#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 1.34 -3.15 5.20 0.00 -1.26 -5.30 120.51 117.34 2ia9 n ALA 0 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2ia9 n ALA 0 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2ia9 n ALA 0 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ia9 s GLU 2 N 0.00 0.09 -0.65 0.00 2.12 -1.26 -5.04 118.70 113.96 2ia9 s GLU 2 Ca 0.00 0.14 -0.27 0.00 0.36 0.00 0.00 54.97 55.19 2ia9 s GLU 2 Cb 0.00 0.07 0.03 0.00 0.26 0.00 0.00 34.13 34.49 2ia9 s GLU 2 CO 0.00 -0.12 1.21 0.54 -0.54 0.00 0.00 175.26 176.35 2ia9 s VAL 3 N 2.98 3.92 -0.04 3.70 0.11 -1.26 -0.02 120.40 129.78 2ia9 s VAL 3 Ca 0.05 0.65 0.13 0.00 -2.93 0.00 0.00 61.98 59.88 2ia9 s VAL 3 Cb -0.06 -4.80 -0.13 0.00 -1.53 0.00 0.00 36.38 29.86 2ia9 s VAL 3 CO -0.13 -1.55 1.08 0.71 -3.33 0.00 0.00 175.10 171.89 2ia9 h THR 4 N 6.10 1.02 -2.56 5.04 1.35 -1.20 -3.48 112.91 119.18 2ia9 h THR 4 Ca -0.26 -2.61 -0.10 0.00 -0.55 0.00 0.00 66.41 62.89 2ia9 h THR 4 Cb 1.05 2.45 -0.21 0.00 -1.73 0.00 0.00 68.15 69.71 2ia9 h THR 4 CO 1.22 0.58 -0.11 -0.62 -0.25 0.00 0.00 175.52 176.35 2ia9 s ASP 5 N -6.29 -0.46 -0.15 5.36 2.15 -1.20 -5.00 116.67 111.08 2ia9 s ASP 5 Ca -0.00 0.70 0.00 0.00 0.43 0.00 0.00 52.55 53.68 2ia9 s ASP 5 Cb 0.09 0.74 0.03 0.00 -0.30 0.00 0.00 42.92 43.47 2ia9 s ASP 5 CO 0.80 -0.33 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.66 2ia9 s VAL 6 N -0.45 1.41 -0.10 1.11 1.01 -1.26 -0.86 120.40 121.25 2ia9 s VAL 6 Ca -0.06 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 2ia9 s VAL 6 Cb -0.03 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 2ia9 s VAL 6 CO 0.03 0.37 -0.02 -0.13 0.00 0.00 0.00 175.10 175.36 2ia9 s ARG 7 N 1.54 3.12 -0.48 2.72 0.52 0.16 -4.99 118.95 121.55 2ia9 s ARG 7 Ca 0.04 -0.46 0.03 0.00 -0.52 0.00 0.00 55.73 54.82 2ia9 s ARG 7 Cb -0.13 -2.79 0.13 0.00 0.52 0.00 0.00 34.95 32.68 2ia9 s ARG 7 CO -0.10 0.58 0.26 -1.17 0.02 0.00 0.00 175.30 174.89 2ia9 s LEU 8 N -0.55 3.42 0.63 2.53 2.96 -1.26 -0.81 118.68 125.61 2ia9 s LEU 8 Ca 0.09 -2.83 -0.04 0.00 -0.22 0.00 0.00 54.13 51.13 2ia9 s LEU 8 Cb -0.12 -1.30 0.04 0.00 0.50 0.00 0.00 46.19 45.31 2ia9 s LEU 8 CO 0.02 -0.25 0.92 -0.60 -1.32 0.00 0.00 176.35 175.12 2ia9 s ARG 9 N 0.03 2.50 -1.35 1.98 3.52 0.62 -4.56 118.95 121.68 2ia9 s ARG 9 Ca 0.18 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 2ia9 s ARG 9 Cb -0.24 -2.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.87 2ia9 s ARG 9 CO -0.00 -0.94 0.00 -2.13 -0.81 0.00 0.00 175.30 171.41 2ia9 n ARG 10 N -2.67 -1.80 -2.16 5.12 3.00 -1.26 -1.63 116.66 115.25 2ia9 n ARG 10 Ca 0.07 0.76 -0.42 0.00 -0.00 0.00 0.00 57.85 58.26 2ia9 n ARG 10 Cb 0.59 -5.25 -0.03 0.00 0.00 0.00 0.00 32.46 27.78 2ia9 n ARG 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2ia9 s VAL 11 N -2.54 3.26 -0.85 5.15 0.11 -1.26 -4.37 120.40 119.90 2ia9 s VAL 11 Ca 0.00 0.92 -0.02 0.00 -2.93 0.00 0.00 61.98 59.95 2ia9 s VAL 11 Cb 0.00 -3.59 -0.02 0.00 -1.53 0.00 0.00 36.38 31.24 2ia9 s VAL 11 CO 0.00 0.08 0.77 0.59 -3.33 0.00 0.00 175.10 173.21 2ia9 n ASN 12 