 -1.35 0.00 0.00 41.12 43.86 3ig9 n ASP 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ig9 n ALA 41 N -0.65 2.42 -1.82 2.12 0.00 -1.26 -4.65 120.51 116.67 3ig9 n ALA 41 Ca -0.15 -1.09 -0.40 0.00 0.00 0.00 0.00 53.44 51.79 3ig9 n ALA 41 Cb 0.58 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 3ig9 n ALA 41 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ig9 n HIS 42 N 1.30 2.60 -3.84 0.00 8.25 -1.26 -4.86 115.22 117.41 3ig9 n HIS 42 Ca 0.21 -2.90 -0.09 0.00 -0.26 0.00 0.00 57.72 54.67 3ig9 n HIS 42 Cb 0.53 -2.05 -0.04 0.00 1.12 0.00 0.00 29.99 29.55 3ig9 n HIS 42 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3ig9 s TYR 43 N 0.03 0.06 -0.05 4.41 1.13 -1.26 -1.58 117.35 120.08 3ig9 s TYR 43 Ca 0.57 -0.42 -0.03 0.00 -1.41 0.00 0.00 57.07 55.78 3ig9 s TYR 43 Cb 0.17 0.32 0.03 0.00 -1.10 0.00 0.00 41.96 41.38 3ig9 s TYR 43 CO -0.08 -0.95 0.13 -0.65 -2.51 0.00 0.00 175.55 171.49 3ig9 s GLN 44 N -3.93 0.10 0.13 -3.49 -1.52 0.31 -4.98 119.66 106.28 3ig9 s GLN 44 Ca 0.14 0.27 0.10 0.00 -1.95 0.00 0.00 55.36 53.92 3ig9 s GLN 44 Cb -0.01 -0.09 -0.04 0.00 -0.22 0.00 0.00 33.01 32.66 3ig9 s GLN 44 CO 0.02 -0.11 -0.25 0.95 -0.25 0.00 0.00 175.29 175.65 3ig9 s THR 45 N 0.72 2.13 -0.04 -0.19 -4.23 -1.26 -0.73 115.64 112.04 3ig9 s THR 45 Ca -0.05 -1.72 -0.01 0.00 -1.18 0.00 0.00 61.69 58.72 3ig9 s THR 45 Cb -0.07 -1.90 0.03 0.00 1.34 0.00 0.00 72.50 71.90 3ig9 s THR 45 CO -0.03 0.04 0.07 -0.36 -0.54 0.00 0.00 174.62 173.79 3ig9 s PHE 46 N -1.12 -0.02 0.38 3.99 0.08 -0.52 -4.96 117.98 115.81 3ig9 s PHE 46 Ca 0.13 0.25 -0.24 0.00 0.12 0.00 0.00 56.93 57.18 3ig9 s PHE 46 Cb -0.10 -0.25 -0.09 0.00 -0.57 0.00 0.00 43.02 42.01 3ig9 s PHE 46 CO 0.06 -0.13 1.01 -2.14 -0.10 0.00 0.00 175.22 173.91 3ig9 s PRO 47 N 1.35 4.31 0.20 0.24 0.02 -1.26 -0.50 135.00 139.36 3ig9 s PRO 47 Ca -0.06 1.42 -0.21 0.00 0.02 0.00 0.00 61.00 62.17 3ig9 s PRO 47 Cb -0.12 -2.60 0.04 0.00 0.02 0.00 0.00 34.50 31.84 3ig9 s PRO 47 CO -0.04 0.01 0.60 -1.54 -0.33 0.00 0.00 177.00 175.70 3ig9 s SER 48 N -1.63 -0.40 0.29 2.53 1.04 -0.18 -4.94 113.70 110.41 3ig9 s SER 48 Ca 0.56 -0.30 0.12 0.00 0.48 0.00 0.00 55.95 56.81 3ig9 s SER 48 Cb -0.20 0.62 0.41 0.00 0.10 0.00 0.00 66.02 66.95 3ig9 s SER 48 CO 0.25 -1.08 1.63 -0.33 0.98 0.00 0.00 173.24 174.69 3ig9 h GLU 49 N 2.07 0.00 -6.37 4.02 5.08 -1.91 0.51 114.58 117.97 3ig9 h GLU 49 Ca -0.29 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.47 3ig9 h GLU 49 Cb 