#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w46 s LEU 11 N 0.00 3.25 -0.27 -1.96 2.96 -1.26 -1.00 118.68 120.40 2w46 s LEU 11 Ca 0.00 -1.26 -0.10 0.00 -0.22 0.00 0.00 54.13 52.54 2w46 s LEU 11 Cb 0.00 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.09 2w46 s LEU 11 CO 0.00 -0.16 0.17 -0.76 -1.32 0.00 0.00 176.35 174.28 2w46 s LEU 12 N 1.14 3.97 0.13 -0.68 1.43 0.17 -4.96 118.68 119.88 2w46 s LEU 12 Ca -0.06 -0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.10 2w46 s LEU 12 Cb -0.19 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 2w46 s LEU 12 CO -0.06 -0.03 -0.12 -1.10 0.23 0.00 0.00 176.35 175.27 2w46 s GLN 13 N 1.64 2.03 0.31 1.70 -1.52 -1.26 -1.48 119.66 121.08 2w46 s GLN 13 Ca 0.07 -1.13 -0.25 0.00 -1.95 0.00 0.00 55.36 52.11 2w46 s GLN 13 Cb -0.16 -2.22 -0.15 0.00 -0.22 0.00 0.00 33.01 30.26 2w46 s GLN 13 CO 0.09 0.48 0.45 -0.85 -0.25 0.00 0.00 175.29 175.22 2w46 n GLU 14 N 0.54 0.26 -1.38 2.91 0.00 -1.26 -2.56 120.64 119.15 2w46 n GLU 14 Ca -0.13 0.09 -0.13 0.00 0.00 0.00 0.00 57.16 56.99 2w46 n GLU 14 Cb 0.53 -1.19 -0.06 0.00 0.00 0.00 0.00 31.44 30.72 2w46 n GLU 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2w46 n ALA 15 N -0.45 -0.20 -2.30 -1.84 0.00 -1.26 -4.71 120.51 109.75 2w46 n ALA 15 Ca 0.14 0.21 -0.16 0.00 0.00 0.00 0.00 53.44 53.63 2w46 n ALA 15 Cb 0.33 -1.48 -0.10 0.00 0.00 0.00 0.00 19.45 18.20 2w46 n ALA 15 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2w46 s GLN 16 N -3.11 1.29 0.20 0.00 -1.52 -1.06 -5.08 119.66 110.39 2w46 s GLN 16 Ca 0.00 -1.66 -0.32 0.00 -1.95 0.00 0.00 55.36 51.43 2w46 s GLN 16 Cb 0.00 -0.40 -0.15 0.00 -0.22 0.00 0.00 33.01 32.24 2w46 s GLN 16 CO 0.00 -0.17 1.19 0.00 -0.25 0.00 0.00 175.29 176.06 2w46 n ALA 17 N -0.38 -0.31 -0.15 6.09 0.00 -1.26 -1.87 120.51 122.63 2w46 n ALA 17 Ca -0.04 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2w46 n ALA 17 Cb 0.64 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 18.02 2w46 n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w46 n GLY 18 N 1.93 1.04 3.58 0.00 0.00 -1.26 -4.81 105.19 105.66 2w46 n GLY 18 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2w46 n GLY 18 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2w46 s PHE 19 N -2.56 3.21 -0.24 1.61 5.36 -0.78 -1.13 117.98 123.44 2w46 s PHE 19 Ca 0.00 0.33 -0.00 0.00 -0.96 0.00 0.00 56.93 56.30 2w46 s PHE 19 Cb 0.00 -2.82 -0.15 0.00 -0.34 0.00 0.00 43.02 39.71 2w46 s PHE 19 CO 0.00 -0.43 -0.22 0.00 -1.46 0.00 0.00 175.22 173.11 2w46 s ARG 21 N -2.47 0.59 -0.04 0.00 3.52 -1.02 -4.95 118.95 114.58 2w46 s ARG 21 Ca -0.32 0.35 0.05 0.00 -0.13 0.00 0.00 55.73 55.67 2w46 s ARG 21 Cb 0.09 0.28 -0.01 0.00 -1.56 0.00 0.00 34.95 33.76 2w46 s ARG 21 CO 0.53 -0.14 -0.17 0.54 -0.81 0.00 0.00 175.30 175.25 2w46 s VAL 