#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ia9 n ALA 0 N 0.00 0.00 -3.64 -2.53 0.00 -1.26 -5.28 120.51 107.80 2ia9 n ALA 0 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2ia9 n ALA 0 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2ia9 n ALA 0 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ia9 s GLU 2 N 0.00 0.46 -0.94 0.00 2.02 -1.26 -5.14 118.70 113.84 2ia9 s GLU 2 Ca 0.00 0.64 -0.22 0.00 0.02 0.00 0.00 54.97 55.41 2ia9 s GLU 2 Cb 0.00 0.18 0.08 0.00 0.10 0.00 0.00 34.13 34.49 2ia9 s GLU 2 CO 0.00 -0.07 1.29 0.08 0.02 0.00 0.00 175.26 176.58 2ia9 s VAL 3 N 0.66 4.24 0.31 2.63 1.01 -1.26 -1.41 120.40 126.58 2ia9 s VAL 3 Ca -0.01 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.02 2ia9 s VAL 3 Cb -0.05 -4.92 0.14 0.00 0.00 0.00 0.00 36.38 31.55 2ia9 s VAL 3 CO -0.10 -1.74 1.83 0.74 0.00 0.00 0.00 175.10 175.83 2ia9 h THR 4 N 6.33 1.22 -1.95 3.92 2.02 -0.82 -3.47 112.91 120.16 2ia9 h THR 4 Ca 0.12 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.42 2ia9 h THR 4 Cb 1.02 0.93 -0.20 0.00 -1.74 0.00 0.00 68.15 68.16 2ia9 h THR 4 CO 1.28 0.31 0.34 -0.62 0.37 0.00 0.00 175.52 177.20 2ia9 s ASP 5 N -6.70 -0.53 -0.08 4.18 2.15 -1.12 -4.97 116.67 109.59 2ia9 s ASP 5 Ca -0.08 0.49 -0.01 0.00 0.43 0.00 0.00 52.55 53.38 2ia9 s ASP 5 Cb 0.15 0.45 0.03 0.00 -0.30 0.00 0.00 42.92 43.25 2ia9 s ASP 5 CO 0.78 -0.55 -0.02 -0.69 -0.17 0.00 0.00 175.17 174.53 2ia9 s VAL 6 N -1.52 0.56 -0.20 1.11 1.01 -1.26 -0.18 120.40 119.92 2ia9 s VAL 6 Ca -0.06 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 2ia9 s VAL 6 Cb -0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 2ia9 s VAL 6 CO 0.04 0.29 -0.03 -0.60 0.00 0.00 0.00 175.10 174.80 2ia9 s ARG 7 N 1.89 3.52 0.09 2.72 6.06 -0.22 -5.01 118.95 128.00 2ia9 s ARG 7 Ca 0.05 -0.57 0.08 0.00 -2.50 0.00 0.00 55.73 52.79 2ia9 s ARG 7 Cb -0.12 -2.99 -0.03 0.00 0.06 0.00 0.00 34.95 31.86 2ia9 s ARG 7 CO -0.06 -0.02 -0.22 -1.17 -2.50 0.00 0.00 175.30 171.33 2ia9 s LEU 8 N 1.03 2.26 -0.20 -0.88 0.20 -1.26 -0.67 118.68 119.16 2ia9 s LEU 8 Ca 0.01 -0.64 -0.01 0.00 0.69 0.00 0.00 54.13 54.18 2ia9 s LEU 8 Cb -0.15 -0.98 0.05 0.00 -0.43 0.00 0.00 46.19 44.69 2ia9 s LEU 8 CO 0.01 0.11 -0.02 -0.60 -0.29 0.00 0.00 176.35 175.57 2ia9 s ARG 9 N -1.68 1.16 0.24 1.98 3.52 0.04 -5.01 118.95 119.20 2ia9 s ARG 9 Ca 0.08 -0.61 -0.30 0.00 -0.13 0.00 0.00 55.73 54.77 2ia9 s ARG 9 Cb -0.10 -2.21 -0.09 0.00 -1.56 0.00 0.00 34.95 31.00 2ia9 s ARG 9 CO 0.04 -0.56 1.02 1.03 -0.81 0.00 0.00 175.30 176.01 2ia9 s ARG 10 N 1.66 4.74 -0.07 5.12 0.52 -1.26 -1.52 118.95 128.13 2ia9 s ARG 10 Ca -0.02 1.63 0.04 0.00 -0.52 0.00 0.00 55.73 56.86 2ia9 s ARG 10 Cb -0.17 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.05 