#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 0.00 5.20 0.00 -1.26 -5.26 120.51 119.20 2ia9 n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ia9 n ALA 0 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2ia9 n ALA 0 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ia9 n GLU 2 N 0.00 0.00 -2.29 0.00 2.13 -1.26 -5.09 120.64 114.13 2ia9 n GLU 2 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 2ia9 n GLU 2 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 2ia9 n GLU 2 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2ia9 s VAL 3 N 0.00 3.97 -0.01 6.31 1.01 -1.26 -1.23 120.40 129.19 2ia9 s VAL 3 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2ia9 s VAL 3 Cb 0.00 -3.81 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 2ia9 s VAL 3 CO 0.00 -0.06 0.22 0.41 0.00 0.00 0.00 175.10 175.67 2ia9 n THR 4 N 5.02 0.00 -3.64 3.92 -1.04 0.27 -4.95 114.28 113.86 2ia9 n THR 4 Ca 0.14 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.05 61.63 2ia9 n THR 4 Cb 0.44 1.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.91 2ia9 n THR 4 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2ia9 s ASP 5 N -0.58 -0.04 -0.01 8.00 3.68 -1.19 -4.89 116.67 121.64 2ia9 s ASP 5 Ca 0.00 0.04 0.01 0.00 2.13 0.00 0.00 52.55 54.73 2ia9 s ASP 5 Cb 0.00 0.03 0.01 0.00 -1.45 0.00 0.00 42.92 41.51 2ia9 s ASP 5 CO 0.00 -0.03 -0.02 -0.69 0.13 0.00 0.00 175.17 174.56 2ia9 s VAL 6 N -0.96 0.24 -0.10 1.11 1.01 -1.26 -0.25 120.40 120.19 2ia9 s VAL 6 Ca 0.09 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2ia9 s VAL 6 Cb -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 2ia9 s VAL 6 CO -0.08 0.11 -0.18 -0.60 0.00 0.00 0.00 175.10 174.34 2ia9 s ARG 7 N 0.36 3.02 -0.04 2.72 3.52 -0.41 -5.00 118.95 123.12 2ia9 s ARG 7 Ca -0.04 -0.77 -0.05 0.00 -0.13 0.00 0.00 55.73 54.74 2ia9 s ARG 7 Cb -0.06 -2.43 0.01 0.00 -1.56 0.00 0.00 34.95 30.91 2ia9 s ARG 7 CO -0.01 0.30 0.12 -1.17 -0.81 0.00 0.00 175.30 173.73 2ia9 s LEU 8 N 0.09 1.56 -0.15 -0.88 0.20 -1.26 -1.42 118.68 116.81 2ia9 s LEU 8 Ca -0.08 0.16 0.00 0.00 0.69 0.00 0.00 54.13 54.90 2ia9 s LEU 8 Cb -0.15 0.44 0.02 0.00 -0.43 0.00 0.00 46.19 46.08 2ia9 s LEU 8 CO 0.05 -0.10 -0.14 -0.60 -0.29 0.00 0.00 176.35 175.28 2ia9 s ARG 9 N -0.19 2.29 0.23 1.98 3.52 -0.57 -5.01 118.95 121.20 2ia9 s ARG 9 Ca -0.03 -0.57 -0.30 0.00 -0.13 0.00 0.00 55.73 54.70 2ia9 s ARG 9 Cb -0.02 -2.12 -0.09 0.00 -1.56 0.00 0.00 34.95 31.16 2ia9 s ARG 9 CO 0.00 -0.25 1.23 0.50 -0.81 0.00 0.00 175.30 175.98 2ia9 s ARG 10 N 1.48 4.46 -0.20 5.12 3.52 -1.26 -1.66 118.95 130.42 2ia9 s ARG 10 Ca 0.05 1.98 -0.08 0.00 -0.13 0.00 0.00 55.73 57.55 2ia9 s ARG 10 Cb -0.13 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 2ia9 s ARG 10 CO -0.11 -0.10 0.07 0.08 -0.81 0.00 0.00 175.30 174.44 2ia9 s VAL 11 N -0.40 4.72 -0.05 7.11 1.01 -0.22 -4.92 120.40 127.66 2ia9 s VAL 11 Ca 0.52 -0.05 0.14 0.00 0.00 0.00 0.00 61.98 62.59 2ia9 s VAL 11 Cb -0.35 -3.15 -0.22 0.00 0.00 0.00 0.00 36.38 32.67 2ia9 s VAL 11 CO 0.41 0.42 0.32 