1.28 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.34 3ig9 h GLU 49 CO 0.34 0.58 -0.81 0.15 -1.00 0.00 0.00 179.01 178.27 3ig9 s LYS 50 N -3.62 1.40 -0.14 2.33 1.02 -1.26 -4.41 119.74 115.06 3ig9 s LYS 50 Ca -0.01 -1.45 -0.29 0.00 0.02 0.00 0.00 55.97 54.24 3ig9 s LYS 50 Cb 0.12 -1.64 -0.04 0.00 -0.52 0.00 0.00 37.83 35.75 3ig9 s LYS 50 CO 0.75 0.35 1.58 0.00 -0.92 0.00 0.00 175.35 177.11 3ig9 s ALA 51 N -1.72 3.48 -0.35 5.17 0.00 -1.26 -4.75 121.76 122.33 3ig9 s ALA 51 Ca 0.18 0.67 0.21 0.00 0.00 0.00 0.00 51.96 53.01 3ig9 s ALA 51 Cb -0.07 -3.77 0.28 0.00 0.00 0.00 0.00 23.12 19.55 3ig9 s ALA 51 CO 0.08 -1.59 1.57 0.00 0.00 0.00 0.00 175.76 175.82 3ig9 h ALA 52 N 9.83 0.91 -2.40 0.00 0.00 -1.96 -3.47 119.26 122.18 3ig9 h ALA 52 Ca -0.35 -0.13 -0.56 0.00 0.00 0.00 0.00 54.91 53.87 3ig9 h ALA 52 Cb 1.16 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 3ig9 h ALA 52 CO 0.98 0.18 -0.62 0.71 0.00 0.00 0.00 179.25 180.50 3ig9 s TYR 53 N -3.15 2.83 0.09 0.00 2.02 -1.26 -5.05 117.35 112.83 3ig9 s TYR 53 Ca 0.06 -0.17 -0.23 0.00 -0.37 0.00 0.00 57.07 56.36 3ig9 s TYR 53 Cb 0.06 -1.29 -0.15 0.00 -0.40 0.00 0.00 41.96 40.18 3ig9 s TYR 53 CO 0.69 0.57 1.73 1.15 -1.57 0.00 0.00 175.55 178.12 3ig9 h THR 54 N 1.97 1.01 -3.40 -0.71 2.02 -1.90 -3.40 112.91 108.49 3ig9 h THR 54 Ca -0.46 -0.03 -0.57 0.00 0.77 0.00 0.00 66.41 66.13 3ig9 h THR 54 Cb 1.23 1.02 -0.06 0.00 -1.74 0.00 0.00 68.15 68.60 3ig9 h THR 54 CO 0.60 0.01 0.88 -0.89 0.37 0.00 0.00 175.52 176.48 3ig9 s THR 55 N -6.15 4.39 -0.15 3.16 2.01 -1.26 -5.00 115.64 112.65 3ig9 s THR 55 Ca -0.13 1.57 0.01 0.00 0.31 0.00 0.00 61.69 63.45 3ig9 s THR 55 Cb 0.06 -4.44 0.00 0.00 0.01 0.00 0.00 72.50 68.13 3ig9 s THR 55 CO 0.66 -0.62 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.11 3ig9 s VAL 56 N 3.93 2.48 0.30 3.82 1.01 -1.26 -0.83 120.40 129.85 3ig9 s VAL 56 Ca 0.47 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 3ig9 s VAL 56 Cb -0.11 -2.02 -0.10 0.00 0.00 0.00 0.00 36.38 34.14 3ig9 s VAL 56 CO 0.20 0.53 1.38 -0.69 0.00 0.00 0.00 175.10 176.52 3ig9 s VAL 57 N 0.76 2.62 -0.22 2.92 1.01 0.36 -4.96 120.40 122.88 3ig9 s VAL 57 Ca -0.07 0.58 -0.16 0.00 0.00 0.00 0.00 61.98 62.33 3ig9 s VAL 57 Cb -0.16 -3.37 -0.10 0.00 0.00 0.00 0.00 36.38 32.76 3ig9 s VAL 57 CO 0.00 0.12 -0.26 0.35 0.00 0.00 0.00 175.10 175.32 3ig9 n THR 58 N 1.38 1.51 -4.45 3.92 -2.24 -1.26 -4.55 114.28 108.59 3ig9 n THR 58 Ca 0.03 -0.10 -0.22 0.00 -2.27 