2ia9 s ARG 10 CO -0.07 0.34 -0.20 0.08 0.02 0.00 0.00 175.30 175.47 2ia9 s VAL 11 N -0.98 1.68 -0.32 3.52 1.01 0.74 -4.94 120.40 121.11 2ia9 s VAL 11 Ca 0.44 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2ia9 s VAL 11 Cb -0.28 -1.47 0.08 0.00 0.00 0.00 0.00 36.38 34.71 2ia9 s VAL 11 CO 0.35 0.48 0.02 0.20 0.00 0.00 0.00 175.10 176.15 2ia9 s ASN 12 N 0.32 4.80 -0.45 3.32 0.02 -1.26 -4.43 114.94 117.26 2ia9 s ASN 12 Ca -0.13 -1.65 0.07 0.00 -1.02 0.00 0.00 52.86 50.12 2ia9 s ASN 12 Cb -0.16 -1.67 0.30 0.00 0.02 0.00 0.00 41.25 39.74 2ia9 s ASN 12 CO 0.06 -0.32 0.95 0.41 0.02 0.00 0.00 177.10 178.22 2ia9 n THR 13 N 4.47 -0.08 0.00 1.60 -1.04 -1.26 -5.04 114.28 112.93 2ia9 n THR 13 Ca -0.07 -2.19 0.00 0.00 -2.04 0.00 0.00 64.05 59.74 2ia9 n THR 13 Cb 0.42 0.94 0.00 0.00 -1.82 0.00 0.00 70.33 69.87 2ia9 n THR 13 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2ia9 n ASP 14 N 0.77 0.00 -1.48 8.00 10.43 -1.26 -4.64 116.55 128.36 2ia9 n ASP 14 Ca 0.11 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.47 2ia9 n ASP 14 Cb 0.66 -0.06 0.00 0.00 1.84 0.00 0.00 41.12 43.56 2ia9 n ASP 14 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2ia9 n GLY 15 N -0.12 0.95 3.37 0.44 0.00 -1.26 -5.24 105.19 103.33 2ia9 n GLY 15 Ca 0.00 -1.78 -0.45 0.00 0.00 0.00 0.00 46.02 43.80 2ia9 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ia9 n ARG 16 N 0.00 3.51 0.00 1.61 1.74 -1.26 -4.98 116.66 117.28 2ia9 n ARG 16 Ca 0.00 -4.28 0.00 0.00 -0.77 0.00 0.00 57.85 52.80 2ia9 n ARG 16 Cb 0.00 -2.69 0.00 0.00 -1.02 0.00 0.00 32.46 28.75 2ia9 n ARG 16 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ia9 n ARG 18 N 3.49 0.00 -3.53 5.56 5.12 0.04 0.62 116.66 127.96 2ia9 n ARG 18 Ca 0.28 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 56.04 2ia9 n ARG 18 Cb 0.40 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.64 2ia9 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ia9 s ALA 19 N -0.91 -1.61 -0.07 7.54 0.00 -1.15 -0.19 121.76 125.37 2ia9 s ALA 19 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.98 2ia9 s ALA 19 Cb 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 2ia9 s ALA 19 CO 0.00 -0.44 -0.05 0.42 0.00 0.00 0.00 175.76 175.68 2ia9 s ILE 20 N -1.77 3.83 0.03 0.00 1.09 -0.57 -0.62 121.20 123.18 2ia9 s ILE 20 Ca -0.09 -0.44 -0.00 0.00 -1.10 0.00 0.00 60.65 59.03 2ia9 s ILE 20 Cb -0.01 -2.57 -0.03 0.00 -1.06 0.00 0.00 42.46 38.79 2ia9 s ILE 20 CO 0.04 0.60 -0.03 0.00 -0.10 0.00 0.00 174.94 175.45 2ia9 s ALA 21 N -0.83 0.24 -0.02 9.38 0.00 0.19 -0.78 121.76 129.94 2ia9 s ALA 21 Ca 0.13 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.36 2ia9 s ALA 21 Cb -0.11 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 