#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 -3.60 5.20 0.00 -1.26 -5.31 120.51 115.54 2ia9 n ALA 0 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 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 -1.83 0.00 0.00 0.00 177.50 175.67 2ia9 s GLU 2 N 2.98 0.79 -0.17 0.00 -1.05 -1.26 -5.10 118.70 114.89 2ia9 s GLU 2 Ca 0.00 0.68 -0.29 0.00 -0.15 0.00 0.00 54.97 55.21 2ia9 s GLU 2 Cb 0.00 0.38 -0.05 0.00 -0.44 0.00 0.00 34.13 34.02 2ia9 s GLU 2 CO 0.00 -0.15 1.90 0.08 0.95 0.00 0.00 175.26 178.04 2ia9 s VAL 3 N -0.11 3.31 -0.04 1.83 1.01 -1.26 -1.83 120.40 123.30 2ia9 s VAL 3 Ca -0.02 0.35 0.13 0.00 0.00 0.00 0.00 61.98 62.44 2ia9 s VAL 3 Cb -0.04 -3.33 -0.19 0.00 0.00 0.00 0.00 36.38 32.82 2ia9 s VAL 3 CO 0.01 -0.15 0.83 0.74 0.00 0.00 0.00 175.10 176.53 2ia9 h THR 4 N 6.41 0.89 -1.97 3.92 2.02 0.66 -3.48 112.91 121.36 2ia9 h THR 4 Ca -0.39 -2.62 -0.02 0.00 0.77 0.00 0.00 66.41 64.15 2ia9 h THR 4 Cb 1.20 2.39 -0.21 0.00 -1.74 0.00 0.00 68.15 69.78 2ia9 h THR 4 CO 0.98 0.51 0.14 -0.62 0.37 0.00 0.00 175.52 176.89 2ia9 s ASP 5 N -6.12 -0.76 -0.24 4.18 2.15 -1.21 -4.96 116.67 109.71 2ia9 s ASP 5 Ca -0.03 1.42 -0.01 0.00 0.43 0.00 0.00 52.55 54.36 2ia9 s ASP 5 Cb 0.08 1.42 0.07 0.00 -0.30 0.00 0.00 42.92 44.19 2ia9 s ASP 5 CO 0.82 -0.24 0.01 -0.69 -0.17 0.00 0.00 175.17 174.90 2ia9 s VAL 6 N 0.56 1.06 -0.24 1.11 1.01 -1.26 -0.79 120.40 121.84 2ia9 s VAL 6 Ca -0.01 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.77 2ia9 s VAL 6 Cb -0.05 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2ia9 s VAL 6 CO -0.03 -0.28 0.29 -0.60 0.00 0.00 0.00 175.10 174.49 2ia9 s ARG 7 N 1.59 4.07 0.03 2.72 3.52 -1.02 -4.95 118.95 124.91 2ia9 s ARG 7 Ca -0.00 -0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.58 2ia9 s ARG 7 Cb -0.18 -3.59 -0.02 0.00 -1.56 0.00 0.00 34.95 29.61 2ia9 s ARG 7 CO -0.11 -0.09 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.02 2ia9 s LEU 8 N 1.51 2.15 -0.19 -0.88 0.20 -1.26 0.08 118.68 120.28 2ia9 s LEU 8 Ca 0.13 -0.38 0.00 0.00 0.69 0.00 0.00 54.13 54.57 2ia9 s LEU 8 Cb -0.15 -0.38 0.05 0.00 -0.43 0.00 0.00 46.19 45.28 2ia9 s LEU 8 CO 0.08 -0.03 -0.07 -0.60 -0.29 0.00 0.00 176.35 175.44 2ia9 s ARG 9 N -0.97 1.66 0.31 1.98 6.06 0.64 -4.98 118.95 123.65 2ia9 s ARG 9 Ca -0.02 -0.74 -0.28 0.00 -2.50 0.00 0.00 55.73 52.19 2ia9 s ARG 9 Cb -0.07 -2.29 -0.10 0.00 0.06 0.00 0.00 34.95 32.56 2ia9 s ARG 9 CO 0.01 -0.48 1.14 1.03 -2.50 0.00 0.00 175.30 174.50 2ia9 s ARG 10 N 1.50 4.49 -0.05 5.12 0.52 -1.26 -1.11 118.95 128.15 2ia9 s ARG 10 Ca -0.02 1.86 0.01 0.00 -0.52 0.00 0.00 55.73 57.06 2ia9 s ARG 10 Cb -0.16 -3.06 0.02 0.00 0.52 0.00 0.00 34.95 32.27 2ia9 s ARG 10 CO -0.08 0.06 -0.06 0.08 0.02 0.00 0.00 175.30 175.32 2ia9 s VAL 11 N -1.23 0.70 -0.36 3.52 1.01 0.40 -4.92 120.40 119.52 2ia9 s VAL 11 Ca 0.48 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 2ia9 s VAL 11 Cb -0.32 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.37 2ia9 s VAL 11 CO 0.42 0.26 0.62 0.20 0.00 0.00 0.00 175.10 176.60 2ia9 s ASN 12 N 0.89 6.41 0.06 3.32 0.01 -1.26 -4.33 114.94 120.04 2ia9 s ASN 12 Ca -0.11 0.08 0.01 0.00 -0.71 0.00 0.00 52.86 52.13 2ia9 s ASN 12 Cb -0.15 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 2ia9 s ASN 12 CO 0.01 -0.60 -0.05 0.42 -1.51 0.00 0.00 177.10 175.37 2ia9 s THR 13 N 2.69 0.42 -1.27 1.60 -4.23 -1.26 -5.02 115.64 108.57 2ia9 s THR 13 Ca 0.24 -1.66 -0.05 0.00 -1.18 0.00 0.00 61.69 59.03 2ia9 s THR 13 Cb -0.15 -1.32 0.12 0.00 1.34 0.00 0.00 72.50 72.49 2ia9 s THR 13 CO 0.15 -0.82 2.41 0.47 -0.54 0.00 0.00 174.62 176.29 2ia9 n ASP 14 N 0.39 7.96 -1.99 3.99 10.43 -1.26 -4.87 116.55 131.21 2ia9 n ASP 14 Ca -0.16 -3.15 -0.07 0.00 2.57 0.00 0.00 54.79 53.98 2ia9 n ASP 14 Cb 0.59 -1.35 -0.01 0.00 1.84 0.00 0.00 41.12 42.19 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 1.65 2.38 2.48 0.44 0.00 -1.26 -5.24 105.19 105.64 2ia9 n GLY 15 Ca 0.62 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.29 3.14 0.00 1.61 1.74 -1.26 -4.98 116.66 116.62 2ia9 n ARG 16 Ca -0.01 -2.11 0.00 0.00 -0.77 0.00 0.00 57.85 54.97 2ia9 n ARG 16 Cb 0.30 -2.82 0.00 0.00 -1.02 0.00 0.00 32.46 28.92 2ia9 n ARG 16 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2ia9 n ARG 18 N 4.30 0.00 -3.81 5.56 3.00 -0.68 -0.23 116.66 124.80 2ia9 n ARG 18 Ca 0.66 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 58.42 2ia9 n ARG 18 Cb 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.64 2ia9 n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ia9 s ALA 19 N 0.00 -0.38 -0.08 5.13 0.00 -1.08 0.15 121.76 125.50 2ia9 s ALA 19 Ca 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.47 2ia9 s ALA 19 Cb 0.00 0.57 0.02 0.00 0.00 0.00 0.00 23.12 23.70 2ia9 s ALA 19 CO 0.00 -0.55 -0.12 -1.50 0.00 0.00 0.00 175.76 173.59 2ia9 s ILE 20 N -3.86 1.19 0.35 0.00 1.10 -0.27 -1.50 121.20 118.21 2ia9 s ILE 20 Ca 0.05 -0.47 0.07 0.00 -0.51 0.00 0.00 60.65 59.79 2ia9 s ILE 20 Cb 0.04 -1.11 -0.07 0.00 0.15 0.00 0.00 42.46 41.47 2ia9 s ILE 20 CO -0.10 0.38 -0.02 0.00 -2.11 0.00 0.00 174.94 173.09 2ia9 s ALA 21 N 0.95 2.77 0.37 1.50 0.00 0.21 -0.26 121.76 127.30 2ia9 s ALA 21 Ca -0.09 -2.12 0.06 0.00 0.00 0.00 0.00 51.96 49.81 2ia9 s ALA 21 Cb -0.15 0.24 -0.07 0.00 0.00 0.00 0.00 23.12 23.14 2ia9 s ALA 21 CO 0.00 -0.11 0.01 -1.54 0.00 0.00 0.00 175.76 174.12 2ia9 s SER 22 N -3.58 3.31 0.15 0.00 1.04 0.11 -2.42 113.70 112.31 2ia9 s SER 22 Ca 0.34 -1.34 -0.07 0.00 0.48 0.00 0.00 55.95 55.36 2ia9 s SER 22 Cb 0.07 -0.28 