22 N -0.56 1.43 -0.76 7.11 0.11 -1.26 -0.81 120.40 125.66 2w46 s VAL 22 Ca -0.00 -0.73 -0.23 0.00 -2.93 0.00 0.00 61.98 58.09 2w46 s VAL 22 Cb -0.02 -1.22 0.07 0.00 -1.53 0.00 0.00 36.38 33.68 2w46 s VAL 22 CO -0.01 0.41 1.10 -1.81 -3.33 0.00 0.00 175.10 171.46 2w46 s ASP 23 N -0.05 6.29 0.00 3.54 1.01 -0.34 -4.72 116.67 122.41 2w46 s ASP 23 Ca -0.02 -1.15 0.00 0.00 0.71 0.00 0.00 52.55 52.09 2w46 s ASP 23 Cb -0.11 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.37 2w46 s ASP 23 CO 0.02 -1.45 0.00 0.61 0.21 0.00 0.00 175.17 174.56 2w46 n GLY 24 N 5.53 0.56 3.34 0.21 0.00 -1.26 -0.65 105.19 112.92 2w46 n GLY 24 Ca 0.06 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.45 2w46 n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2w46 s THR 25 N -3.76 1.10 -0.29 2.61 -4.23 -0.37 -4.91 115.64 105.80 2w46 s THR 25 Ca 0.00 -2.04 -0.12 0.00 -1.18 0.00 0.00 61.69 58.35 2w46 s THR 25 Cb 0.00 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 2w46 s THR 25 CO 0.00 -0.34 0.21 -0.63 -0.54 0.00 0.00 174.62 173.32 2w46 s ILE 26 N -3.37 5.30 0.43 2.99 1.01 -1.26 -0.42 121.20 125.87 2w46 s ILE 26 Ca 0.28 0.12 0.06 0.00 0.00 0.00 0.00 60.65 61.11 2w46 s ILE 26 Cb 0.05 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 2w46 s ILE 26 CO 0.09 0.19 0.05 -1.81 0.00 0.00 0.00 174.94 173.45 2w46 s ASP 27 N 1.75 4.03 0.00 3.58 1.11 0.06 -4.89 116.67 122.31 2w46 s ASP 27 Ca 0.07 -1.37 0.03 0.00 0.18 0.00 0.00 52.55 51.46 2w46 s ASP 27 Cb -0.16 -0.23 0.05 0.00 1.07 0.00 0.00 42.92 43.65 2w46 s ASP 27 CO 0.11 -0.55 0.81 -0.46 1.18 0.00 0.00 175.17 176.26 2w46 n ASN 28 N -1.08 -0.05 -0.90 0.27 0.23 -1.26 -1.05 115.26 111.41 2w46 n ASN 28 Ca -0.07 -1.58 0.12 0.00 -0.53 0.00 0.00 54.58 52.52 2w46 n ASN 28 Cb 0.67 -0.04 0.25 0.00 -2.08 0.00 0.00 39.78 38.57 2w46 n ASN 28 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2w46 n ASN 29 N 0.06 2.74 -4.32 0.53 6.94 -1.26 -4.77 115.26 115.18 2w46 n ASN 29 Ca -0.04 -1.88 -0.32 0.00 -0.02 0.00 0.00 54.58 52.31 2w46 n ASN 29 Cb 0.67 -0.11 -0.15 0.00 -2.36 0.00 0.00 39.78 37.83 2w46 n ASN 29 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 2w46 s HIS 30 N -1.78 2.63 0.84 -2.53 3.76 -1.26 -5.13 115.29 111.82 2w46 s HIS 30 Ca 0.34 -0.68 -0.10 0.00 -0.15 0.00 0.00 55.06 54.47 2w46 s HIS 30 Cb 0.21 -1.71 0.10 0.00 1.11 0.00 0.00 32.58 32.29 2w46 s HIS 30 CO 0.30 -0.19 1.12 0.95 -0.85 0.00 0.00 174.74 176.07 2w46 s THR 31 N 0.02 2.72 0.00 1.30 -4.23 -1.26 -4.38 115.64 109.80 2w46 s THR 31 Ca -0.07 0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 2w46 s THR 31 Cb -0.15 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2w46 s THR 31 CO 0.05 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 2w46 n GLY 32 N -0.52 0.50 3.75 3.99 0.00 -1.26 -4.53 105.19 107.11 2w46 