0.00 0.00 64.05 61.48 3ig9 n THR 58 Cb 0.41 -2.11 -0.10 0.00 -2.10 0.00 0.00 70.33 66.43 3ig9 n THR 58 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3ig9 s ASP 59 N -6.72 2.29 0.24 3.42 3.84 -1.26 -5.02 116.67 113.46 3ig9 s ASP 59 Ca -0.32 -1.49 -0.06 0.00 -0.00 0.00 0.00 52.55 50.69 3ig9 s ASP 59 Cb 0.09 0.18 0.32 0.00 -1.38 0.00 0.00 42.92 42.13 3ig9 s ASP 59 CO 0.46 -0.75 1.84 0.00 -0.00 0.00 0.00 175.17 176.71 3ig9 h ALA 60 N 2.05 1.13 -0.36 2.11 0.00 -1.97 -1.45 119.26 120.77 3ig9 h ALA 60 Ca -0.38 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3ig9 h ALA 60 Cb 1.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3ig9 h ALA 60 CO 0.63 0.21 0.02 0.00 0.00 0.00 0.00 179.25 180.11 3ig9 h ALA 61 N 1.40 1.37 -0.53 0.00 0.00 -2.00 -1.46 119.26 118.04 3ig9 h ALA 61 Ca 0.36 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 3ig9 h ALA 61 Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ig9 h ALA 61 CO -0.18 0.44 -0.13 0.22 0.00 0.00 0.00 179.25 179.60 3ig9 h ASP 62 N 0.53 1.03 -0.45 0.00 3.58 -1.70 -2.70 116.42 116.71 3ig9 h ASP 62 Ca 0.11 -0.35 -0.07 0.00 0.42 0.00 0.00 57.03 57.14 3ig9 h ASP 62 Cb 0.31 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 3ig9 h ASP 62 CO 0.01 1.15 0.01 -0.25 -2.88 0.00 0.00 179.24 177.28 3ig9 h TRP 63 N 0.91 0.85 -0.99 0.28 -0.00 -0.83 -2.39 115.95 113.79 3ig9 h TRP 63 Ca 0.14 -0.14 0.14 0.00 -0.00 0.00 0.00 58.89 59.02 3ig9 h TRP 63 Cb 0.70 -0.22 -0.09 0.00 -0.00 0.00 0.00 29.16 29.55 3ig9 h TRP 63 CO 0.05 0.83 0.61 0.00 -0.00 0.00 0.00 178.44 179.93 3ig9 h ARG 64 N 0.63 0.89 0.15 2.65 3.08 -1.14 0.20 114.38 120.85 3ig9 h ARG 64 Ca 0.13 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3ig9 h ARG 64 Cb 0.48 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3ig9 h ARG 64 CO 0.02 0.59 -0.07 1.15 -1.07 0.00 0.00 179.97 180.59 3ig9 h THR 65 N 0.92 0.94 -0.22 2.04 2.02 -1.24 -2.07 112.91 115.29 3ig9 h THR 65 Ca 0.51 -0.39 -0.09 0.00 0.77 0.00 0.00 66.41 67.21 3ig9 h THR 65 Cb 0.59 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 3ig9 h THR 65 CO -0.30 0.09 -0.26 0.11 0.37 0.00 0.00 175.52 175.53 3ig9 h LYS 66 N -0.39 0.42 -0.45 6.66 1.57 -0.90 -2.14 116.57 121.34 3ig9 h LYS 66 Ca -0.02 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 3ig9 h LYS 66 Cb 0.31 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3ig9 h LYS 66 CO 0.03 0.65 -0.17 -0.97 -0.57 0.00 0.00 179.45 178.43 3ig9 h ASN 67 N 0.37 0.86 -0.55 0.86 -0.00 -0.62 -2.87 115.58 113.63 3ig9 h ASN 67 Ca 0.05 -0.29 -0.12 0.00 -0.00 0.00 0.00 56.30 55.95 3ig9 h ASN 67 Cb 0.66 -0.24 -0.02 0.00 -0.00 0.00 0.00 38.32 38.72 3ig9 h ASN 67 CO 0.05 1.02 -0.11 0.00 -0.00 0.00 0.00 177.43 178.39 3ig9 h ALA 68 N 1.05 0.75 0.00 1.57 0.00 -1.14 -3.03 119.26 118.47 3ig9 h ALA 68 Ca 0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3ig9 h ALA 68 Cb 0.69 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3ig9 h ALA 68 CO 0.05 0.67 -0.06 0.00 0.00 0.00 0.00 179.25 179.92 3ig9 h ALA 69 N 0.93 1.15 0.00 0.00 0.00 -1.18 -2.73 119.26 117.42 3ig9 h ALA 69 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ig9 h ALA 69 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ig9 h ALA 69 CO 0.05 0.07 0.00 0.52 0.00 0.00 0.00 179.25 179.89 3ig9 h MET 70 N 0.00 0.00 -0.21 0.00 2.07 -1.39 -2.73 114.93 112.67 3ig9 h MET 70 Ca -0.00 0.00 -0.18 0.00 -2.07 0.00 0.00 59.70 57.44 3ig9 h MET 70 Cb 0.28 0.00 -0.22 0.00 -1.87 0.00 0.00 31.60 29.79 3ig9 h MET 70 CO 0.01 0.00 -0.75 1.19 1.07 0.00 0.00 176.91 178.43 3ig9 n PHE 71 N -2.32 0.74 -3.79 -0.22 3.72 -1.03 -4.90 117.46 109.65 3ig9 n PHE 71 Ca -0.01 -1.52 -0.37 0.00 -0.05 0.00 0.00 57.45 55.51 3ig9 n PHE 71 Cb 0.06 -0.25 -0.13 0.00 -0.94 0.00 0.00 39.48 38.22 3ig9 n PHE 71 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3ig9 s THR 72 N -2.93 3.88 0.59 4.37 2.01 -1.03 -5.10 115.64 117.43 3ig9 s THR 72 Ca 0.39 -0.56 -0.17 0.00 0.31 0.00 0.00 61.69 61.67 3ig9 s THR 72 Cb 0.38 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 3ig9 s THR 72 CO -0.06 0.20 1.08 -2.84 -0.69 0.00 0.00 174.62 172.31 3ig9 s PRO 73 N 1.51 3.23 0.21 4.92 0.02 -1.26 -4.56 135.00 139.07 3ig9 s PRO 73 Ca 0.04 1.34 -0.06 0.00 0.02 0.00 0.00 61.00 62.34 3ig9 s PRO 73 Cb -0.16 -2.01 -0.02 0.00 0.02 0.00 0.00 34.50 32.32 3ig9 s PRO 73 CO 0.01 -0.90 0.27 0.95 -0.33 0.00 0.00 177.00 177.01 3ig9 s THR 74 N -2.25 0.01 0.14 0.99 -4.23 -0.21 -4.96 115.64 105.12 3ig9 s THR 74 Ca 0.66 -1.73 -0.31 0.00 -1.18 0.00 0.00 61.69 59.13 3ig9 s THR 74 Cb -0.19 -2.33 -0.09 0.00 1.34 0.00 0.00 72.50 71.23 3ig9 s THR 74 CO 0.34 -0.03 1.55 -2.84 -0.54 0.00 0.00 174.62 173.10 3ig9 s PRO 75 N -4.09 4.23 0.00 3.99 0.02 -1.26 -1.62 135.00 136.26 3ig9 s PRO 75 Ca 0.31 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.63 3ig9 s PRO 75 Cb 0.04 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3ig9 s PRO 75 CO 0.10 -0.59 0.38 1.55 -0.33 0.00 0.00 177.00 178.10