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 2ia9 s SER 22 CO 0.16 -0.46 0.21 0.27 0.98 0.00 0.00 173.24 174.39 2ia9 s ILE 23 N -2.91 0.08 -0.04 -1.02 -4.36 -0.55 -2.42 121.20 109.98 2ia9 s ILE 23 Ca 0.35 -1.53 0.02 0.00 -0.26 0.00 0.00 60.65 59.22 2ia9 s ILE 23 Cb 0.08 -1.87 0.01 0.00 1.25 0.00 0.00 42.46 41.94 2ia9 s ILE 23 CO 0.17 -0.37 -0.08 -0.89 0.24 0.00 0.00 174.94 174.00 2ia9 s THR 24 N -3.98 0.76 -0.15 8.37 2.01 0.03 -1.52 115.64 121.16 2ia9 s THR 24 Ca 0.18 -0.29 -0.07 0.00 0.31 0.00 0.00 61.69 61.82 2ia9 s THR 24 Cb 0.05 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 2ia9 s THR 24 CO -0.00 0.26 0.09 -0.76 -0.69 0.00 0.00 174.62 173.52 2ia9 s LEU 25 N 0.58 4.03 -1.42 4.42 1.43 0.87 0.12 118.68 128.72 2ia9 s LEU 25 Ca -0.09 0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 53.11 2ia9 s LEU 25 Cb -0.13 -2.00 0.13 0.00 0.03 0.00 0.00 46.19 44.22 2ia9 s LEU 25 CO 0.01 0.29 0.58 0.47 0.23 0.00 0.00 176.35 177.93 2ia9 n ASP 26 N 2.77 -3.03 -0.68 2.29 10.43 -0.76 -0.07 116.55 127.50 2ia9 n ASP 26 Ca -0.18 -0.68 -0.09 0.00 2.57 0.00 0.00 54.79 56.41 2ia9 n ASP 26 Cb 0.53 -2.53 -0.04 0.00 1.84 0.00 0.00 41.12 40.93 2ia9 n ASP 26 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 2ia9 n HIS 27 N -3.99 0.00 0.00 1.24 8.25 -1.26 -4.64 115.22 114.82 2ia9 n HIS 27 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2ia9 n HIS 27 Cb 0.50 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 29.08 2ia9 n HIS 27 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2ia9 n GLU 28 N -0.65 2.54 -4.86 -0.41 1.02 0.90 -5.07 120.64 114.11 2ia9 n GLU 28 Ca -0.09 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.76 2ia9 n GLU 28 Cb 0.55 -0.49 -0.17 0.00 -0.02 0.00 0.00 31.44 31.31 2ia9 n GLU 28 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2ia9 s PHE 29 N -0.57 2.12 -0.10 -0.32 2.19 -0.15 -4.96 117.98 116.20 2ia9 s PHE 29 Ca 0.00 -0.89 -0.01 0.00 0.33 0.00 0.00 56.93 56.36 2ia9 s PHE 29 Cb 0.00 -1.47 -0.03 0.00 -1.31 0.00 0.00 43.02 40.22 2ia9 s PHE 29 CO 0.00 -0.40 -0.06 0.08 1.83 0.00 0.00 175.22 176.68 2ia9 s VAL 30 N 0.58 3.79 -0.14 3.12 1.01 -1.26 -0.09 120.40 127.41 2ia9 s VAL 30 Ca -0.15 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2ia9 s VAL 30 Cb -0.17 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.65 2ia9 s VAL 30 CO 0.05 0.56 -0.10 -0.69 0.00 0.00 0.00 175.10 174.92 2ia9 s VAL 31 N -0.38 1.32 0.49 2.92 1.01 -0.57 -5.01 120.40 120.18 2ia9 s VAL 31 Ca 0.06 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.58 2ia9 s VAL 31 Cb -0.12 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 34.98 2ia9 s VAL 31 CO 0.02 0.36 0.66 -1.00 0.00 0.00 0.00 175.10 175.14 2ia9 s HIS 32 N 1.58 2.19 -0.94 5.22 3.76 -1.26 -1.48 115.29 124.36 