2ia9 s ALA 21 CO 0.02 -0.21 -0.06 -1.12 0.00 0.00 0.00 175.76 174.39 2ia9 s SER 22 N -1.83 4.68 0.17 0.00 0.01 0.16 -1.25 113.70 115.64 2ia9 s SER 22 Ca -0.10 -0.09 0.06 0.00 1.31 0.00 0.00 55.95 57.13 2ia9 s SER 22 Cb -0.06 -1.13 -0.05 0.00 0.21 0.00 0.00 66.02 65.00 2ia9 s SER 22 CO -0.03 0.31 -0.12 0.27 0.41 0.00 0.00 173.24 174.08 2ia9 s ILE 23 N -0.94 1.41 -0.15 1.44 -4.36 0.32 -1.06 121.20 117.85 2ia9 s ILE 23 Ca 0.16 -2.11 0.01 0.00 -0.26 0.00 0.00 60.65 58.45 2ia9 s ILE 23 Cb -0.11 -1.92 0.01 0.00 1.25 0.00 0.00 42.46 41.69 2ia9 s ILE 23 CO 0.06 -0.67 -0.19 -0.89 0.24 0.00 0.00 174.94 173.48 2ia9 s THR 24 N -3.14 2.31 -0.09 8.37 2.01 0.74 -0.19 115.64 125.66 2ia9 s THR 24 Ca 0.19 -0.89 -0.16 0.00 0.31 0.00 0.00 61.69 61.14 2ia9 s THR 24 Cb 0.01 -1.95 -0.05 0.00 0.01 0.00 0.00 72.50 70.52 2ia9 s THR 24 CO 0.03 0.53 0.40 -0.76 -0.69 0.00 0.00 174.62 174.14 2ia9 s LEU 25 N 0.90 4.34 -1.58 4.42 1.43 0.24 -0.08 118.68 128.36 2ia9 s LEU 25 Ca -0.04 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 2ia9 s LEU 25 Cb -0.15 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.50 2ia9 s LEU 25 CO -0.03 0.14 0.00 0.47 0.23 0.00 0.00 176.35 177.17 2ia9 n ASP 26 N 2.97 -4.71 0.00 2.29 8.00 -0.50 -1.27 116.55 123.34 2ia9 n ASP 26 Ca -0.11 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2ia9 n ASP 26 Cb 0.52 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.54 2ia9 n ASP 26 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2ia9 n HIS 27 N -3.02 0.00 -0.99 1.24 8.25 -1.26 -4.77 115.22 114.67 2ia9 n HIS 27 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2ia9 n HIS 27 Cb 0.61 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.86 2ia9 n HIS 27 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2ia9 n GLU 28 N -1.29 0.00 -4.68 -0.41 0.28 -0.47 -5.10 120.64 108.97 2ia9 n GLU 28 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.72 2ia9 n GLU 28 Cb 0.21 -0.10 -0.17 0.00 1.43 0.00 0.00 31.44 32.81 2ia9 n GLU 28 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2ia9 s PHE 29 N 0.00 1.92 -0.10 -1.84 2.19 -0.39 -4.98 117.98 114.78 2ia9 s PHE 29 Ca 0.00 -0.81 0.02 0.00 0.33 0.00 0.00 56.93 56.46 2ia9 s PHE 29 Cb 0.00 -1.36 -0.02 0.00 -1.31 0.00 0.00 43.02 40.33 2ia9 s PHE 29 CO 0.00 -0.39 -0.14 0.08 1.83 0.00 0.00 175.22 176.60 2ia9 s VAL 30 N 0.72 2.99 -0.17 3.12 1.01 -1.26 0.83 120.40 127.63 2ia9 s VAL 30 Ca -0.12 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 2ia9 s VAL 30 Cb -0.16 -2.21 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 2ia9 s VAL 30 CO 0.03 0.55 -0.13 -0.69 0.00 0.00 0.00 175.10 174.86 2ia9 s VAL 31 N -0.05 2.78 0.59 2.92 1.01 0.74 -4.98 120.40 123.41 2ia9 s VAL 31 Ca -0.03 