N 3.78 -7.32 0.03 3.54 4.13 0.22 -5.00 115.26 114.65 2ia9 n ASN 12 Ca 0.11 -0.32 -0.01 0.00 1.68 0.00 0.00 54.58 56.04 2ia9 n ASN 12 Cb 0.42 -5.17 -0.00 0.00 -1.54 0.00 0.00 39.78 33.49 2ia9 n ASN 12 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2ia9 n THR 13 N -2.32 1.10 -2.13 3.41 5.66 -1.26 -5.03 114.28 113.71 2ia9 n THR 13 Ca -0.03 0.33 -0.33 0.00 -3.05 0.00 0.00 64.05 60.97 2ia9 n THR 13 Cb 0.55 -1.63 0.01 0.00 -1.55 0.00 0.00 70.33 67.71 2ia9 n THR 13 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2ia9 s ASP 14 N -5.88 5.79 0.12 1.09 2.15 -1.26 -4.99 116.67 113.69 2ia9 s ASP 14 Ca -0.02 1.91 0.02 0.00 0.43 0.00 0.00 52.55 54.89 2ia9 s ASP 14 Cb 0.00 -2.55 -0.18 0.00 -0.30 0.00 0.00 42.92 39.90 2ia9 s ASP 14 CO 0.03 -1.16 1.26 1.23 -0.17 0.00 0.00 175.17 176.36 2ia9 h GLY 15 N 0.69 0.15 -4.26 2.66 0.00 -2.03 -3.40 103.07 96.88 2ia9 h GLY 15 Ca -0.48 -0.34 -0.58 0.00 0.00 0.00 0.00 47.33 45.93 2ia9 h GLY 15 CO 0.57 0.30 0.71 0.54 0.00 0.00 0.00 176.54 178.66 2ia9 n ARG 16 N -3.48 2.44 0.00 4.80 5.12 -1.26 -4.79 116.66 119.49 2ia9 n ARG 16 Ca -0.04 -2.74 0.00 0.00 -1.93 0.00 0.00 57.85 53.14 2ia9 n ARG 16 Cb 0.93 -2.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 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 -0.12 0.00 -4.09 5.56 1.74 0.11 -1.56 116.66 118.30 2ia9 n ARG 18 Ca 0.50 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.48 2ia9 n ARG 18 Cb 0.51 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.86 2ia9 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ia9 s ALA 19 N -1.57 0.59 -0.11 7.54 0.00 -0.95 0.71 121.76 127.96 2ia9 s ALA 19 Ca 0.00 -1.30 0.03 0.00 0.00 0.00 0.00 51.96 50.69 2ia9 s ALA 19 Cb 0.00 0.97 -0.00 0.00 0.00 0.00 0.00 23.12 24.09 2ia9 s ALA 19 CO 0.00 -0.58 -0.22 -1.50 0.00 0.00 0.00 175.76 173.46 2ia9 s ILE 20 N -4.04 2.24 0.03 0.00 2.07 -0.65 -1.65 121.20 119.20 2ia9 s ILE 20 Ca 0.25 -0.95 0.07 0.00 -1.41 0.00 0.00 60.65 58.60 2ia9 s ILE 20 Cb 0.06 -1.87 -0.02 0.00 0.13 0.00 0.00 42.46 40.75 2ia9 s ILE 20 CO 0.04 0.55 -0.20 0.00 -1.91 0.00 0.00 174.94 173.41 2ia9 s ALA 21 N 0.37 1.72 -0.21 1.50 0.00 0.19 -0.27 121.76 125.05 2ia9 s ALA 21 Ca -0.17 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 50.78 2ia9 s ALA 21 Cb -0.18 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.64 2ia9 s ALA 21 CO 0.08 0.39 -0.15 -1.12 0.00 0.00 0.00 175.76 174.96 2ia9 s SER 22 N -1.07 3.57 0.10 0.00 0.01 0.01 -2.10 113.70 114.21 2ia9 s SER 22 Ca 0.07 -0.93 -0.05 0.00 1.31 0.00 0.00 55.95 56.36 2ia9 s SER 22 Cb -0.09 -1.43 -0.05 0.00 0.21 0.00 0.00 66.02 64.67 2ia9 s SER 22 CO 0.01 -0.10 0.32 0.27 0.41 0.00 0.00 173.24 174.16 2ia9 s ILE 23 N 1.27 5.23 -0.18 1.44 -4.36 -0.87 -0.66 121.20 123.07 2ia9 s ILE 23 Ca -0.01 0.01 -0.04 0.00 -0.26 0.00 0.00 60.65 60.35 2ia9 s ILE 23 Cb -0.16 -3.61 -0.02 0.00 1.25 0.00 0.00 42.46 39.91 2ia9 s ILE 23 CO -0.09 0.14 -0.02 -0.89 0.24 0.00 0.00 174.94 174.31 2ia9 s THR 24 N -1.54 3.87 -0.19 8.37 2.01 -0.04 -0.70 115.64 127.42 2ia9 s THR 24 Ca 0.37 -0.35 -0.09 0.00 0.31 0.00 0.00 61.69 61.92 