2ia9 s HIS 32 Ca 0.04 -0.54 -0.02 0.00 -0.15 0.00 0.00 55.06 54.39 2ia9 s HIS 32 Cb -0.13 -2.30 -0.02 0.00 1.11 0.00 0.00 32.58 31.24 2ia9 s HIS 32 CO -0.09 -0.74 0.79 -3.47 -0.85 0.00 0.00 174.74 170.38 2ia9 n ASP 33 N -2.02 -3.22 -4.18 1.40 4.64 -1.24 -4.61 116.55 107.32 2ia9 n ASP 33 Ca 0.11 -0.53 -0.34 0.00 -1.38 0.00 0.00 54.79 52.65 2ia9 n ASP 33 Cb 0.60 -4.28 -0.14 0.00 -1.04 0.00 0.00 41.12 36.26 2ia9 n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2ia9 s ILE 34 N -3.30 2.84 -0.14 5.18 1.01 -1.01 -2.92 121.20 122.86 2ia9 s ILE 34 Ca 0.12 -1.23 -0.10 0.00 0.00 0.00 0.00 60.65 59.44 2ia9 s ILE 34 Cb -0.02 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 2ia9 s ILE 34 CO 0.60 0.06 0.21 -0.13 0.00 0.00 0.00 174.94 175.67 2ia9 s ARG 35 N 1.27 3.91 -0.13 2.79 0.52 -0.83 0.68 118.95 127.16 2ia9 s ARG 35 Ca -0.03 -0.03 -0.22 0.00 -0.52 0.00 0.00 55.73 54.93 2ia9 s ARG 35 Cb -0.18 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 31.94 2ia9 s ARG 35 CO -0.03 0.50 0.67 0.08 0.02 0.00 0.00 175.30 176.54 2ia9 s VAL 36 N -0.29 5.03 -0.05 3.52 1.01 -0.56 0.21 120.40 129.27 2ia9 s VAL 36 Ca 0.15 1.34 0.04 0.00 0.00 0.00 0.00 61.98 63.50 2ia9 s VAL 36 Cb -0.13 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2ia9 s VAL 36 CO 0.04 0.18 -0.16 -0.63 0.00 0.00 0.00 175.10 174.53 2ia9 s ILE 37 N 1.31 1.34 -0.42 2.22 -1.09 0.12 -1.69 121.20 122.99 2ia9 s ILE 37 Ca 0.34 -0.64 -0.25 0.00 -2.23 0.00 0.00 60.65 57.86 2ia9 s ILE 37 Cb -0.17 -1.17 0.02 0.00 -1.58 0.00 0.00 42.46 39.56 2ia9 s ILE 37 CO 0.14 0.39 0.90 -0.62 -1.23 0.00 0.00 174.94 174.52 2ia9 s ASP 38 N 0.26 6.55 0.34 3.58 3.68 0.69 0.08 116.67 131.85 2ia9 s ASP 38 Ca -0.08 0.27 0.09 0.00 2.13 0.00 0.00 52.55 54.95 2ia9 s ASP 38 Cb -0.13 -2.44 -0.05 0.00 -1.45 0.00 0.00 42.92 38.85 2ia9 s ASP 38 CO 0.03 -0.94 0.05 -0.83 0.13 0.00 0.00 175.17 173.61 2ia9 s GLY 39 N 2.09 2.05 0.24 2.66 0.00 -0.10 -4.78 107.32 109.48 2ia9 s GLY 39 Ca 0.36 -1.93 0.11 0.00 0.00 0.00 0.00 44.72 43.26 2ia9 s GLY 39 CO 0.23 -1.86 1.23 0.70 0.00 0.00 0.00 173.10 173.39 2ia9 n ASN 40 N -1.02 0.29 -1.76 1.64 3.02 -1.26 -0.03 115.26 116.14 2ia9 n ASN 40 Ca -0.04 0.53 -0.02 0.00 -0.03 0.00 0.00 54.58 55.03 2ia9 n ASN 40 Cb 0.62 -0.51 0.07 0.00 -0.61 0.00 0.00 39.78 39.35 2ia9 n ASN 40 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ia9 n ASN 41 N -1.90 1.99 0.00 6.41 4.13 -1.26 -5.12 115.26 119.51 2ia9 n ASN 41 Ca -0.01 -2.73 0.00 0.00 1.68 0.00 0.00 54.58 53.53 2ia9 n ASN 41 Cb 0.24 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.07 2ia9 n ASN 41 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ia9 n GLY 42 N -0.36 0.58 3.76 7.41 0.00 0.96 -5.02 105.19 112.52 2ia9 n GLY 42 Ca 0.16 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 