0.59 0.00 0.00 0.00 175.10 176.84 2ia9 n ASN 12 N 3.89 1.71 -4.68 3.32 3.02 -1.26 -4.61 115.26 116.65 2ia9 n ASN 12 Ca -0.16 -0.03 -0.47 0.00 -0.03 0.00 0.00 54.58 53.89 2ia9 n ASN 12 Cb 0.52 1.62 -0.04 0.00 -0.61 0.00 0.00 39.78 41.27 2ia9 n ASN 12 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2ia9 n THR 13 N -1.97 0.41 -1.23 3.41 -1.04 -1.26 -4.98 114.28 107.62 2ia9 n THR 13 Ca -0.02 -0.07 -0.29 0.00 -2.04 0.00 0.00 64.05 61.62 2ia9 n THR 13 Cb 0.36 -1.82 0.16 0.00 -1.82 0.00 0.00 70.33 67.21 2ia9 n THR 13 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2ia9 s ASP 14 N 3.07 2.94 0.00 8.00 -1.08 -1.26 -4.88 116.67 123.46 2ia9 s ASP 14 Ca 0.88 1.22 0.00 0.00 -0.52 0.00 0.00 52.55 54.13 2ia9 s ASP 14 Cb -0.66 -1.89 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 2ia9 s ASP 14 CO 0.46 -2.94 0.00 0.61 0.52 0.00 0.00 175.17 173.82 2ia9 n GLY 15 N -1.25 0.66 2.24 2.66 0.00 -1.26 -5.16 105.19 103.07 2ia9 n GLY 15 Ca 0.06 -2.11 -0.22 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.19 2.47 0.00 1.61 5.12 -1.26 -4.94 116.66 119.47 2ia9 n ARG 16 Ca 0.00 -1.76 0.00 0.00 -1.93 0.00 0.00 57.85 54.16 2ia9 n ARG 16 Cb 0.00 -2.16 0.00 0.00 -1.16 0.00 0.00 32.46 29.14 2ia9 n ARG 16 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2ia9 n ARG 18 N 1.94 0.00 -3.55 5.56 5.12 0.61 -0.48 116.66 125.86 2ia9 n ARG 18 Ca 0.50 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 56.33 2ia9 n ARG 18 Cb 0.68 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.95 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 0.00 -1.91 -0.03 7.54 0.00 -1.12 -1.05 121.76 125.20 2ia9 s ALA 19 Ca 0.00 1.34 0.05 0.00 0.00 0.00 0.00 51.96 53.35 2ia9 s ALA 19 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2ia9 s ALA 19 CO 0.00 -0.52 -0.18 -1.50 0.00 0.00 0.00 175.76 173.56 2ia9 s ILE 20 N -2.22 1.44 0.20 0.00 2.07 -0.66 0.06 121.20 122.08 2ia9 s ILE 20 Ca 0.03 -0.76 -0.07 0.00 -1.41 0.00 0.00 60.65 58.45 2ia9 s ILE 20 Cb -0.01 -1.21 -0.02 0.00 0.13 0.00 0.00 42.46 41.35 2ia9 s ILE 20 CO -0.04 0.41 0.28 0.00 -1.91 0.00 0.00 174.94 173.68 2ia9 s ALA 21 N -0.25 0.39 0.07 1.50 0.00 0.12 -1.51 121.76 122.07 2ia9 s ALA 21 Ca 0.03 -1.21 0.06 0.00 0.00 0.00 0.00 51.96 50.84 2ia9 s ALA 21 Cb -0.09 1.12 -0.03 0.00 0.00 0.00 0.00 23.12 24.13 2ia9 s ALA 21 CO 0.00 -0.69 -0.17 -1.54 0.00 0.00 0.00 175.76 173.36 2ia9 s SER 22 N -3.06 2.04 0.05 0.00 1.04 -0.51 -1.14 113.70 112.13 2ia9 s SER 22 Ca 0.27 -0.58 0.04 0.00 0.48 0.00 0.00 55.95 56.17 2ia9 s SER 22 Cb 0.04 -0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 2ia9 s SER 22 CO 0.08 0.03 -0.04 0.27 0.98 0.00 0.00 173.24 174.55 2ia9 s ILE 23 N -1.06 3.79 -0.30 -1.02 -4.36 -0.41 -1.29 121.20 116.55 2ia9 s ILE 23 Ca 0.03 -0.93 -0.09 0.00 -0.26 0.00 0.00 60.65 59.41 2ia9 s ILE 23 Cb -0.09 -2.74 -0.01 0.00 1.25 0.00 0.00 42.46 40.88 2ia9 s ILE 23 CO 0.02 0.24 0.12 -0.89 0.24 0.00 0.00 174.94 174.68 2ia9 s THR 24 N -1.16 4.41 -0.19 8.37 2.01 0.66 -0.65 115.64 129.08 2ia9 s THR 24 Ca 0.21 -0.45 -0.14 0.00 