2ia9 s THR 24 Cb -0.13 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.61 2ia9 s THR 24 CO 0.23 0.46 0.12 -0.76 -0.69 0.00 0.00 174.62 173.98 2ia9 s LEU 25 N 0.69 4.16 -1.55 4.42 1.43 0.18 -0.60 118.68 127.41 2ia9 s LEU 25 Ca -0.01 0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 53.17 2ia9 s LEU 25 Cb -0.14 -2.07 0.11 0.00 0.03 0.00 0.00 46.19 44.12 2ia9 s LEU 25 CO 0.02 0.20 0.82 0.47 0.23 0.00 0.00 176.35 178.09 2ia9 n ASP 26 N 3.39 -4.18 0.00 2.29 8.00 0.98 -1.28 116.55 125.75 2ia9 n ASP 26 Ca -0.16 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.57 2ia9 n ASP 26 Cb 0.52 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.24 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 -4.44 0.00 0.00 1.24 8.25 -1.26 -4.55 115.22 114.45 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 0.52 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.76 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 -2.00 2.32 -4.02 -0.41 1.02 -0.90 -5.05 120.64 111.60 2ia9 n GLU 28 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 2ia9 n GLU 28 Cb 0.00 -0.72 -0.15 0.00 -0.02 0.00 0.00 31.44 30.55 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 -1.25 3.07 -0.09 -0.32 2.19 -0.40 -4.99 117.98 116.19 2ia9 s PHE 29 Ca 0.00 -1.78 -0.03 0.00 0.33 0.00 0.00 56.93 55.45 2ia9 s PHE 29 Cb 0.00 -2.00 -0.04 0.00 -1.31 0.00 0.00 43.02 39.67 2ia9 s PHE 29 CO 0.00 -0.79 0.06 0.08 1.83 0.00 0.00 175.22 176.41 2ia9 s VAL 30 N 1.26 4.81 -0.20 3.12 1.01 -1.26 0.47 120.40 129.60 2ia9 s VAL 30 Ca -0.01 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2ia9 s VAL 30 Cb -0.17 -3.07 0.04 0.00 0.00 0.00 0.00 36.38 33.17 2ia9 s VAL 30 CO -0.06 0.58 -0.14 -0.69 0.00 0.00 0.00 175.10 174.78 2ia9 s VAL 31 N -0.98 1.85 0.66 2.92 1.01 0.12 -4.98 120.40 121.00 2ia9 s VAL 31 Ca 0.15 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.11 2ia9 s VAL 31 Cb -0.12 -1.82 0.10 0.00 0.00 0.00 0.00 36.38 34.54 2ia9 s VAL 31 CO 0.05 0.29 0.91 -1.00 0.00 0.00 0.00 175.10 175.35 2ia9 s HIS 32 N 1.32 1.79 -1.39 5.22 3.76 -1.26 -2.06 115.29 122.67 2ia9 s HIS 32 Ca 0.00 -0.32 -0.08 0.00 -0.15 0.00 0.00 55.06 54.51 2ia9 s HIS 32 Cb -0.15 -2.79 0.05 0.00 1.11 0.00 0.00 32.58 30.80 2ia9 s HIS 32 CO -0.10 -1.44 0.57 -0.25 -0.85 0.00 0.00 174.74 172.68 2ia9 n ASP 33 N -2.62 -4.56 -4.74 1.40 8.00 -1.19 -4.70 116.55 108.14 2ia9 n ASP 33 Ca 0.14 -0.39 -0.40 0.00 0.71 0.00 0.00 54.79 54.84 2ia9 n ASP 33 Cb 0.61 -3.73 -0.05 0.00 -0.02 0.00 0.00 41.12 37.93 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 -3.04 4.80 0.09 0.53 1.01 -0.89 -3.47 121.20 120.22 2ia9 s ILE 34 Ca 0.40 1.64 0.08 0.00 0.00 0.00 0.00 60.65 62.77 2ia9 s ILE 34 Cb -0.20 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 2ia9 s ILE 34 CO 0.49 0.32 -0.21 0.00 0.00 0.00 0.00 174.94 175.55 2ia9 s ARG 35 N 0.20 1.16 -0.32 2.79 1.70 -0.34 0.52 118.95 124.67 2ia9 s ARG 35 Ca 0.40 -1.10 -0.22 0.00 -0.47 0.00 0.00 55.73 54.34 2ia9 s ARG 35 Cb -0.20 -1.39 -0.00 0.00 -0.57 0.00 0.00 34.95 32.79 2ia9 s ARG 35 CO 0.23 0.33 0.70 0.08 -1.08 0.00 0.00 175.30 175.55 2ia9 s VAL 36 N -1.08 4.86 0.11 4.99 1.01 -0.66 -0.18 120.40 129.45 2ia9 s VAL 36 Ca 0.06 0.90 0.10 0.00 0.00 0.00 0.00 61.98 63.05 2ia9 s VAL 36 Cb -0.10 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2ia9 s VAL 36 CO 0.04 -0.25 -0.27 -0.63 0.00 0.00 0.00 175.10 173.99 2ia9 s ILE 37 N 2.80 2.20 -0.42 2.22 1.01 -0.62 0.07 121.20 128.46 2ia9 s ILE 37 Ca 0.28 -1.