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 4.05 0.11 0.99 1.02 -1.26 -0.93 118.68 122.66 2ia9 s LEU 43 Ca 0.00 2.52 -0.14 0.00 0.02 0.00 0.00 54.13 56.52 2ia9 s LEU 43 Cb 0.00 -4.13 0.03 0.00 0.02 0.00 0.00 46.19 42.10 2ia9 s LEU 43 CO 0.00 -1.04 0.35 0.72 0.02 0.00 0.00 176.35 176.41 2ia9 s PHE 44 N -1.40 -0.13 -0.20 0.29 -0.71 0.11 -4.87 117.98 111.09 2ia9 s PHE 44 Ca 0.63 -0.20 -0.08 0.00 -1.04 0.00 0.00 56.93 56.24 2ia9 s PHE 44 Cb -0.34 0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.61 2ia9 s PHE 44 CO 0.42 -0.66 0.08 0.08 -1.34 0.00 0.00 175.22 173.80 2ia9 s VAL 45 N -3.73 4.88 0.11 -2.49 1.01 -1.26 0.14 120.40 119.05 2ia9 s VAL 45 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.02 2ia9 s VAL 45 Cb 0.02 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.20 2ia9 s VAL 45 CO -0.11 0.44 0.09 0.00 0.00 0.00 0.00 175.10 175.52 2ia9 n ALA 46 N 3.72 0.18 -2.86 5.51 0.00 0.13 -4.98 120.51 122.20 2ia9 n ALA 46 Ca -0.16 -0.41 -0.37 0.00 0.00 0.00 0.00 53.44 52.50 2ia9 n ALA 46 Cb 0.52 0.16 -0.06 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.44 3.51 0.34 0.00 0.04 -1.15 -1.96 135.00 133.34 2ia9 s PRO 48 Ca 0.07 -0.12 0.03 0.00 0.04 0.00 0.00 61.00 61.02 2ia9 s PRO 48 Cb -0.01 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.28 2ia9 s PRO 48 CO 0.05 0.74 0.08 -1.54 0.04 0.00 0.00 177.00 176.37 2ia9 s SER 49 N -0.92 2.34 -0.03 6.66 1.04 -1.26 -1.23 113.70 120.30 2ia9 s SER 49 Ca 0.15 -1.47 0.04 0.00 0.48 0.00 0.00 55.95 55.15 2ia9 s SER 49 Cb -0.12 0.13 -0.00 0.00 0.10 0.00 0.00 66.02 66.12 2ia9 s SER 49 CO 0.04 -0.72 -0.13 -0.75 0.98 0.00 0.00 173.24 172.65 2ia9 s LYS 50 N -3.86 1.31 0.22 4.02 2.47 -0.70 -4.84 119.74 118.36 2ia9 s LYS 50 Ca 0.33 -0.47 0.05 0.00 -1.56 0.00 0.00 55.97 54.32 2ia9 s LYS 50 Cb 0.07 -1.19 -0.05 0.00 -1.46 0.00 0.00 37.83 35.19 2ia9 s LYS 50 CO 0.15 0.22 -0.06 0.50 0.16 0.00 0.00 175.35 176.32 2ia9 s ARG 51 N -0.02 1.33 -0.04 4.03 3.52 -1.26 -3.72 118.95 122.79 2ia9 s ARG 51 Ca -0.01 -1.64 -0.01 0.00 -0.13 0.00 0.00 55.73 53.94 2ia9 s ARG 51 Cb -0.09 -0.81 0.00 0.00 -1.56 0.00 0.00 34.95 32.50 2ia9 s ARG 51 CO 0.01 0.01 0.04 -0.40 -0.81 0.00 0.00 175.30 174.14 2ia9 n ASP 54 N -0.41 -0.30 0.00 -2.12 5.75 -1.26 -5.12 116.55 113.10 2ia9 n ASP 54 Ca -0.07 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 2ia9 n ASP 54 Cb 0.63 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 2ia9 n ASP 54 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ia9 n GLY 55 N -0.26 2.29 2.92 6.12 0.00 -1.26 -4.99 105.19 110.01 2ia9 n GLY 55 Ca -0.01 -0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 2ia9 n GLY 55 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ia9 n GLU 56 N 0.00 0.00 -3.48 