0.31 0.00 0.00 61.69 61.62 2ia9 s THR 24 Cb -0.11 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 2ia9 s THR 24 CO 0.13 0.11 0.31 -0.76 -0.69 0.00 0.00 174.62 173.72 2ia9 s LEU 25 N 1.59 4.18 -1.42 4.42 1.43 0.21 0.98 118.68 130.07 2ia9 s LEU 25 Ca 0.04 0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 2ia9 s LEU 25 Cb -0.17 -2.38 0.08 0.00 0.03 0.00 0.00 46.19 43.75 2ia9 s LEU 25 CO 0.05 0.02 0.65 0.47 0.23 0.00 0.00 176.35 177.77 2ia9 n ASP 26 N 4.11 -4.16 -0.88 2.29 8.00 -0.37 -0.80 116.55 124.73 2ia9 n ASP 26 Ca -0.11 -0.54 -0.12 0.00 0.71 0.00 0.00 54.79 54.73 2ia9 n ASP 26 Cb 0.52 -3.40 -0.05 0.00 -0.02 0.00 0.00 41.12 38.17 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 -4.22 0.00 0.00 1.24 8.25 -1.26 -4.69 115.22 114.55 2ia9 n HIS 27 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2ia9 n HIS 27 Cb 0.54 -2.37 0.00 0.00 1.12 0.00 0.00 29.99 29.28 2ia9 n HIS 27 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2ia9 n GLU 28 N -1.98 0.00 -4.20 -0.41 2.13 -0.88 -5.09 120.64 110.21 2ia9 n GLU 28 Ca -0.12 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.37 2ia9 n GLU 28 Cb 0.46 -0.13 -0.16 0.00 0.27 0.00 0.00 31.44 31.89 2ia9 n GLU 28 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2ia9 s PHE 29 N -1.67 2.79 -0.15 4.31 2.19 0.02 -4.95 117.98 120.52 2ia9 s PHE 29 Ca 0.00 -1.44 -0.06 0.00 0.33 0.00 0.00 56.93 55.76 2ia9 s PHE 29 Cb 0.00 -1.93 -0.04 0.00 -1.31 0.00 0.00 43.02 39.74 2ia9 s PHE 29 CO 0.00 -0.71 0.07 0.08 1.83 0.00 0.00 175.22 176.49 2ia9 s VAL 30 N 1.21 4.91 -0.14 3.12 1.01 -1.26 0.65 120.40 129.91 2ia9 s VAL 30 Ca 0.03 -0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.02 2ia9 s VAL 30 Cb -0.14 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 2ia9 s VAL 30 CO -0.09 0.53 -0.17 -0.69 0.00 0.00 0.00 175.10 174.68 2ia9 s VAL 31 N -0.22 2.56 0.32 2.92 1.01 0.17 -4.97 120.40 122.19 2ia9 s VAL 31 Ca 0.08 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.31 2ia9 s VAL 31 Cb -0.12 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 2ia9 s VAL 31 CO 0.01 0.53 0.44 -1.00 0.00 0.00 0.00 175.10 175.08 2ia9 s HIS 32 N 0.65 3.14 -0.79 5.22 3.76 -1.26 -1.29 115.29 124.72 2ia9 s HIS 32 Ca -0.09 -0.20 -0.05 0.00 -0.15 0.00 0.00 55.06 54.57 2ia9 s HIS 32 Cb -0.16 -1.91 0.01 0.00 1.11 0.00 0.00 32.58 31.62 2ia9 s HIS 32 CO 0.02 0.07 0.68 -0.25 -0.85 0.00 0.00 174.74 174.42 2ia9 n ASP 33 N -1.58 -4.54 -4.71 1.40 8.00 -1.13 -4.61 116.55 109.39 2ia9 n ASP 33 Ca -0.02 -0.31 -0.38 0.00 0.71 0.00 0.00 54.79 54.80 2ia9 n ASP 33 Cb 0.58 -3.13 -0.06 0.00 -0.02 0.00 0.00 41.12 38.49 2ia9 n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ia9 s ILE 34 N -3.18 5.20 -0.16 0.53 1.01 -0.29 -3.61 121.20 120.70 2ia9 s ILE 34 Ca 0.34 0.84 -0.06 0.00 0.00 0.00 0.00 60.65 61.77 2ia9 s ILE 34 Cb -0.15 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2ia9 s ILE 34 CO 0.42 0.31 0.03 -0.13 0.00 0.00 0.00 174.94 175.56 2ia9 s ARG 35 N 0.83 3.74 -0.06 2.79 3.00 -0.87 0.10 118.95 128.48 2ia9 s ARG 35 Ca 0.23 -0.40 -0.21 0.00 0.00 0.00 0.00 55.73 55.35 2ia9 s ARG 35 Cb -0.15 -3.06 -0.04 0.00 0.00 0.00 0.00 34.95 31.69 2ia9 s ARG 35 CO 0.09 0.34 0.58 0.08 0.00 0.00 0.00 175.30 176.39 2ia9 s VAL 36 N 0.15 5.04 0.01 3.52 1.01 0.11 -1.20 120.40 129.05 2ia9 s VAL 36 Ca 0.02 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.22 2ia9 s VAL 36 Cb -0.13 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 2ia9 s VAL 36 CO 0.01 0.34 -0.06 -0.63 0.00 0.00 0.00 175.10 174.77 2ia9 s ILE 37 N 0.35 0.45 -0.76 2.22 1.01 -0.39 -0.28 121.20 123.80 2ia9 s ILE 37 Ca 0.31 -0.46 -0.18 0.00 0.00 0.00 0.00 60.65 60.33 2ia9 s ILE 37 Cb -0.17 -0.42 0.14 0.00 0.01 0.00 0.00 42.46 42.01 2ia9 s ILE 37 CO 0.15 -0.02 0.86 -0.62 0.00 0.00 0.00 174.94 175.32 2ia9 s ASP 38 N -0.51 6.46 0.17 3.58 3.68 0.36 -1.09 116.67 129.31 2ia9 s ASP 38 Ca -0.01 -1.91 0.00 0.00 2.13 0.00 0.00 52.55 52.76 2ia9 s ASP 38 Cb -0.04 -2.32 -0.04 0.00 -1.45 0.00 0.00 42.92 39.07 2ia9 s ASP 38 CO -0.00 -0.99 0.33 -0.83 0.13 0.00 0.00 175.17 173.82 2ia9 s GLY 39 N 3.29 1.83 -0.45 2.66 0.00 -1.14 -4.77 107.32 108.74 2ia9 s GLY 39 Ca 0.20 -0.88 -0.03 0.00 0.00 0.00 0.00 44.72 44.00 2ia9 s GLY 39 CO -0.02 -0.85 1.77 1.16 0.00 0.00 0.00 173.10 175.16 2ia9 n ASN 40 N -0.48 3.06 0.00 1.64 0.23 -1.26 -1.13 115.26 117.32 2ia9 n ASN 40 Ca -0.05 -2.12 0.00 0.00 -0.53 0.00 0.00 54.58 51.87 2ia9 n ASN 40 Cb 0.53 -0.81 0.00 0.00 -2.08 0.00 0.00 39.78 37.42 2ia9 n ASN 40 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2ia9 n ASN 41 N 3.94 0.00 0.00 0.53 3.02 -1.26 -5.16 115.26 116.33 2ia9 n ASN 41 Ca 0.27 -0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2ia9 n ASN 41 Cb 0.18 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.00 2.71 3.77 7.41 0.00 -0.29 -5.07 105.19 113.72 2ia9 n GLY 42 Ca 0.00 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 2ia9 n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ia9 s LEU 43 N 0.00 4.37 0.08 0.99 1.02 -1.26 -2.87 118.68 121.02 2ia9 s LEU 43 Ca 0.00 2.58 -0.11 0.00 0.02 0.00 0.00 54.13 56.62 2ia9 s LEU 43 Cb 0.00 -3.75 0.01 0.00 0.02 0.00 0.00 46.19 42.47 2ia9 s LEU 43 CO 0.00 -0.57 0.25 0.72 0.02 0.00 0.00 176.35 176.77 2ia9 s PHE 44 N -1.21 0.04 -0.22 0.29 -0.71 -0.25 -4.97 117.98 110.95 2ia9 s PHE 44 Ca 0.51 -0.38 -0.06 0.00 -1.04 0.00 0.00 56.93 55.96 2ia9 s PHE 44 Cb -0.37 0.03 -0.02 0.00 -1.21 0.00 0.00 43.02 41.44 2ia9 s PHE 44 CO 0.49 -0.56 0.02 0.08 -1.34 0.00 0.00 175.22 173.91 2ia9 s VAL 45 N -3.55 4.00 0.00 -2.49 1.01 -1.26 -1.27 120.40 116.84 2ia9 s VAL 45 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2ia9 s VAL 45 Cb 0.03 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.57 2ia9 s VAL 45 CO -0.10 0.39 0.00 0.00 0.00 0.00 0.00 175.10 175.39 2ia9 n ALA 46 N 4.64 0.00 -2.67 5.51 0.00 -0.34 -4.97 120.51 122.68 2ia9 n ALA 46 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.89 2ia9 n ALA 46 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 2ia9 n ALA 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ia9 s PRO 48 N 3.25 