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.13 2ia9 s ILE 37 Cb -0.14 -1.93 0.04 0.00 0.01 0.00 0.00 42.46 40.43 2ia9 s ILE 37 CO 0.13 0.14 0.30 -0.62 0.00 0.00 0.00 174.94 174.89 2ia9 s ASP 38 N -1.86 6.00 0.00 3.58 2.15 -0.60 -1.05 116.67 124.89 2ia9 s ASP 38 Ca 0.13 -1.05 0.00 0.00 0.43 0.00 0.00 52.55 52.06 2ia9 s ASP 38 Cb -0.10 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2ia9 s ASP 38 CO 0.05 -0.48 0.00 0.61 -0.17 0.00 0.00 175.17 175.18 2ia9 n GLY 39 N 5.12 4.15 0.00 2.66 0.00 0.35 -4.87 105.19 112.60 2ia9 n GLY 39 Ca -0.11 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.85 2ia9 n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ia9 n ASN 40 N -0.32 0.00 -4.59 1.61 5.03 -1.26 -3.04 115.26 112.69 2ia9 n ASN 40 Ca 0.00 0.23 -0.41 0.00 0.87 0.00 0.00 54.58 55.28 2ia9 n ASN 40 Cb 0.00 -0.06 -0.08 0.00 -1.02 0.00 0.00 39.78 38.62 2ia9 n ASN 40 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 2ia9 s ASN 41 N -1.76 6.39 0.00 6.41 0.02 -1.26 -5.04 114.94 119.70 2ia9 s ASN 41 Ca 0.00 0.28 0.00 0.00 -1.02 0.00 0.00 52.86 52.12 2ia9 s ASN 41 Cb 0.00 -2.28 0.00 0.00 0.02 0.00 0.00 41.25 38.99 2ia9 s ASN 41 CO 0.00 -0.39 0.00 0.61 0.02 0.00 0.00 177.10 177.34 2ia9 n GLY 42 N 4.58 0.10 3.83 0.66 0.00 -1.17 -4.72 105.19 108.47 2ia9 n GLY 42 Ca -0.04 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 3.50 0.16 0.99 1.43 -1.26 -0.50 118.68 123.01 2ia9 s LEU 43 Ca 0.00 1.62 -0.20 0.00 -1.03 0.00 0.00 54.13 54.52 2ia9 s LEU 43 Cb 0.00 -4.51 0.05 0.00 0.03 0.00 0.00 46.19 41.76 2ia9 s LEU 43 CO 0.00 -0.84 0.52 0.72 0.23 0.00 0.00 176.35 176.98 2ia9 s PHE 44 N -2.68 -0.34 -0.22 0.29 -0.71 -0.22 -4.85 117.98 109.25 2ia9 s PHE 44 Ca 0.60 0.07 -0.08 0.00 -1.04 0.00 0.00 56.93 56.48 2ia9 s PHE 44 Cb -0.12 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.09 2ia9 s PHE 44 CO 0.37 -0.82 0.07 0.08 -1.34 0.00 0.00 175.22 173.59 2ia9 s VAL 45 N -3.79 4.62 0.00 -2.49 1.01 -1.26 -1.59 120.40 116.90 2ia9 s VAL 45 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2ia9 s VAL 45 Cb -0.00 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.26 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 4.23 0.00 -2.70 5.51 0.00 0.75 -4.96 120.51 123.34 2ia9 n ALA 46 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.91 2ia9 n ALA 46 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 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 1.57 3.67 -0.22 0.00 0.02 -1.23 -1.20 135.00 137.62 2ia9 s PRO 48 Ca 0.00 0.11 -0.11 0.00 0.02 0.00 0.00 61.00 61.02 2ia9 s PRO 48 Cb 0.00 -3.18 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 2ia9 s PRO 48 CO 0.00 0.72 0.19 -1.12 -0.33 0.00 0.00 