n GLY 32 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2w46 n GLY 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2w46 s PHE 33 N -2.00 1.45 0.32 1.61 -0.12 -1.26 -4.92 117.98 113.05 2w46 s PHE 33 Ca 0.00 0.57 0.07 0.00 -0.05 0.00 0.00 56.93 57.52 2w46 s PHE 33 Cb 0.00 -3.61 -0.06 0.00 -0.63 0.00 0.00 43.02 38.71 2w46 s PHE 33 CO 0.00 -3.06 -0.04 0.95 -0.05 0.00 0.00 175.22 173.01 2w46 s THR 34 N -3.33 1.77 0.00 -4.49 -4.23 -1.26 -5.03 115.64 99.07 2w46 s THR 34 Ca 0.69 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 2w46 s THR 34 Cb -0.10 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.13 2w46 s THR 34 CO 0.54 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 2w46 n GLY 35 N -0.70 0.29 0.14 3.99 0.00 -1.26 -3.82 105.19 103.84 2w46 n GLY 35 Ca -0.05 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.19 2w46 n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2w46 n SER 36 N -1.78 0.93 0.00 1.61 3.41 -1.26 -5.02 113.62 111.51 2w46 n SER 36 Ca 0.00 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 2w46 n SER 36 Cb 0.00 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2w46 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2w46 n GLY 37 N 1.43 -0.99 3.30 5.00 0.00 -1.25 -4.75 105.19 107.94 2w46 n GLY 37 Ca 0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 2w46 n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2w46 s PHE 38 N -4.00 -0.19 -0.01 1.61 -0.12 -0.22 -4.42 117.98 110.64 2w46 s PHE 38 Ca 0.00 -0.05 -0.24 0.00 -0.05 0.00 0.00 56.93 56.60 2w46 s PHE 38 Cb 0.00 0.21 -0.05 0.00 -0.63 0.00 0.00 43.02 42.55 2w46 s PHE 38 CO 0.00 -0.64 0.72 0.00 -0.05 0.00 0.00 175.22 175.25 2w46 s ALA 39 N -3.34 3.37 -0.34 1.99 0.00 0.44 -0.76 121.76 123.12 2w46 s ALA 39 Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.18 2w46 s ALA 39 Cb 0.01 -2.95 0.10 0.00 0.00 0.00 0.00 23.12 20.28 2w46 s ALA 39 CO -0.09 0.00 0.05 1.21 0.00 0.00 0.00 175.76 176.94 2w46 s ASN 40 N 0.31 4.79 0.63 0.00 3.84 0.44 -0.84 114.94 124.11 2w46 s ASN 40 Ca 0.37 -2.12 -0.17 0.00 0.21 0.00 0.00 52.86 51.15 2w46 s ASN 40 Cb -0.19 -1.64 -0.02 0.00 -0.55 0.00 0.00 41.25 38.85 2w46 s ASN 40 CO 0.20 -0.38 1.16 0.42 -2.79 0.00 0.00 177.10 175.71 2w46 s THR 41 N 0.92 2.85 0.64 -5.21 -4.23 -1.26 -1.24 115.64 108.11 2w46 s THR 41 Ca 0.10 0.47 -0.17 0.00 -1.18 0.00 0.00 61.69 60.91 2w46 s THR 41 Cb -0.19 -3.08 -0.10 0.00 1.34 0.00 0.00 72.50 70.46 2w46 s THR 41 CO -0.08 -0.18 0.14 0.59 -0.54 0.00 0.00 174.62 174.56 2w46 n ASN 42 N -1.99 -2.59 -4.21 3.99 3.02 0.18 -4.83 115.26 108.83 2w46 n ASN 42 Ca 0.12 0.61 -0.43 0.00 -0.03 0.00 0.00 54.58 54.85 2w46 n ASN 42 Cb 0.51 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 2w46 n ASN 42 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2w46 