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.32 2ia9 s VAL 31 Cb -0.14 -2.20 0.09 0.00 0.00 0.00 0.00 36.38 34.13 2ia9 s VAL 31 CO 0.04 0.50 0.82 -1.00 0.00 0.00 0.00 175.10 175.45 2ia9 s HIS 32 N 1.02 1.38 -1.35 5.22 3.76 -1.26 -0.52 115.29 123.53 2ia9 s HIS 32 Ca -0.01 -0.69 -0.03 0.00 -0.15 0.00 0.00 55.06 54.18 2ia9 s HIS 32 Cb -0.15 -2.28 0.00 0.00 1.11 0.00 0.00 32.58 31.26 2ia9 s HIS 32 CO -0.03 -1.23 0.33 -0.25 -0.85 0.00 0.00 174.74 172.71 2ia9 n ASP 33 N -2.31 -5.25 -4.71 1.40 10.43 -1.18 -4.64 116.55 110.28 2ia9 n ASP 33 Ca 0.16 -0.16 -0.38 0.00 2.57 0.00 0.00 54.79 56.98 2ia9 n ASP 33 Cb 0.62 -4.18 -0.06 0.00 1.84 0.00 0.00 41.12 39.33 2ia9 n ASP 33 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2ia9 s ILE 34 N -3.00 5.21 -0.13 0.53 1.01 -0.38 -3.40 121.20 121.04 2ia9 s ILE 34 Ca 0.16 0.82 -0.07 0.00 0.00 0.00 0.00 60.65 61.57 2ia9 s ILE 34 Cb -0.07 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 2ia9 s ILE 34 CO 0.20 0.32 0.11 -0.13 0.00 0.00 0.00 174.94 175.45 2ia9 s ARG 35 N 0.75 3.50 -0.31 2.79 3.00 -0.26 0.53 118.95 128.94 2ia9 s ARG 35 Ca 0.23 -0.19 -0.11 0.00 0.00 0.00 0.00 55.73 55.65 2ia9 s ARG 35 Cb -0.15 -3.16 -0.02 0.00 0.00 0.00 0.00 34.95 31.62 2ia9 s ARG 35 CO 0.08 0.68 0.19 0.08 0.00 0.00 0.00 175.30 176.34 2ia9 s VAL 36 N -0.76 5.02 -0.09 3.52 1.01 0.20 -0.88 120.40 128.43 2ia9 s VAL 36 Ca 0.13 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2ia9 s VAL 36 Cb -0.12 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 2ia9 s VAL 36 CO 0.03 0.08 -0.23 -0.63 0.00 0.00 0.00 175.10 174.35 2ia9 s ILE 37 N 1.69 1.97 -0.87 2.22 1.01 -0.49 -0.78 121.20 125.96 2ia9 s ILE 37 Ca 0.06 -0.98 -0.25 0.00 0.00 0.00 0.00 60.65 59.48 2ia9 s ILE 37 Cb -0.17 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.61 2ia9 s ILE 37 CO 0.09 0.54 1.56 -0.62 0.00 0.00 0.00 174.94 176.51 2ia9 s ASP 38 N 0.29 5.98 1.01 3.58 2.15 0.20 -1.67 116.67 128.21 2ia9 s ASP 38 Ca -0.16 -0.81 -0.16 0.00 0.43 0.00 0.00 52.55 51.85 2ia9 s ASP 38 Cb -0.17 -2.56 0.20 0.00 -0.30 0.00 0.00 42.92 40.09 2ia9 s ASP 38 CO 0.08 -1.96 1.20 -0.83 -0.17 0.00 0.00 175.17 173.49 2ia9 s GLY 39 N 5.68 1.66 0.06 2.66 0.00 -0.38 -4.83 107.32 112.16 2ia9 s GLY 39 Ca 0.51 -0.91 -0.18 0.00 0.00 0.00 0.00 44.72 44.14 2ia9 s GLY 39 CO 0.02 -0.18 1.29 3.43 0.00 0.00 0.00 173.10 177.65 2ia9 h ASN 40 N -1.84 -0.85 0.00 1.64 2.35 -2.01 -1.06 115.58 113.80 2ia9 h ASN 40 Ca -0.46 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 2ia9 h ASN 40 Cb 1.28 0.32 0.00 0.00 0.05 0.00 0.00 38.32 39.97 2ia9 h ASN 40 CO 0.45 -0.28 0.00 0.59 -1.65 0.00 0.00 177.43 176.55 2ia9 n ASN 41 N -4.02 3.95 0.00 5.81 3.02 -1.26 -4.97 115.26 117.79 2ia9 n ASN 41 Ca -0.04 -2.12 0.00 