177.00 176.46 2ia9 s SER 49 N -1.18 6.21 -0.08 2.53 0.01 -1.26 -1.23 113.70 118.70 2ia9 s SER 49 Ca 0.21 0.23 -0.11 0.00 1.31 0.00 0.00 55.95 57.60 2ia9 s SER 49 Cb -0.14 -2.12 -0.05 0.00 0.21 0.00 0.00 66.02 63.92 2ia9 s SER 49 CO 0.10 0.09 0.25 -0.75 0.41 0.00 0.00 173.24 173.34 2ia9 s LYS 50 N 0.80 3.72 -0.26 12.44 2.20 1.08 -4.79 119.74 134.94 2ia9 s LYS 50 Ca 0.10 0.09 -0.13 0.00 -0.36 0.00 0.00 55.97 55.66 2ia9 s LYS 50 Cb -0.13 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 2ia9 s LYS 50 CO 0.03 0.67 0.29 0.50 -0.36 0.00 0.00 175.35 176.49 2ia9 s ARG 51 N -0.84 4.03 0.94 4.03 3.52 -1.26 0.65 118.95 130.02 2ia9 s ARG 51 Ca 0.18 -0.08 -0.14 0.00 -0.13 0.00 0.00 55.73 55.56 2ia9 s ARG 51 Cb -0.14 -3.62 0.19 0.00 -1.56 0.00 0.00 34.95 29.82 2ia9 s ARG 51 CO 0.07 -0.16 1.29 0.95 -0.81 0.00 0.00 175.30 176.64 2ia9 s THR 52 N 1.71 2.01 0.14 4.11 -4.23 -0.49 -4.93 115.64 113.96 2ia9 s THR 52 Ca 0.12 -0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 60.49 2ia9 s THR 52 Cb -0.15 -2.95 -0.11 0.00 1.34 0.00 0.00 72.50 70.63 2ia9 s THR 52 CO 0.09 0.00 1.40 -0.65 -0.54 0.00 0.00 174.62 174.92 2ia9 h PRO 53 N -1.52 0.73 0.00 3.99 0.11 -1.99 -1.94 132.00 131.38 2ia9 h PRO 53 Ca -0.44 -0.52 0.00 0.00 0.11 0.00 0.00 66.00 65.16 2ia9 h PRO 53 Cb 1.24 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2ia9 h PRO 53 CO 0.39 1.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.92 2ia9 n ASP 54 N -3.95 0.00 0.00 -2.05 3.85 -1.26 -4.89 116.55 108.24 2ia9 n ASP 54 Ca -0.05 -0.52 0.00 0.00 -0.71 0.00 0.00 54.79 53.50 2ia9 n ASP 54 Cb 0.67 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.44 2ia9 n ASP 54 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ia9 n GLY 55 N -0.07 1.15 3.73 6.12 0.00 -0.73 -5.05 105.19 110.34 2ia9 n GLY 55 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.61 2.33 -0.19 1.61 0.41 -1.26 -4.72 118.70 116.26 2ia9 s GLU 56 Ca 0.00 1.68 -0.09 0.00 -0.41 0.00 0.00 54.97 56.15 2ia9 s GLU 56 Cb 0.00 -1.86 -0.05 0.00 -1.78 0.00 0.00 34.13 30.44 2ia9 s GLU 56 CO 0.00 -1.68 0.11 -0.06 -0.49 0.00 0.00 175.26 173.14 2ia9 s PHE 57 N -2.04 3.35 0.14 1.61 0.08 -1.26 -1.40 117.98 118.46 2ia9 s PHE 57 Ca 0.73 0.23 0.07 0.00 0.12 0.00 0.00 56.93 58.07 2ia9 s PHE 57 Cb -0.27 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.00 2ia9 s PHE 57 CO 0.44 0.23 -0.15 1.03 -0.10 0.00 0.00 175.22 176.67 2ia9 s ARG 58 N 0.39 1.10 0.16 0.44 1.81 0.21 -4.93 118.95 118.13 2ia9 s ARG 58 Ca 0.06 -1.31 -0.30 0.00 -1.72 0.00 0.00 55.73 52.46 2ia9 s ARG 58 Cb -0.12 -1.01 -0.08 0.00 -0.45 0.00 0.00 34.95 33.30 2ia9 s ARG 58 CO -0.01 0.19 1.25 -0.51 -0.68 0.00 0.00 175.30 175.54 2ia9 s ASP 59 N -2.58 7.00 0.26 0.23 1.01 -1.26 0.35 116.67 121.68 2ia9 s ASP 59 Ca 0.12 2.26 0.02 0.00 0.71 0.00 0.00 52.55 55.65 2ia9 s ASP 59 Cb -0.05 -2.60 0.33 0.00 1.01 0.00 0.00 42.92 41.62 2ia9 s ASP 59 CO 0.04 -0.46 1.65 0.40 0.21 0.00 0.00 175.17 177.01 2ia9 h ILE 60 N 3.92 1.30 -3.50 0.77 2.04 -1.48 -3.41 117.51 117.15 2ia9 h ILE 60 Ca -0.44 -1.50 -0.71 0.00 1.00 0.00 0.00 64.86 63.21 2ia9 h ILE 