n ASN 43 N 1.33 4.87 -3.71 6.41 3.02 -1.26 -4.17 115.26 121.75 2w46 n ASN 43 Ca 0.08 -2.97 -0.13 0.00 -0.03 0.00 0.00 54.58 51.54 2w46 n ASN 43 Cb 0.49 -1.61 -0.10 0.00 -0.61 0.00 0.00 39.78 37.95 2w46 n ASN 43 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2w46 s ALA 44 N 2.23 -1.14 0.37 5.41 0.00 -1.03 -4.66 121.76 122.95 2w46 s ALA 44 Ca 0.46 1.37 -0.28 0.00 0.00 0.00 0.00 51.96 53.50 2w46 s ALA 44 Cb 0.05 -0.80 -0.11 0.00 0.00 0.00 0.00 23.12 22.26 2w46 s ALA 44 CO 0.01 -0.23 1.44 0.94 0.00 0.00 0.00 175.76 177.91 2w46 n GLN 45 N 3.11 2.52 0.00 0.00 7.27 -1.14 -2.01 117.38 127.13 2w46 n GLN 45 Ca -0.15 0.88 0.00 0.00 0.07 0.00 0.00 57.00 57.80 2w46 n GLN 45 Cb 0.57 -2.59 0.00 0.00 2.41 0.00 0.00 30.24 30.63 2w46 n GLN 45 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2w46 n GLY 46 N 0.53 2.41 3.72 1.69 0.00 0.78 -4.93 105.19 109.40 2w46 n GLY 46 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2w46 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w46 n ALA 47 N -0.44 2.29 -2.40 4.61 0.00 -0.85 -4.49 120.51 119.22 2w46 n ALA 47 Ca 0.00 0.40 -0.20 0.00 0.00 0.00 0.00 53.44 53.63 2w46 n ALA 47 Cb 0.00 -2.44 -0.11 0.00 0.00 0.00 0.00 19.45 16.90 2w46 n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2w46 s ALA 48 N 0.49 2.07 -0.04 0.00 0.00 -1.26 -0.83 121.76 122.18 2w46 s ALA 48 Ca 0.70 -1.60 0.06 0.00 0.00 0.00 0.00 51.96 51.12 2w46 s ALA 48 Cb -0.55 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 2w46 s ALA 48 CO 0.42 0.15 -0.21 0.08 0.00 0.00 0.00 175.76 176.20 2w46 s VAL 49 N -2.54 2.47 -0.04 0.00 1.01 -0.19 -1.20 120.40 119.91 2w46 s VAL 49 Ca 0.20 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2w46 s VAL 49 Cb -0.03 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.44 2w46 s VAL 49 CO 0.07 0.58 -0.07 -0.69 0.00 0.00 0.00 175.10 174.99 2w46 s VAL 50 N -0.52 0.70 0.29 2.92 1.01 0.01 -0.86 120.40 123.95 2w46 s VAL 50 Ca 0.07 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.85 2w46 s VAL 50 Cb -0.11 -0.66 -0.06 0.00 0.00 0.00 0.00 36.38 35.55 2w46 s VAL 50 CO 0.01 0.24 -0.02 0.26 0.00 0.00 0.00 175.10 175.59 2w46 s TRP 51 N 0.57 1.94 -0.07 5.22 0.51 -0.16 -0.10 118.94 126.84 2w46 s TRP 51 Ca -0.09 -0.78 0.02 0.00 -2.12 0.00 0.00 56.10 53.13 2w46 s TRP 51 Cb -0.12 -1.16 0.01 0.00 -0.81 0.00 0.00 33.47 31.39 2w46 s TRP 51 CO 0.01 0.19 -0.13 0.00 -0.51 0.00 0.00 176.95 176.51 2w46 s ALA 52 N -3.11 1.36 -0.07 0.98 0.00 -0.29 -0.53 121.76 120.10 2w46 s ALA 52 Ca 0.31 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.81 2w46 s ALA 52 Cb 0.05 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.57 2w46 s ALA 52 CO 0.13 0.09 -0.11 0.42 0.00 0.00 0.00 175.76 176.28 2w46 s ILE 53 N 0.72 1.10 -0.11 0.00 1.01 0.00 0.11 121.20 124.03 2w46 s ILE 53 Ca -0.13 