0.00 -0.03 0.00 0.00 54.58 52.39 2ia9 n ASN 41 Cb 0.21 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 2ia9 n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ia9 n GLY 42 N 1.02 -2.75 3.68 7.41 0.00 -0.40 -4.96 105.19 109.17 2ia9 n GLY 42 Ca 0.00 -1.84 -0.47 0.00 0.00 0.00 0.00 46.02 43.71 2ia9 n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ia9 n LEU 43 N 0.00 3.38 -4.39 0.99 4.77 -1.26 -1.25 117.00 119.24 2ia9 n LEU 43 Ca 0.00 1.01 -0.20 0.00 -0.03 0.00 0.00 56.01 56.80 2ia9 n LEU 43 Cb 0.00 -1.41 -0.10 0.00 -2.33 0.00 0.00 43.42 39.58 2ia9 n LEU 43 CO 0.00 -0.12 -0.35 0.72 -1.33 0.00 0.00 177.39 176.31 2ia9 s PHE 44 N 2.75 1.80 0.09 -1.77 -0.71 -0.67 -4.89 117.98 114.59 2ia9 s PHE 44 Ca 0.86 -0.79 0.05 0.00 -1.04 0.00 0.00 56.93 56.02 2ia9 s PHE 44 Cb -0.66 -1.04 -0.04 0.00 -1.21 0.00 0.00 43.02 40.07 2ia9 s PHE 44 CO 0.45 0.15 -0.02 0.14 -1.34 0.00 0.00 175.22 174.60 2ia9 s VAL 45 N -3.17 3.91 0.00 -2.49 -7.23 -1.26 -1.39 120.40 108.77 2ia9 s VAL 45 Ca 0.29 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 2ia9 s VAL 45 Cb 0.05 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 34.13 2ia9 s VAL 45 CO 0.11 0.12 0.00 0.00 -0.31 0.00 0.00 175.10 175.01 2ia9 n ALA 46 N 0.58 0.00 -2.59 1.32 0.00 -0.06 -4.99 120.51 114.77 2ia9 n ALA 46 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.93 2ia9 n ALA 46 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 2ia9 n ALA 46 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2ia9 s PRO 48 N 0.14 4.47 0.14 0.00 0.02 -1.22 -1.10 135.00 137.44 2ia9 s PRO 48 Ca 0.00 1.00 0.09 0.00 0.02 0.00 0.00 61.00 62.11 2ia9 s PRO 48 Cb 0.00 -3.41 -0.04 0.00 0.02 0.00 0.00 34.50 31.07 2ia9 s PRO 48 CO 0.00 0.15 -0.21 -1.12 -0.33 0.00 0.00 177.00 175.49 2ia9 s SER 49 N 0.45 2.81 0.00 2.53 0.01 -1.26 -0.40 113.70 117.84 2ia9 s SER 49 Ca 0.39 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2ia9 s SER 49 Cb -0.19 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.87 2ia9 s SER 49 CO 0.21 0.05 0.00 1.17 0.41 0.00 0.00 173.24 175.08 2ia9 n LYS 50 N 0.69 0.00 0.00 12.44 3.00 -0.48 -4.85 118.16 128.96 2ia9 n LYS 50 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 2ia9 n LYS 50 Cb 0.55 -0.68 0.00 0.00 0.00 0.00 0.00 35.03 34.90 2ia9 n LYS 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2ia9 n GLU 56 N -1.94 0.00 -3.56 1.64 4.71 -1.26 -2.29 120.64 117.94 2ia9 n GLU 56 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.16 56.89 2ia9 n GLU 56 Cb 0.20 0.00 -0.16 0.00 -1.01 0.00 0.00 31.44 30.48 2ia9 n GLU 56 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 2ia9 s PHE 57 N -3.25 0.14 0.20 -0.32 -0.71 -1.26 -5.13 117.98 107.65 2ia9 s PHE 57 Ca 0.00 -0.42 0.03 0.00 -1.04 