60 Cb 1.21 1.56 -0.28 0.00 -0.74 0.00 0.00 36.82 38.57 2ia9 h ILE 60 CO 0.78 0.46 -0.50 -0.89 0.00 0.00 0.00 178.15 178.00 2ia9 s THR 61 N -4.26 4.18 -0.21 -0.27 2.01 -1.26 -5.06 115.64 110.77 2ia9 s THR 61 Ca -0.06 -1.31 0.00 0.00 0.31 0.00 0.00 61.69 60.63 2ia9 s THR 61 Cb 0.13 -3.51 0.05 0.00 0.01 0.00 0.00 72.50 69.18 2ia9 s THR 61 CO 0.80 -0.43 -0.06 -2.28 -0.69 0.00 0.00 174.62 171.96 2ia9 s HIS 62 N 1.43 2.17 -0.15 4.92 2.46 -1.26 -4.88 115.29 119.98 2ia9 s HIS 62 Ca 0.02 -1.53 -0.29 0.00 0.47 0.00 0.00 55.06 53.73 2ia9 s HIS 62 Cb -0.22 -1.50 -0.02 0.00 -0.13 0.00 0.00 32.58 30.71 2ia9 s HIS 62 CO 0.03 -0.73 1.37 -2.14 -2.47 0.00 0.00 174.74 170.80 2ia9 s PRO 63 N 1.47 4.17 0.17 2.88 0.02 -1.26 -4.94 135.00 137.52 2ia9 s PRO 63 Ca -0.03 1.74 -0.12 0.00 0.02 0.00 0.00 61.00 62.61 2ia9 s PRO 63 Cb -0.18 -3.84 0.07 0.00 0.02 0.00 0.00 34.50 30.58 2ia9 s PRO 63 CO -0.07 -0.80 1.71 -0.84 -0.33 0.00 0.00 177.00 176.67 2ia9 h ILE 64 N 5.58 1.23 -3.10 2.83 -0.00 -2.00 -3.44 117.51 118.62 2ia9 h ILE 64 Ca -0.29 -0.76 -0.55 0.00 -0.00 0.00 0.00 64.86 63.26 2ia9 h ILE 64 Cb 1.12 0.64 -0.02 0.00 -0.00 0.00 0.00 36.82 38.56 2ia9 h ILE 64 CO 0.97 0.29 -0.26 0.20 -0.00 0.00 0.00 178.15 179.36 2ia9 s ASN 65 N -6.13 6.46 0.11 2.16 0.01 -1.26 -5.01 114.94 111.27 2ia9 s ASN 65 Ca -0.13 0.59 -0.04 0.00 -0.71 0.00 0.00 52.86 52.57 2ia9 s ASN 65 Cb 0.13 -2.09 -0.17 0.00 0.41 0.00 0.00 41.25 39.53 2ia9 s ASN 65 CO 0.80 -0.05 1.24 0.77 -1.51 0.00 0.00 177.10 178.35 2ia9 h SER 66 N 2.24 0.46 -0.89 -1.22 4.64 -2.00 -2.97 113.55 113.82 2ia9 h SER 66 Ca -0.47 -0.42 0.07 0.00 -0.47 0.00 0.00 61.79 60.50 2ia9 h SER 66 Cb 1.18 -0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 63.06 2ia9 h SER 66 CO 0.69 1.26 0.55 0.77 -0.87 0.00 0.00 176.83 179.23 2ia9 h SER 67 N 0.15 0.84 -0.92 4.97 4.64 -1.98 0.17 113.55 121.44 2ia9 h SER 67 Ca -0.10 0.03 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 2ia9 h SER 67 Cb 1.74 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 63.63 2ia9 h SER 67 CO 0.18 0.52 0.60 0.74 -0.87 0.00 0.00 176.83 177.99 2ia9 h THR 68 N 0.97 1.10 -0.13 2.95 2.02 -1.94 -0.10 112.91 117.77 2ia9 h THR 68 Ca 0.40 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 2ia9 h THR 68 Cb 0.24 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 2ia9 h THR 68 CO -0.20 0.20 -0.02 0.03 0.37 0.00 0.00 175.52 175.90 2ia9 h ARG 69 N 1.08 0.23 -0.34 6.66 3.08 -0.85 -1.66 114.38 122.58 2ia9 h ARG 69 Ca 0.38 -0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.43 2ia9 h ARG 69 Cb 0.14 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.09 2ia9 h ARG 69 CO -0.14 0.51 -0.18 0.78 -1.07 0.00 0.00 179.97 179.86 2ia9 h GLY 70 N -0.06 0.05 0.27 0.04 0.00 -0.23 0.22 103.07 103.37 2ia9 h GLY 70 Ca 0.03 0.23 0.07 0.00 0.00 0.00 0.00 47.33 47.66 2ia9 h GLY 70 CO 0.01 -0.18 -0.13 0.50 0.00 0.00 0.00 176.54 176.74 2ia9 h LYS 71 N -0.14 -0.07 -0.43 4.80 1.57 -0.94 0.34 116.57 121.71 2ia9 h LYS 71 Ca 0.17 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2ia9 h LYS 71 Cb 0.40 