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 59.88 2w46 s ILE 53 Cb -0.16 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2w46 s ILE 53 CO 0.03 0.35 0.51 -0.62 0.00 0.00 0.00 174.94 175.22 2w46 s ASP 54 N 0.81 6.74 -0.15 3.58 2.15 0.88 -0.00 116.67 130.68 2w46 s ASP 54 Ca -0.12 0.88 -0.00 0.00 0.43 0.00 0.00 52.55 53.73 2w46 s ASP 54 Cb -0.15 -2.31 -0.01 0.00 -0.30 0.00 0.00 42.92 40.15 2w46 s ASP 54 CO 0.02 -0.01 -0.13 0.00 -0.17 0.00 0.00 175.17 174.88 2w46 s ALA 55 N 0.63 2.60 0.21 3.66 0.00 -0.01 -1.26 121.76 127.60 2w46 s ALA 55 Ca 0.28 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 2w46 s ALA 55 Cb -0.16 -1.28 0.19 0.00 0.00 0.00 0.00 23.12 21.88 2w46 s ALA 55 CO 0.12 0.07 1.87 1.15 0.00 0.00 0.00 175.76 178.97 2w46 h THR 56 N 5.53 1.15 -4.16 0.00 2.02 -1.62 0.13 112.91 115.96 2w46 h THR 56 Ca -0.30 -0.33 -0.19 0.00 0.77 0.00 0.00 66.41 66.35 2w46 h THR 56 Cb 1.20 0.09 -0.15 0.00 -1.74 0.00 0.00 68.15 67.55 2w46 h THR 56 CO 0.57 0.18 -0.67 -0.44 0.37 0.00 0.00 175.52 175.53 2w46 s SER 57 N -5.83 0.65 0.83 4.18 0.01 -1.26 -4.48 113.70 107.80 2w46 s SER 57 Ca -0.13 -1.11 -0.11 0.00 1.31 0.00 0.00 55.95 55.91 2w46 s SER 57 Cb 0.16 0.21 0.10 0.00 0.21 0.00 0.00 66.02 66.69 2w46 s SER 57 CO 0.78 -0.63 1.13 -0.44 0.41 0.00 0.00 173.24 174.50 2w46 s SER 58 N -3.04 3.72 0.00 2.44 0.01 -1.26 -4.09 113.70 111.48 2w46 s SER 58 Ca 0.18 2.08 0.00 0.00 1.31 0.00 0.00 55.95 59.52 2w46 s SER 58 Cb 0.07 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2w46 s SER 58 CO -0.02 -2.57 0.00 0.61 0.41 0.00 0.00 173.24 171.67 2w46 n GLY 59 N -0.27 3.03 3.73 3.44 0.00 -0.56 -4.84 105.19 109.71 2w46 n GLY 59 Ca 0.11 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 2w46 n GLY 59 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2w46 s ARG 60 N -2.00 4.30 0.09 1.61 3.52 -1.26 -1.10 118.95 124.12 2w46 s ARG 60 Ca 0.00 2.19 0.09 0.00 -0.13 0.00 0.00 55.73 57.88 2w46 s ARG 60 Cb 0.00 -3.18 -0.03 0.00 -1.56 0.00 0.00 34.95 30.18 2w46 s ARG 60 CO 0.00 -0.43 -0.24 1.03 -0.81 0.00 0.00 175.30 174.85 2w46 s ARG 61 N 0.47 1.39 -0.23 5.12 3.00 0.79 -4.69 118.95 124.80 2w46 s ARG 61 Ca 0.63 -1.19 -0.15 0.00 0.00 0.00 0.00 55.73 55.01 2w46 s ARG 61 Cb -0.40 -1.71 -0.04 0.00 0.00 0.00 0.00 34.95 32.81 2w46 s ARG 61 CO 0.35 0.41 0.39 0.99 0.00 0.00 0.00 175.30 177.44 2w46 s THR 62 N -1.00 5.19 -0.18 0.02 2.01 0.10 -1.37 115.64 120.41 2w46 s THR 62 Ca 0.10 0.64 -0.08 0.00 0.31 0.00 0.00 61.69 62.67 2w46 s THR 62 Cb -0.10 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 2w46 s THR 62 CO 0.04 0.21 0.07 -0.76 -0.69 0.00 0.00 174.62 173.49 2w46 s LEU 63 N 1.64 3.87 -0.17 4.42 1.43 0.09 -1.34 118.68 128.62 2w46 s LEU 63 Ca 0.17 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 2w46 s LEU 63 Cb -0.15 