4.16 0.22 0.00 0.04 -1.24 -2.05 135.00 139.39 2ia9 s PRO 48 Ca 0.00 0.20 0.11 0.00 0.04 0.00 0.00 61.00 61.35 2ia9 s PRO 48 Cb 0.00 -3.54 -0.05 0.00 0.04 0.00 0.00 34.50 30.95 2ia9 s PRO 48 CO 0.00 -0.06 -0.21 0.45 0.04 0.00 0.00 177.00 177.22 2ia9 s SER 49 N 1.08 3.33 -0.07 6.66 0.15 -1.26 -0.16 113.70 123.43 2ia9 s SER 49 Ca 0.19 -0.93 0.02 0.00 0.70 0.00 0.00 55.95 55.94 2ia9 s SER 49 Cb -0.15 -0.25 0.01 0.00 -1.71 0.00 0.00 66.02 63.92 2ia9 s SER 49 CO 0.08 0.06 -0.14 -0.75 1.20 0.00 0.00 173.24 173.69 2ia9 s LYS 50 N -3.00 1.91 0.04 5.44 2.20 0.15 -4.83 119.74 121.65 2ia9 s LYS 50 Ca 0.23 -0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 55.05 2ia9 s LYS 50 Cb -0.06 -1.55 -0.05 0.00 -1.51 0.00 0.00 37.83 34.66 2ia9 s LYS 50 CO 0.11 0.04 1.14 -0.98 -0.36 0.00 0.00 175.35 175.31 2ia9 s ARG 51 N 0.63 4.46 0.39 4.03 3.03 -1.26 -1.02 118.95 129.21 2ia9 s ARG 51 Ca -0.15 1.67 -0.23 0.00 2.03 0.00 0.00 55.73 59.06 2ia9 s ARG 51 Cb -0.16 -3.39 -0.10 0.00 -1.03 0.00 0.00 34.95 30.26 2ia9 s ARG 51 CO 0.04 -0.22 0.94 0.95 -1.13 0.00 0.00 175.30 175.88 2ia9 s THR 52 N 1.13 4.34 -1.04 4.99 -4.23 0.15 -4.96 115.64 116.02 2ia9 s THR 52 Ca 0.57 1.59 -0.25 0.00 -1.18 0.00 0.00 61.69 62.42 2ia9 s THR 52 Cb -0.27 -3.75 -0.17 0.00 1.34 0.00 0.00 72.50 69.65 2ia9 s THR 52 CO 0.28 -0.14 1.98 -2.65 -0.54 0.00 0.00 174.62 173.55 2ia9 n PRO 53 N -0.18 0.95 0.00 3.99 -0.02 -1.26 -1.50 135.00 136.98 2ia9 n PRO 53 Ca 0.05 -2.05 0.00 0.00 -2.02 0.00 0.00 63.50 59.48 2ia9 n PRO 53 Cb 0.53 -3.67 0.00 0.00 -0.02 0.00 0.00 33.50 30.34 2ia9 n PRO 53 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2ia9 n ASP 54 N 15.54 0.00 0.00 2.55 -0.08 -1.26 -5.00 116.55 128.29 2ia9 n ASP 54 Ca 0.44 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.72 2ia9 n ASP 54 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 2ia9 n ASP 54 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ia9 n GLY 55 N 0.00 2.69 3.83 0.27 0.00 -0.56 -5.00 105.19 106.42 2ia9 n GLY 55 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2ia9 n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ia9 s GLU 56 N -0.02 0.98 -0.04 1.61 2.02 -1.25 -4.74 118.70 117.26 2ia9 s GLU 56 Ca 0.00 0.04 0.02 0.00 0.02 0.00 0.00 54.97 55.05 2ia9 s GLU 56 Cb 0.00 -1.84 0.01 0.00 0.10 0.00 0.00 34.13 32.40 2ia9 s GLU 56 CO 0.00 -2.25 -0.08 -0.06 0.02 0.00 0.00 175.26 172.89 2ia9 s PHE 57 N -3.47 0.97 0.03 1.61 0.40 -1.26 0.35 117.98 116.61 2ia9 s PHE 57 Ca 0.66 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.73 2ia9 s PHE 57 Cb -0.11 -0.76 -0.02 0.00 0.51 0.00 0.00 43.02 42.64 2ia9 s PHE 57 CO 0.52 -0.19 -0.10 1.03 0.70 0.00 0.00 175.22 177.19 2ia9 s ARG 58 N 0.66 0.66 0.50 0.44 1.81 -0.18 -4.97 118.95 117.87 2ia9 s ARG 58 Ca -0.10 -0.67 -0.21 0.00 -1.72 0.00 0.00 55.73 53.03 2ia9 s ARG 58 Cb -0.13 -0.57 -0.07 0.00 -0.45 0.00 0.00 34.95 33.73 2ia9 s ARG 58 CO 0.01 0.13 1.11 0.16 -0.68 0.00 0.00 175.30 176.03 2ia9 s ASP 59 N -1.17 6.02 0.26 0.23 3.84 -1.26 0.33 116.67 124.92 2ia9 s ASP 59 Ca -0.03 