1.61 0.00 -1.26 -4.99 120.64 112.52 2ia9 n GLU 56 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 56.89 2ia9 n GLU 56 Cb 0.00 -1.04 -0.10 0.00 0.00 0.00 0.00 31.44 30.29 2ia9 n GLU 56 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2ia9 s PHE 57 N -0.46 1.50 0.05 -1.84 2.99 -1.26 -4.29 117.98 114.67 2ia9 s PHE 57 Ca 0.65 -2.48 0.04 0.00 0.00 0.00 0.00 56.93 55.13 2ia9 s PHE 57 Cb -0.92 -1.22 -0.04 0.00 0.00 0.00 0.00 43.02 40.84 2ia9 s PHE 57 CO 0.48 -0.78 -0.02 1.03 -0.00 0.00 0.00 175.22 175.93 2ia9 s ARG 58 N -0.17 2.57 0.60 0.44 1.81 -1.24 -4.96 118.95 118.00 2ia9 s ARG 58 Ca 0.31 -0.78 -0.19 0.00 -1.72 0.00 0.00 55.73 53.36 2ia9 s ARG 58 Cb 0.02 -2.54 -0.03 0.00 -0.45 0.00 0.00 34.95 31.94 2ia9 s ARG 58 CO -0.19 0.57 1.22 -0.51 -0.68 0.00 0.00 175.30 175.71 2ia9 s ASP 59 N -1.95 5.08 -0.00 0.23 1.11 -1.26 -1.72 116.67 118.16 2ia9 s ASP 59 Ca 0.22 2.42 0.20 0.00 0.18 0.00 0.00 52.55 55.58 2ia9 s ASP 59 Cb -0.11 -2.60 -0.22 0.00 1.07 0.00 0.00 42.92 41.05 2ia9 s ASP 59 CO 0.14 -1.67 0.58 -0.38 1.18 0.00 0.00 175.17 175.01 2ia9 n ILE 60 N -1.67 0.60 -3.80 0.77 5.41 -0.37 -4.81 119.36 115.51 2ia9 n ILE 60 Ca 0.14 -0.61 -0.28 0.00 1.00 0.00 0.00 62.75 63.00 2ia9 n ILE 60 Cb 0.49 -0.29 -0.16 0.00 -0.71 0.00 0.00 39.64 38.97 2ia9 n ILE 60 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2ia9 s THR 61 N -3.18 0.79 -0.17 1.39 2.01 -1.25 -5.08 115.64 110.15 2ia9 s THR 61 Ca -0.06 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.25 2ia9 s THR 61 Cb 0.11 -1.21 0.04 0.00 0.01 0.00 0.00 72.50 71.45 2ia9 s THR 61 CO 0.85 -0.14 -0.05 -2.28 -0.69 0.00 0.00 174.62 172.32 2ia9 s HIS 62 N 1.74 1.71 0.13 4.92 5.04 -1.26 -4.73 115.29 122.83 2ia9 s HIS 62 Ca -0.02 -1.10 -0.31 0.00 -1.54 0.00 0.00 55.06 52.09 2ia9 s HIS 62 Cb -0.17 -1.32 -0.09 0.00 0.04 0.00 0.00 32.58 31.04 2ia9 s HIS 62 CO -0.07 -0.62 1.51 -2.14 -2.34 0.00 0.00 174.74 171.08 2ia9 s PRO 63 N 1.63 4.25 0.60 2.88 0.02 -1.26 -4.89 135.00 138.23 2ia9 s PRO 63 Ca 0.00 2.25 0.30 0.00 0.02 0.00 0.00 61.00 63.57 2ia9 s PRO 63 Cb -0.15 -3.26 1.74 0.00 0.02 0.00 0.00 34.50 32.85 2ia9 s PRO 63 CO -0.08 -0.57 2.13 0.97 -0.33 0.00 0.00 177.00 179.13 2ia9 h ILE 64 N 4.24 0.41 -3.20 2.83 2.10 -1.99 -3.44 117.51 118.46 2ia9 h ILE 64 Ca -0.42 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.46 2ia9 h ILE 64 Cb 1.20 0.86 -0.14 0.00 -1.09 0.00 0.00 36.82 37.66 2ia9 h ILE 64 CO 0.90 0.00 -0.05 0.54 -1.08 0.00 0.00 178.15 178.46 2ia9 s ASN 65 N -5.70 -0.29 0.37 2.19 2.20 -1.26 -5.07 114.94 107.38 2ia9 s ASN 65 Ca -0.05 -0.16 0.10 0.00 -0.94 0.00 0.00 52.86 51.82 2ia9 s ASN 65 Cb 0.15 0.47 0.86 0.00 -2.00 0.00 0.00 41.25 40.73 2ia9 s ASN 65 CO 0.52 -0.80 1.88 0.77 -2.94 0.00 0.00 177.10 176.54 2ia9 h SER 66 N 2.55 