0.00 0.00 56.93 55.51 2ia9 s PHE 57 Cb 0.00 -0.71 -0.01 0.00 -1.21 0.00 0.00 43.02 41.09 2ia9 s PHE 57 CO 0.00 -0.64 0.13 -2.13 -1.34 0.00 0.00 175.22 171.24 2ia9 n ARG 58 N 5.28 0.43 -1.94 1.99 0.00 -0.97 -5.12 116.66 116.33 2ia9 n ARG 58 Ca -0.06 -1.89 -0.42 0.00 -0.00 0.00 0.00 57.85 55.48 2ia9 n ARG 58 Cb 0.47 1.33 -0.03 0.00 0.00 0.00 0.00 32.46 34.23 2ia9 n ARG 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2ia9 s ASP 59 N -2.34 6.60 0.26 6.15 1.01 -1.26 -1.38 116.67 125.71 2ia9 s ASP 59 Ca 0.18 2.56 0.10 0.00 0.71 0.00 0.00 52.55 56.10 2ia9 s ASP 59 Cb 0.01 -2.58 0.30 0.00 1.01 0.00 0.00 42.92 41.66 2ia9 s ASP 59 CO 0.13 -0.84 1.58 0.40 0.21 0.00 0.00 175.17 176.65 2ia9 h ILE 60 N 4.28 1.46 -3.28 0.77 2.04 -1.06 -3.42 117.51 118.30 2ia9 h ILE 60 Ca -0.43 -2.22 -0.58 0.00 1.00 0.00 0.00 64.86 62.64 2ia9 h ILE 60 Cb 1.20 2.20 -0.40 0.00 -0.74 0.00 0.00 36.82 39.08 2ia9 h ILE 60 CO 0.92 0.64 -0.76 0.28 0.00 0.00 0.00 178.15 179.22 2ia9 s THR 61 N -3.54 0.97 -0.22 -0.27 -1.32 -1.25 -5.09 115.64 104.92 2ia9 s THR 61 Ca -0.01 -1.25 0.01 0.00 -1.21 0.00 0.00 61.69 59.23 2ia9 s THR 61 Cb 0.12 -1.61 0.05 0.00 -1.51 0.00 0.00 72.50 69.55 2ia9 s THR 61 CO 0.77 -0.49 -0.10 -2.28 -2.21 0.00 0.00 174.62 170.31 2ia9 s HIS 62 N 1.60 2.65 0.10 9.09 2.46 -1.26 -4.76 115.29 125.17 2ia9 s HIS 62 Ca 0.05 -1.80 -0.31 0.00 0.47 0.00 0.00 55.06 53.47 2ia9 s HIS 62 Cb -0.18 -1.72 -0.09 0.00 -0.13 0.00 0.00 32.58 30.46 2ia9 s HIS 62 CO -0.18 -0.79 1.64 -1.25 -2.47 0.00 0.00 174.74 171.70 2ia9 s PRO 63 N 1.32 4.20 0.52 2.88 0.04 -1.26 -4.89 135.00 137.80 2ia9 s PRO 63 Ca -0.03 2.36 0.17 0.00 0.04 0.00 0.00 61.00 63.54 2ia9 s PRO 63 Cb -0.17 -3.47 1.29 0.00 0.04 0.00 0.00 34.50 32.19 2ia9 s PRO 63 CO -0.07 -0.71 2.13 0.82 0.04 0.00 0.00 177.00 179.21 2ia9 h ILE 64 N 4.57 0.96 -4.34 0.56 2.04 -1.98 -3.44 117.51 115.87 2ia9 h ILE 64 Ca -0.43 -0.12 -0.16 0.00 1.00 0.00 0.00 64.86 65.15 2ia9 h ILE 64 Cb 1.20 1.06 -0.15 0.00 -0.74 0.00 0.00 36.82 38.20 2ia9 h ILE 64 CO 0.93 0.03 -0.63 0.54 0.00 0.00 0.00 178.15 179.02 2ia9 s ASN 65 N -6.94 0.33 0.46 1.72 2.20 -1.26 -5.05 114.94 106.40 2ia9 s ASN 65 Ca -0.05 -1.13 0.18 0.00 -0.94 0.00 0.00 52.86 50.93 2ia9 s ASN 65 Cb 0.16 0.28 1.11 0.00 -2.00 0.00 0.00 41.25 40.80 2ia9 s ASN 65 CO 0.66 -0.71 1.99 0.77 -2.94 0.00 0.00 177.10 176.87 2ia9 h SER 66 N 2.91 0.00 0.05 3.54 4.64 -1.98 0.43 113.55 123.14 2ia9 h SER 66 Ca -0.35 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.76 2ia9 h SER 66 Cb 1.19 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2ia9 h SER 66 CO 0.60 0.19 -0.82 0.77 -0.87 0.00 0.00 176.83 176.70 2ia9 h SER 67 N 0.00 0.75 -0.10 4.97 4.64 -1.98 0.93 113.55 122.77 2ia9 h SER 67 Ca -0.00 -0.52 -0.18 0.00 -0.47 0.00 0.00 61.79 60.62 2ia9 h SER 67 Cb 0.38 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2ia9 h SER 67 CO 0.02 1.30 -0.58 0.00 -0.87 0.00 0.00 176.83 176.71 2ia9 h THR 68 N 0.41 1.30 -0.75 2.95 1.03 -1.83 -2.43 112.91 113.60 2ia9 h THR 68 Ca -0.06 -1.80 0.14 0.00 -0.01 0.00 0.00 66.41 64.68 2ia9 h THR 68 Cb 1.44 1.75 -0.10 0.00 -1.07 0.00 0.00 68.15 70.17 2ia9 h THR 68 CO 0.16 0.57 0.28 -0.09 -0.01 0.00 0.00 175.52 176.42 2ia9 h ARG 69 N 0.53 0.39 -0.10 0.00 2.43 -0.85 -2.52 114.38 114.26 2ia9 h ARG 69 Ca 0.00 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2ia9 h ARG 69 Cb 1.16 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 2ia9 h ARG 69 CO 0.12 0.26 -0.25 0.78 -1.51 0.00 0.00 179.97 179.37 2ia9 h GLY 70 N 0.41 -0.29 -0.72 2.80 0.00 -0.35 0.29 103.07 105.22 2ia9 h GLY 70 Ca 0.41 0.30 0.20 0.00 0.00 0.00 0.00 47.33 48.24 2ia9 h GLY 70 CO -0.42 -0.20 -0.09 0.50 0.00 0.00 0.00 176.54 176.33 2ia9 h LYS 71 N -0.33 0.03 0.10 4.80 1.57 -1.03 0.34 116.57 122.06 2ia9 h LYS 71 Ca 0.09 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2ia9 h LYS 71 Cb 0.46 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2ia9 h LYS 71 CO -0.29 0.02 -0.05 0.82 -0.57 0.00 0.00 179.45 179.38 2ia9 h ILE 72 N 0.03 0.73 -0.77 1.86 2.04 -0.78 -2.66 117.51 117.97 2ia9 h ILE 72 Ca 0.47 -1.31 0.14 0.00 1.00 0.00 0.00 64.86 65.16 2ia9 h ILE 72 Cb 0.84 1.31 -0.14 0.00 -0.74 0.00 0.00 36.82 38.08 2ia9 h ILE 72 CO -0.85 0.22 -0.28 1.56 0.00 0.00 0.00 178.15 178.80 2ia9 h GLN 73 N -0.96 -0.05 -0.16 2.37 4.20 -0.30 -1.02 115.11 119.20 2ia9 h GLN 73 Ca -0.01 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.71 2ia9 h GLN 73 Cb 0.47 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2ia9 h GLN 73 CO 0.02 -0.04 0.09 -0.44 -0.67 0.00 0.00 178.83 177.79 2ia9 h ASP 74 N -0.06 0.14 -0.38 1.46 3.32 -0.39 0.34 116.42 120.85 2ia9 h ASP 74 Ca 0.33 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 2ia9 h ASP 74 Cb 0.58 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2ia9 h ASP 74 CO -0.81 0.11 0.10 0.00 -1.72 0.00 0.00 179.24 176.91 2ia9 h ALA 75 N 1.07 1.32 0.19 3.45 0.00 -1.07 0.13 119.26 124.36 2ia9 h ALA 75 Ca 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2ia9 h ALA 75 Cb -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2ia9 h ALA 75 CO -0.03 0.48 -0.09 0.28 0.00 0.00 0.00 179.25 179.88 2ia9 h VAL 76 N 0.66 0.90 0.00 0.00 2.07 -0.55 -2.86 116.25 116.48 2ia9 h VAL 76 Ca 0.15 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2ia9 h VAL 76 Cb 0.27 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2ia9 h VAL 76 CO -0.00 0.16 -0.04 -0.07 0.02 0.00 0.00 177.57 177.64 2ia9 h LEU 77 N -0.65 0.00 -0.32 2.57 3.38 -0.06 -1.48 115.31 118.75 2ia9 h LEU 77 Ca -0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2ia9 h LEU 77 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2ia9 h LEU 77 CO 0.04 0.04 -0.19 0.78 0.09 0.00 0.00 178.44 179.21 2ia9 h ASN 78 N 0.00 0.72 0.23 -0.43 -0.26 -0.75 -2.27 115.58 112.83 2ia9 h ASN 78 Ca -0.00 -0.42 -0.09 0.00 -0.56 0.00 0.00 56.30 55.23 2ia9 h ASN 78 Cb 0.09 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 2ia9 h ASN 78 CO 0.01 0.99 -0.36 -0.08 -1.06 0.00 0.00 177.43 176.92 2ia9 h GLU 79 N 0.46 0.19 -0.24 0.81 4.57 -1.06 -2.08 114.58 117.24 2ia9 h GLU 79 Ca 0.07 -0.08 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 2ia9 h GLU 79 Cb 0.73 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 2ia9 h GLU 79 CO 0.05 0.53 -0.30 -0.92 -1.18 0.00 0.00 179.01 177.20 2ia9 h TYR 80 N 0.16 0.55 -0.72 0.92 5.03 -1.25 -2.72 116.97 118.94 2ia9 h TYR 80 Ca 0.02 -0.13 -0.18 0.00 2.58 0.00 0.00 58.73 61.02 2ia9 h TYR 80 Cb 0.72 -0.13 -0.11 0.00 1.55 0.00 0.00 36.73 38.76 2ia9 h TYR 80 CO 0.01 0.73 0.23 0.72 -1.32 0.00 0.00 178.16 178.53 2ia9 n HIS 81 N -4.09 2.44 -3.91 -3.82 8.25 -0.83 -4.91 115.22 108.36 2ia9 n HIS 81 Ca -0.01 -1.12 -0.31 0.00 -0.26 0.00 0.00 57.72 56.03 2ia9 n HIS 81 Cb 0.44 -0.67 -0.06 0.00 1.12 0.00 0.00 29.99 30.82 2ia9 n HIS 81 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2ia9 n ARG 82 N 0.01 -1.27 0.10 -0.41 1.74 -0.91 -4.79 116.66 111.12 2ia9 n ARG 82 Ca 0.39 0.10 -0.05 0.00 -0.77 0.00 0.00 57.85 57.52 2ia9 n ARG 82 Cb 1.37 -4.45 0.02 0.00 -1.02 0.00 0.00 32.46 28.38 2ia9 n ARG 82 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2ia9 h LEU 83 N -0.62 0.09 -0.04 0.55 4.07 -1.71 -3.17 115.31 114.48 2ia9 h LEU 83 Ca -0.43 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.46 2ia9 h LEU 83 Cb 1.23 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.95 2ia9 h LEU 83 CO 0.64 0.86 -0.01 0.61 -1.08 0.00 0.00 178.44 179.46 2ia9 n GLY 84 N 0.78 -1.13 3.59 0.83 0.00 -1.26 -4.84 105.19 103.15 2ia9 n GLY 84 Ca -0.02 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2ia9 n GLY 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ia9 s ASP 85 N -2.36 5.90 -0.16 1.61 -1.08 -1.20 -4.81 116.67 114.58 2ia9 s ASP 85 Ca 0.35 0.88 0.16 0.00 -0.52 0.00 0.00 52.55 53.42 2ia9 s ASP 85 Cb 0.21 -2.53 0.61 0.00 -1.46 0.00 0.00 42.92 39.75 2ia9 s ASP 85 CO 0.43 -1.78 1.52 0.35 0.52 0.00 0.00 175.17 176.21 2ia9 n THR 86 N 7.23 2.15 0.00 1.71 -2.24 -1.26 -5.15 114.28 116.72 2ia9 n THR 86 Ca 0.20 -1.52 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 2ia9 n THR 86 Cb 0.48 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 2ia9 n THR 86 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88