2.13 0.18 0.00 -0.00 0.00 0.00 52.55 54.83 2ia9 s ASP 59 Cb -0.08 -2.58 0.08 0.00 -1.38 0.00 0.00 42.92 38.96 2ia9 s ASP 59 CO 0.01 -1.01 1.31 0.40 -0.00 0.00 0.00 175.17 175.88 2ia9 h ILE 60 N 1.48 0.50 -3.21 2.11 2.04 -0.87 -3.42 117.51 116.13 2ia9 h ILE 60 Ca -0.50 -1.76 -0.57 0.00 1.00 0.00 0.00 64.86 63.03 2ia9 h ILE 60 Cb 1.25 2.14 -0.40 0.00 -0.74 0.00 0.00 36.82 39.07 2ia9 h ILE 60 CO 0.58 0.28 -0.76 -0.89 0.00 0.00 0.00 178.15 177.37 2ia9 s THR 61 N -3.06 0.87 -0.22 -0.27 2.01 -1.25 -5.09 115.64 108.63 2ia9 s THR 61 Ca 0.03 -1.26 -0.00 0.00 0.31 0.00 0.00 61.69 60.77 2ia9 s THR 61 Cb 0.07 -1.58 0.02 0.00 0.01 0.00 0.00 72.50 71.03 2ia9 s THR 61 CO 0.75 -0.56 -0.12 -2.28 -0.69 0.00 0.00 174.62 171.72 2ia9 s HIS 62 N 1.64 2.98 0.29 4.92 2.46 -1.26 -4.73 115.29 121.59 2ia9 s HIS 62 Ca 0.07 -1.63 -0.29 0.00 0.47 0.00 0.00 55.06 53.68 2ia9 s HIS 62 Cb -0.17 -1.99 -0.10 0.00 -0.13 0.00 0.00 32.58 30.19 2ia9 s HIS 62 CO -0.21 -0.76 1.13 -1.25 -2.47 0.00 0.00 174.74 171.17 2ia9 s PRO 63 N 1.30 4.59 -0.06 2.88 0.04 -1.26 -5.00 135.00 137.48 2ia9 s PRO 63 Ca 0.01 1.85 -0.17 0.00 0.04 0.00 0.00 61.00 62.74 2ia9 s PRO 63 Cb -0.15 -3.15 -0.30 0.00 0.04 0.00 0.00 34.50 30.93 2ia9 s PRO 63 CO -0.08 0.15 0.72 0.82 0.04 0.00 0.00 177.00 178.65 2ia9 h ILE 64 N 3.06 1.17 -3.03 0.56 2.04 -1.99 -3.46 117.51 115.87 2ia9 h ILE 64 Ca -0.47 -2.49 -0.47 0.00 1.00 0.00 0.00 64.86 62.43 2ia9 h ILE 64 Cb 1.21 2.89 0.03 0.00 -0.74 0.00 0.00 36.82 40.21 2ia9 h ILE 64 CO 0.67 0.75 -0.06 0.20 0.00 0.00 0.00 178.15 179.70 2ia9 s ASN 65 N -7.13 6.06 0.34 1.72 0.02 -1.26 -4.99 114.94 109.69 2ia9 s ASN 65 Ca -0.16 0.52 0.16 0.00 -1.02 0.00 0.00 52.86 52.35 2ia9 s ASN 65 Cb 0.04 -1.87 0.56 0.00 0.02 0.00 0.00 41.25 40.00 2ia9 s ASN 65 CO 0.82 -0.57 1.69 0.77 0.02 0.00 0.00 177.10 179.83 2ia9 h SER 66 N 0.42 0.00 -0.22 -1.22 4.64 -1.99 -2.93 113.55 112.26 2ia9 h SER 66 Ca -0.47 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 2ia9 h SER 66 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 2ia9 h SER 66 CO 0.60 0.46 0.06 0.77 -0.87 0.00 0.00 176.83 177.85 2ia9 h SER 67 N 0.00 0.32 -0.02 4.97 4.64 -1.98 0.26 113.55 121.75 2ia9 h SER 67 Ca -0.00 -0.22 -0.14 0.00 -0.47 0.00 0.00 61.79 60.96 2ia9 h SER 67 Cb 0.96 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 2ia9 h SER 67 CO 0.06 0.46 -0.44 0.71 -0.87 0.00 0.00 176.83 176.75 2ia9 h THR 68 N 0.17 1.31 -0.22 2.95 1.35 -1.97 0.84 112.91 117.33 2ia9 h THR 68 Ca 0.07 -1.62 0.06 0.00 -0.55 0.00 0.00 66.41 64.36 2ia9 h THR 68 Cb 0.26 1.61 -0.07 0.00 -1.73 0.00 0.00 68.15 68.22 2ia9 h THR 68 CO -0.00 0.51 -0.33 -0.09 -0.25 0.00 0.00 175.52 175.35 2ia9 h ARG 69 N 0.45 -0.35 0.00 4.72 2.43 -1.35 -0.31 114.38 119.97 2ia9 h ARG 69 Ca 0.03 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2ia9 h ARG 69 Cb 0.95 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2ia9 h ARG 69 CO 0.08 -0.23 -0.02 0.78 -1.51 0.00 0.00 179.97 179.08 2ia9 h GLY 70 N -0.36 0.00 2.00 2.80 0.00 0.18 0.43 103.07 108.12 2ia9 h GLY 70 