0.60 -0.27 3.54 4.64 -1.99 -1.64 113.55 120.99 2ia9 h SER 66 Ca -0.33 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 60.88 2ia9 h SER 66 Cb 1.24 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2ia9 h SER 66 CO 0.45 0.31 -0.40 0.77 -0.87 0.00 0.00 176.83 177.09 2ia9 h SER 67 N 0.64 0.82 -0.67 4.97 4.64 -1.97 0.69 113.55 122.66 2ia9 h SER 67 Ca 0.42 -0.51 -0.06 0.00 -0.47 0.00 0.00 61.79 61.17 2ia9 h SER 67 Cb 0.71 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 2ia9 h SER 67 CO -0.18 1.17 0.18 0.00 -0.87 0.00 0.00 176.83 177.12 2ia9 h THR 68 N 0.49 1.26 -0.71 2.95 1.03 -1.88 -1.85 112.91 114.20 2ia9 h THR 68 Ca 0.03 -0.92 0.04 0.00 -0.01 0.00 0.00 66.41 65.54 2ia9 h THR 68 Cb 0.99 0.58 -0.05 0.00 -1.07 0.00 0.00 68.15 68.61 2ia9 h THR 68 CO 0.09 0.35 0.44 -0.09 -0.01 0.00 0.00 175.52 176.30 2ia9 h ARG 69 N 0.98 0.82 -0.92 0.00 2.43 -1.08 -2.73 114.38 113.88 2ia9 h ARG 69 Ca 0.21 -0.05 0.20 0.00 -0.81 0.00 0.00 59.98 59.53 2ia9 h ARG 69 Cb 0.34 -0.18 -0.11 0.00 -0.42 0.00 0.00 29.97 29.60 2ia9 h ARG 69 CO -0.00 0.54 0.48 0.78 -1.51 0.00 0.00 179.97 180.26 2ia9 h GLY 70 N 0.84 1.60 1.17 2.80 0.00 0.12 -1.14 103.07 108.46 2ia9 h GLY 70 Ca 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2ia9 h GLY 70 CO -0.12 -0.17 -0.69 0.07 0.00 0.00 0.00 176.54 175.63 2ia9 h LYS 71 N 0.56 0.00 0.12 4.80 2.10 -1.11 -2.10 116.57 120.94 2ia9 h LYS 71 Ca 0.55 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.20 2ia9 h LYS 71 Cb 0.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 2ia9 h LYS 71 CO -0.45 0.00 -0.06 0.82 -2.00 0.00 0.00 179.45 177.76 2ia9 h ILE 72 N 0.00 0.68 -0.98 0.07 2.04 -1.23 -2.75 117.51 115.35 2ia9 h ILE 72 Ca 0.00 -1.25 0.32 0.00 1.00 0.00 0.00 64.86 64.93 2ia9 h ILE 72 Cb 0.83 1.21 -0.15 0.00 -0.74 0.00 0.00 36.82 37.97 2ia9 h ILE 72 CO 0.00 0.20 0.46 -0.61 0.00 0.00 0.00 178.15 178.20 2ia9 h GLN 73 N -0.96 0.22 -0.01 2.37 4.15 -1.28 -1.04 115.11 118.57 2ia9 h GLN 73 Ca -0.02 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 2ia9 h GLN 73 Cb 0.45 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.09 2ia9 h GLN 73 CO 0.03 0.15 -0.03 -0.44 -1.93 0.00 0.00 178.83 176.60 2ia9 h ASP 74 N 0.23 0.04 -0.95 -0.69 5.19 -1.46 -1.59 116.42 117.18 2ia9 h ASP 74 Ca 0.71 -0.68 0.16 0.00 -0.62 0.00 0.00 57.03 56.60 2ia9 h ASP 74 Cb 1.62 -0.01 -0.08 0.00 0.18 0.00 0.00 39.33 41.03 2ia9 h ASP 74 CO -0.66 0.71 0.60 0.00 -3.12 0.00 0.00 179.24 176.77 2ia9 h ALA 75 N 0.32 1.78 0.30 3.45 0.00 -1.02 0.15 119.26 124.24 2ia9 h ALA 75 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2ia9 h ALA 75 Cb 0.71 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2ia9 h ALA 75 CO 0.01 -0.07 -0.14 0.28 0.00 0.00 0.00 179.25 179.33 2ia9 h VAL 76 N 0.74 0.00 -0.97 0.00 2.07 -1.18 -2.73 116.25 114.17 2ia9 h VAL 76 Ca 0.50 -0.61 0.22 0.00 0.82 0.00 0.00 66.70 67.63 2ia9 h VAL 76 Cb 0.80 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 2ia9 h VAL 76 CO -0.27 0.00 0.63 -0.07 0.02 0.00 0.00 177.57 177.88 2ia9 h LEU 77 N -1.01 0.50 0.93 2.57 4.07 -1.11 0.20 115.31 121.47 2ia9 h LEU 77 Ca -0.04 0.07 -0.05 0.00 0.08 0.00 0.00 57.88 57.94 2ia9 h LEU 77 Cb 0.30 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.03 2ia9 h LEU 77 CO 0.07 0.17 -0.45 0.78 -1.08 0.00 0.00 178.44 177.92 2ia9 h ASN 78 N 0.48 -1.07 -0.94 -0.43 4.21 -0.74 -2.08 115.58 115.01 2ia9 h ASN 78 Ca 0.53 0.04 0.20 0.00 1.21 0.00 0.00 56.30 58.28 2ia9 h ASN 78 Cb 1.21 0.28 -0.11 0.00 -1.12 0.00 0.00 38.32 38.58 2ia9 h ASN 78 CO -0.26 -0.76 0.52 -0.08 -1.29 0.00 0.00 177.43 175.56 2ia9 h GLU 79 N -1.25 0.59 0.07 0.81 4.57 -0.97 0.15 114.58 118.55 2ia9 h GLU 79 Ca -0.13 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.03 2ia9 h GLU 79 Cb 0.96 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.38 2ia9 h GLU 79 CO 0.21 0.39 -0.43 -0.92 -1.18 0.00 0.00 179.01 177.08 2ia9 h TYR 80 N 0.61 -1.24 -0.42 0.92 5.03 -0.46 0.70 116.97 122.10 2ia9 h TYR 80 Ca 0.56 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.92 2ia9 h TYR 80 Cb 0.95 0.53 -0.03 0.00 1.55 0.00 0.00 36.73 39.74 2ia9 h TYR 80 CO -0.06 -0.48 0.25 0.45 -1.32 0.00 0.00 178.16 177.01 2ia9 h HIS 81 N -0.59 0.48 -0.88 -3.82 3.86 -0.95 -1.99 115.15 111.26 2ia9 h HIS 81 Ca -0.00 0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.42 2ia9 h HIS 81 Cb 0.60 -0.15 -0.11 0.00 1.06 0.00 0.00 27.41 28.80 2ia9 h HIS 81 CO -0.44 0.28 0.41 -0.09 0.86 0.00 0.00 177.93 178.95 2ia9 h ARG 82 N 0.52 0.45 0.14 2.45 2.43 -0.45 -1.11 114.38 118.82 2ia9 h ARG 82 Ca 0.17 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2ia9 h ARG 82 Cb -0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2ia9 h ARG 82 CO -0.07 0.30 -0.07 1.25 -1.51 0.00 0.00 179.97 179.87 2ia9 h LEU 83 N 0.47 -0.16 0.00 3.80 5.85 -0.15 -2.91 115.31 122.20 2ia9 h LEU 83 Ca 0.53 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2ia9 h LEU 83 Cb 0.94 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2ia9 h LEU 83 CO -0.48 0.19 0.00 0.61 -0.34 0.00 0.00 178.44 178.42 2ia9 n GLY 84 N -0.24 -0.53 2.43 3.75 0.00 -0.78 -2.66 105.19 107.16 2ia9 n GLY 84 Ca -0.09 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 2ia9 n GLY 84 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ia9 n ASP 85 N -0.69 6.99 0.00 1.61 9.92 -0.49 -5.05 116.55 128.84 2ia9 n ASP 85 Ca 0.05 -3.79 0.00 0.00 -0.53 0.00 0.00 54.79 50.52 2ia9 n ASP 85 Cb 0.02 -0.86 0.00 0.00 -0.64 0.00 0.00 41.12 39.65 2ia9 n ASP 85 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74