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 2ia9 h LYS 71 CO -0.42 -0.05 0.26 0.82 -0.57 0.00 0.00 179.45 179.49 2ia9 h ILE 72 N -0.07 1.14 -0.46 1.86 2.04 -0.61 -0.01 117.51 121.39 2ia9 h ILE 72 Ca 0.16 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2ia9 h ILE 72 Cb 0.31 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2ia9 h ILE 72 CO -0.36 0.14 0.16 -0.61 0.00 0.00 0.00 178.15 177.48 2ia9 h GLN 73 N 0.57 0.71 -0.45 2.37 4.15 0.78 -1.93 115.11 121.31 2ia9 h GLN 73 Ca 0.15 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 2ia9 h GLN 73 Cb -0.00 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 2ia9 h GLN 73 CO -0.03 0.66 0.18 -0.44 -1.93 0.00 0.00 178.83 177.28 2ia9 h ASP 74 N 0.61 0.61 -0.75 -0.69 3.32 -0.13 0.01 116.42 119.40 2ia9 h ASP 74 Ca 0.15 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 57.11 2ia9 h ASP 74 Cb 0.24 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 2ia9 h ASP 74 CO -0.01 0.61 0.49 0.00 -1.72 0.00 0.00 179.24 178.61 2ia9 h ALA 75 N 1.03 1.70 0.02 3.45 0.00 -0.71 -0.49 119.26 124.27 2ia9 h ALA 75 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2ia9 h ALA 75 Cb 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2ia9 h ALA 75 CO -0.01 0.17 -0.01 0.28 0.00 0.00 0.00 179.25 179.68 2ia9 h VAL 76 N 0.76 1.40 0.00 0.00 2.07 -0.91 -3.24 116.25 116.34 2ia9 h VAL 76 Ca 0.33 -1.91 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 2ia9 h VAL 76 Cb 0.29 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2ia9 h VAL 76 CO -0.11 0.45 -0.09 -0.07 0.02 0.00 0.00 177.57 177.76 2ia9 h LEU 77 N -0.94 0.00 -0.51 2.57 4.07 -0.76 -1.36 115.31 118.38 2ia9 h LEU 77 Ca -0.00 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.80 2ia9 h LEU 77 Cb 0.76 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.49 2ia9 h LEU 77 CO 0.00 0.09 -0.55 0.78 -1.08 0.00 0.00 178.44 177.69 2ia9 h ASN 78 N 0.00 0.62 -0.14 -0.43 2.35 -1.21 0.55 115.58 117.32 2ia9 h ASN 78 Ca -0.00 -0.33 -0.19 0.00 -0.55 0.00 0.00 56.30 55.23 2ia9 h ASN 78 Cb 0.17 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 2ia9 h ASN 78 CO 0.01 1.05 -0.60 -0.08 -1.65 0.00 0.00 177.43 176.16 2ia9 h GLU 79 N 0.43 0.74 -0.40 0.81 4.57 -1.37 0.17 114.58 119.53 2ia9 h GLU 79 Ca 0.01 -0.50 -0.14 0.00 -1.18 0.00 0.00 59.36 57.55 2ia9 h GLU 79 Cb 1.10 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 2ia9 h GLU 79 CO 0.10 1.12 -0.30 -0.92 -1.18 0.00 0.00 179.01 177.83 2ia9 h TYR 80 N 0.56 1.04 -0.14 0.92 5.03 -1.16 -1.60 116.97 121.61 2ia9 h TYR 80 Ca -0.00 -0.28 -0.16 0.00 2.58 0.00 0.00 58.73 60.87 2ia9 h TYR 80 Cb 1.19 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 39.23 2ia9 h TYR 80 CO 0.07 1.07 -0.57 0.45 -1.32 0.00 0.00 178.16 177.86 2ia9 h HIS 81 N 0.75 0.57 -0.06 -3.82 3.86 -0.81 -3.00 115.15 112.66 2ia9 h HIS 81 Ca 0.08 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 2ia9 h HIS 81 Cb 0.87 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 29.23 2ia9 h HIS 81 CO 0.05 0.92 -0.01 -0.09 0.86 0.00 0.00 177.93 179.66 2ia9 h ARG 82 N 0.34 0.10 -0.46 2.45 2.43 -0.40 -2.67 