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.25 2ia9 h GLY 70 CO -0.42 0.00 -0.94 0.07 0.00 0.00 0.00 176.54 175.25 2ia9 h LYS 71 N 0.00 0.00 0.05 4.80 2.10 0.26 0.35 116.57 124.13 2ia9 h LYS 71 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ia9 h LYS 71 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 2ia9 h LYS 71 CO 0.00 0.94 -0.02 0.82 -2.00 0.00 0.00 179.45 179.19 2ia9 h ILE 72 N 0.00 1.18 -0.04 0.07 2.04 0.03 -3.07 117.51 117.73 2ia9 h ILE 72 Ca -0.01 -0.80 0.03 0.00 1.00 0.00 0.00 64.86 65.08 2ia9 h ILE 72 Cb 1.71 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 39.47 2ia9 h ILE 72 CO 0.12 0.20 -0.13 -0.61 0.00 0.00 0.00 178.15 177.73 2ia9 h GLN 73 N -0.43 -0.19 0.02 2.37 4.15 -0.07 -2.50 115.11 118.47 2ia9 h GLN 73 Ca -0.01 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.45 2ia9 h GLN 73 Cb 0.38 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.06 2ia9 h GLN 73 CO 0.01 -0.13 -0.41 -0.44 -1.93 0.00 0.00 178.83 175.93 2ia9 h ASP 74 N -0.20 -1.24 -0.75 -0.69 3.32 -1.03 0.20 116.42 116.03 2ia9 h ASP 74 Ca 0.06 0.15 0.17 0.00 0.02 0.00 0.00 57.03 57.43 2ia9 h ASP 74 Cb 0.28 0.48 -0.13 0.00 0.22 0.00 0.00 39.33 40.18 2ia9 h ASP 74 CO -0.16 -0.46 0.02 0.00 -1.72 0.00 0.00 179.24 176.92 2ia9 h ALA 75 N -0.03 0.80 -0.12 3.45 0.00 -1.42 0.81 119.26 122.75 2ia9 h ALA 75 Ca 0.04 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2ia9 h ALA 75 Cb 0.65 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2ia9 h ALA 75 CO -0.30 -0.42 -0.17 0.28 0.00 0.00 0.00 179.25 178.64 2ia9 h VAL 76 N 0.11 1.37 -0.61 0.00 2.07 -0.86 -1.83 116.25 116.50 2ia9 h VAL 76 Ca 0.42 -1.38 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 2ia9 h VAL 76 Cb 0.73 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 2ia9 h VAL 76 CO -0.66 0.40 0.04 -0.07 0.02 0.00 0.00 177.57 177.31 2ia9 h LEU 77 N -0.09 0.99 -0.35 2.57 3.38 -0.11 -1.20 115.31 120.50 2ia9 h LEU 77 Ca 0.01 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.78 2ia9 h LEU 77 Cb 0.72 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2ia9 h LEU 77 CO 0.04 1.02 0.07 0.78 0.09 0.00 0.00 178.44 180.44 2ia9 h ASN 78 N 0.95 0.01 -0.31 -0.43 -0.26 0.67 -0.71 115.58 115.50 2ia9 h ASN 78 Ca 0.18 0.06 -0.11 0.00 -0.56 0.00 0.00 56.30 55.87 2ia9 h ASN 78 Cb 0.49 0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.82 2ia9 h ASN 78 CO 0.02 0.04 -0.22 -0.08 -1.06 0.00 0.00 177.43 176.13 2ia9 h GLU 79 N 0.19 0.69 0.06 0.81 4.57 -1.21 0.25 114.58 119.94 2ia9 h GLU 79 Ca 0.17 -0.33 0.01 0.00 -1.18 0.00 0.00 59.36 58.03 2ia9 h GLU 79 Cb 0.19 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.73 2ia9 h GLU 79 CO -0.22 0.94 -0.48 -0.92 -1.18 0.00 0.00 179.01 177.15 2ia9 h TYR 80 N 0.45 -1.41 -0.45 0.92 5.03 -0.96 0.31 116.97 120.86 2ia9 h TYR 80 Ca 0.06 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 2ia9 h TYR 80 Cb 0.77 0.61 -0.02 0.00 1.55 0.00 0.00 36.73 39.64 2ia9 h TYR 80 CO 0.07 -0.53 0.23 0.45 -1.32 0.00 0.00 178.16 177.05 2ia9 h HIS 81 N -0.65 0.61 -0.18 -3.82 3.86 -1.02 -1.28 115.15 112.68 2ia9 h HIS 81 Ca 0.00 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 2ia9 h HIS 81 Cb 0.67 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 2ia9 h HIS 81 CO -0.47 0.44 -0.19 -0.09 0.86 0.00 0.00 177.93 178.48 2ia9 h ARG 82 N 0.63 0.31 -0.36 2.45 2.43 0.08 -1.15 114.38 118.76 2ia9 h ARG 82 Ca 0.16 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 2ia9 h ARG 82 Cb 0.