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.11 2w46 s LEU 63 CO 0.08 0.18 -0.19 -0.89 0.23 0.00 0.00 176.35 175.77 2w46 s THR 64 N 0.33 1.92 -0.21 5.49 2.01 0.18 -1.45 115.64 123.90 2w46 s THR 64 Ca 0.04 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 2w46 s THR 64 Cb -0.12 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 2w46 s THR 64 CO -0.00 0.52 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.76 2w46 s ILE 65 N 1.29 3.28 -0.17 1.82 1.01 0.33 -0.71 121.20 128.05 2w46 s ILE 65 Ca 0.03 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 2w46 s ILE 65 Cb -0.13 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 2w46 s ILE 65 CO -0.11 0.44 0.20 -0.60 0.00 0.00 0.00 174.94 174.86 2w46 s ARG 66 N 1.39 4.14 0.12 2.79 3.52 -0.83 -0.74 118.95 129.34 2w46 s ARG 66 Ca 0.05 -0.09 -0.12 0.00 -0.13 0.00 0.00 55.73 55.44 2w46 s ARG 66 Cb -0.14 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 2w46 s ARG 66 CO -0.03 0.33 0.30 1.52 -0.81 0.00 0.00 175.30 176.60 2w46 s TYR 67 N 0.24 0.03 -0.02 5.12 -0.85 -0.21 -0.04 117.35 121.62 2w46 s TYR 67 Ca 0.12 -0.41 0.05 0.00 -0.52 0.00 0.00 57.07 56.31 2w46 s TYR 67 Cb -0.12 0.08 -0.01 0.00 0.38 0.00 0.00 41.96 42.30 2w46 s TYR 67 CO 0.01 -0.64 -0.16 0.00 -1.52 0.00 0.00 175.55 173.24 2w46 s ALA 68 N -3.85 1.32 -0.35 9.51 0.00 -0.61 -0.46 121.76 127.32 2w46 s ALA 68 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2w46 s ALA 68 Cb 0.03 -0.36 0.14 0.00 0.00 0.00 0.00 23.12 22.93 2w46 s ALA 68 CO -0.10 0.30 0.21 1.21 0.00 0.00 0.00 175.76 177.38 2w46 s ASN 69 N -0.26 3.01 0.00 0.00 3.84 -1.26 -0.70 114.94 119.56 2w46 s ASN 69 Ca 0.04 -2.18 0.18 0.00 0.21 0.00 0.00 52.86 51.11 2w46 s ASN 69 Cb -0.07 -0.42 0.85 0.00 -0.55 0.00 0.00 41.25 41.06 2w46 s ASN 69 CO -0.00 -0.31 1.58 0.61 -2.79 0.00 0.00 177.10 176.18 2w46 n GLY 70 N 4.06 -0.40 3.93 1.21 0.00 -1.25 -0.55 105.19 112.18 2w46 n GLY 70 Ca 0.11 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 2w46 n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2w46 s GLY 71 N -1.51 1.69 -0.04 -0.02 0.00 -1.26 -4.71 107.32 101.48 2w46 s GLY 71 Ca 0.28 -0.98 -0.25 0.00 0.00 0.00 0.00 44.72 43.76 2w46 s GLY 71 CO 0.22 -0.53 1.13 0.00 0.00 0.00 0.00 173.10 173.92 2w46 h THR 72 N -0.71 1.28 -4.24 0.90 1.03 -2.01 -3.43 112.91 105.72 2w46 h THR 72 Ca -0.44 -1.23 -0.48 0.00 -0.01 0.00 0.00 66.41 64.24 2w46 h THR 72 Cb 1.31 2.07 0.03 0.00 -1.07 0.00 0.00 68.15 70.49 2w46 h THR 72 CO 0.58 0.30 0.39 0.00 -0.01 0.00 0.00 175.52 176.78 2w46 s ALA 73 N -3.96 3.04 0.49 0.00 0.00 -1.26 -4.45 121.76 115.62 2w46 s ALA 73 Ca -0.15 0.12 -0.22 0.00 0.00 0.00 0.00 51.96 51.71 2w46 s ALA 73 Cb 0.01 -3.12 -0.08 0.00 0.00 0.00 0.00 23.12 19.93 2w46 s ALA 73 CO 0.63 -0.42 1.01 0.09 0.00 0.00 0.00 175.76 177.06 2w46 