114.38 116.17 2ia9 h ARG 82 Ca 0.00 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.23 2ia9 h ARG 82 Cb 1.10 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.56 2ia9 h ARG 82 CO 0.10 0.42 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.84 2ia9 h LEU 83 N -0.22 -0.32 -0.29 3.80 4.07 -1.32 -1.05 115.31 119.98 2ia9 h LEU 83 Ca 0.01 0.13 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 2ia9 h LEU 83 Cb 0.37 0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.35 2ia9 h LEU 83 CO 0.00 -0.11 0.09 1.23 -1.08 0.00 0.00 178.44 178.57 2ia9 h GLY 84 N 0.05 0.47 2.00 0.83 0.00 -1.47 0.18 103.07 105.13 2ia9 h GLY 84 Ca 0.23 -0.28 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 2ia9 h GLY 84 CO -0.43 0.26 -0.44 -0.55 0.00 0.00 0.00 176.54 175.38 2ia9 h ASP 85 N 0.30 0.00 -0.11 0.19 5.19 -1.42 -1.35 116.42 119.22 2ia9 h ASP 85 Ca 0.09 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.40 2ia9 h ASP 85 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 2ia9 h ASP 85 CO -0.00 0.44 -0.32 0.74 -3.12 0.00 0.00 179.24 176.97 2ia9 h THR 86 N 0.00 1.39 -0.69 0.35 2.02 -0.93 -2.72 112.91 112.32 2ia9 h THR 86 Ca -0.00 -1.65 0.14 0.00 0.77 0.00 0.00 66.41 65.67 2ia9 h THR 86 Cb 1.00 2.15 -0.13 0.00 -1.74 0.00 0.00 68.15 69.43 2ia9 h THR 86 CO 0.06 0.48 -0.21 -0.08 0.37 0.00 0.00 175.52 176.14 2ia9 h GLU 87 N -0.02 -0.03 -0.35 6.66 4.57 -0.35 -1.45 114.58 123.61 2ia9 h GLU 87 Ca -0.01 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 2ia9 h GLU 87 Cb 0.94 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 2ia9 h GLU 87 CO 0.07 -0.02 -0.28 0.00 -1.18 0.00 0.00 179.01 177.60 2ia9 h ALA 88 N 1.57 0.85 -0.16 2.92 0.00 -1.28 -2.76 119.26 120.41 2ia9 h ALA 88 Ca 0.32 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2ia9 h ALA 88 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2ia9 h ALA 88 CO -0.73 0.64 0.07 1.25 0.00 0.00 0.00 179.25 180.48 2ia9 h LEU 89 N 0.62 0.19 0.16 0.00 7.12 -0.98 -1.97 115.31 120.46 2ia9 h LEU 89 Ca 0.08 -0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.09 2ia9 h LEU 89 Cb 0.79 -0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 40.83 2ia9 h LEU 89 CO 0.07 0.17 -0.45 -0.33 -0.13 0.00 0.00 178.44 177.76 2ia9 h GLU 90 N 0.22 -0.69 -0.89 1.25 3.07 -0.99 -3.08 114.58 113.46 2ia9 h GLU 90 Ca 0.06 0.05 0.05 0.00 -0.50 0.00 0.00 59.36 59.02 2ia9 h GLU 90 Cb 0.03 0.16 -0.06 0.00 -0.84 0.00 0.00 28.75 28.04 2ia9 h GLU 90 CO -0.01 -0.46 0.57 0.35 -1.40 0.00 0.00 179.01 178.06 2ia9 h PHE 91 N -0.72 1.05 0.00 4.33 3.04 -1.41 -0.59 116.94 122.65 2ia9 h PHE 91 Ca 0.01 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 2ia9 h PHE 91 Cb 0.72 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.89 2ia9 h PHE 91 CO -0.37 0.56 0.03 0.93 -2.02 0.00 0.00 178.31 177.43 2ia9 h GLU 92 N 1.05 0.00 0.00 1.11 5.08 -1.45 -3.53 114.58 116.84 2ia9 h GLU 92 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2ia9 h GLU 92 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2ia9 h GLU 92 CO -0.16 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.24