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2ia9 h ARG 82 CO -0.02 0.50 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.56 2ia9 h LEU 83 N 0.29 0.81 -0.21 3.80 3.38 0.39 -1.52 115.31 122.24 2ia9 h LEU 83 Ca 0.05 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2ia9 h LEU 83 Cb 0.51 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 2ia9 h LEU 83 CO 0.03 1.05 -0.48 1.23 0.09 0.00 0.00 178.44 180.37 2ia9 h GLY 84 N 0.94 -0.83 -2.38 0.83 0.00 -0.30 -2.78 103.07 98.56 2ia9 h GLY 84 Ca 0.08 0.60 0.00 0.00 0.00 0.00 0.00 47.33 48.00 2ia9 h GLY 84 CO 0.07 -0.20 0.00 2.09 0.00 0.00 0.00 176.54 178.50 2ia9 n ASP 85 N -5.43 3.50 -0.01 0.19 3.85 -0.53 -1.59 116.55 116.53 2ia9 n ASP 85 Ca -0.04 -1.99 -0.12 0.00 -0.71 0.00 0.00 54.79 51.93 2ia9 n ASP 85 Cb 0.37 -0.40 -0.14 0.00 -1.35 0.00 0.00 41.12 39.60 2ia9 n ASP 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 2ia9 n THR 86 N 1.43 1.67 -0.07 2.12 -1.04 -0.58 -3.57 114.28 114.24 2ia9 n THR 86 Ca 0.22 -0.76 -0.13 0.00 -2.04 0.00 0.00 64.05 61.34 2ia9 n THR 86 Cb 0.57 -1.25 -0.06 0.00 -1.82 0.00 0.00 70.33 67.77 2ia9 n THR 86 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2ia9 h GLU 87 N 0.02 0.48 -0.09 -2.82 4.81 -1.45 -2.14 114.58 113.39 2ia9 h GLU 87 Ca -0.32 -0.25 0.04 0.00 -0.13 0.00 0.00 59.36 58.70 2ia9 h GLU 87 Cb 2.02 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 31.36 2ia9 h GLU 87 CO 0.08 0.83 -0.23 0.00 -0.73 0.00 0.00 179.01 178.97 2ia9 h ALA 88 N 0.65 -0.22 -0.16 2.92 0.00 -1.47 -2.67 119.26 118.29 2ia9 h ALA 88 Ca 0.03 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2ia9 h ALA 88 Cb 0.74 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2ia9 h ALA 88 CO 0.05 -0.70 -0.09 1.37 0.00 0.00 0.00 179.25 179.89 2ia9 h LEU 89 N -0.31 0.23 -1.39 0.00 8.10 -1.61 -1.48 115.31 118.86 2ia9 h LEU 89 Ca 0.09 -0.04 0.08 0.00 0.11 0.00 0.00 57.88 58.12 2ia9 h LEU 89 Cb 0.44 -0.06 -0.05 0.00 -0.44 0.00 0.00 40.66 40.55 2ia9 h LEU 89 CO -0.27 0.36 0.48 -0.08 -4.11 0.00 0.00 178.44 174.82 2ia9 h GLU 90 N 0.24 0.69 -0.10 0.17 4.22 -1.06 -3.18 114.58 115.57 2ia9 h GLU 90 Ca 0.05 -0.04 0.03 0.00 0.08 0.00 0.00 59.36 59.48 2ia9 h GLU 90 Cb 0.31 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2ia9 h GLU 90 CO 0.02 0.46 0.55 0.35 -2.18 0.00 0.00 179.01 178.20 2ia9 h PHE 91 N 0.72 0.00 0.00 0.92 3.04 -0.97 -3.51 116.94 117.13 2ia9 h PHE 91 Ca 0.33 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.28 2ia9 h PHE 91 Cb 0.35 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.86 2ia9 h PHE 91 CO -0.00 0.00 0.00 0.39 -2.02 0.00 0.00 178.31 176.68