n ASN 74 N -1.97 1.18 -3.19 0.00 4.13 -1.26 -4.28 115.26 109.87 2w46 n ASN 74 Ca 0.07 0.95 -0.26 0.00 1.68 0.00 0.00 54.58 57.02 2w46 n ASN 74 Cb 0.54 -1.38 -0.06 0.00 -1.54 0.00 0.00 39.78 37.34 2w46 n ASN 74 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2w46 n ARG 75 N -0.28 2.43 -1.39 3.52 1.74 -0.49 -4.99 116.66 117.21 2w46 n ARG 75 Ca 0.11 -4.45 -0.33 0.00 -0.77 0.00 0.00 57.85 52.40 2w46 n ARG 75 Cb 0.42 -2.08 0.09 0.00 -1.02 0.00 0.00 32.46 29.88 2w46 n ARG 75 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2w46 s ASN 76 N -2.70 4.25 0.18 0.55 -0.87 -1.26 -4.23 114.94 110.86 2w46 s ASN 76 Ca 0.43 2.20 0.11 0.00 -1.57 0.00 0.00 52.86 54.02 2w46 s ASN 76 Cb 0.22 -2.57 -0.04 0.00 -0.02 0.00 0.00 41.25 38.84 2w46 s ASN 76 CO -0.08 -2.21 -0.23 -0.83 -2.57 0.00 0.00 177.10 171.18 2w46 s GLY 77 N -2.38 1.61 -0.17 0.66 0.00 -0.10 -2.13 107.32 104.81 2w46 s GLY 77 Ca 0.70 -1.58 -0.06 0.00 0.00 0.00 0.00 44.72 43.79 2w46 s GLY 77 CO 0.47 -1.60 0.03 -0.45 0.00 0.00 0.00 173.10 171.55 2w46 s SER 78 N -2.59 5.41 -0.17 1.64 0.15 0.61 -0.67 113.70 118.08 2w46 s SER 78 Ca 0.18 0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.87 2w46 s SER 78 Cb -0.08 -1.89 -0.00 0.00 -1.71 0.00 0.00 66.02 62.34 2w46 s SER 78 CO 0.09 0.19 -0.13 -0.22 1.20 0.00 0.00 173.24 174.37 2w46 s LEU 79 N 0.25 2.55 -0.06 3.45 2.96 -0.30 -0.31 118.68 127.22 2w46 s LEU 79 Ca 0.02 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 2w46 s LEU 79 Cb -0.13 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 2w46 s LEU 79 CO 0.01 0.05 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.20 2w46 s VAL 80 N 1.03 1.68 -0.20 1.68 1.01 0.22 -0.85 120.40 124.98 2w46 s VAL 80 Ca -0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 2w46 s VAL 80 Cb -0.15 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 2w46 s VAL 80 CO -0.03 0.48 -0.05 -0.63 0.00 0.00 0.00 175.10 174.87 2w46 s ILE 81 N 0.13 3.49 -1.24 2.22 -1.09 -1.26 -1.03 121.20 122.42 2w46 s ILE 81 Ca -0.08 -0.47 -0.01 0.00 -2.23 0.00 0.00 60.65 57.85 2w46 s ILE 81 Cb -0.14 -2.56 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 2w46 s ILE 81 CO 0.04 0.45 0.98 0.59 -1.23 0.00 0.00 174.94 175.76 2w46 n ASN 82 N 4.36 -2.49 -2.55 3.58 3.02 0.89 -4.06 115.26 118.01 2w46 n ASN 82 Ca -0.18 -0.65 -0.16 0.00 -0.03 0.00 0.00 54.58 53.56 2w46 n ASN 82 Cb 0.51 -4.92 -0.11 0.00 -0.61 0.00 0.00 39.78 34.65 2w46 n ASN 82 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2w46 n GLY 83 N -1.32 -0.28 0.08 7.41 0.00 -1.26 -5.03 105.19 104.79 2w46 n GLY 83 Ca -0.25 0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2w46 n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2w46 h GLY 87 N 6.44 -0.11 -2.94 -0.02 0.00 -1.71 -3.53 103.07 101.21 2w46 h GLY 87 Ca 0.00 0.04 -0.45 0.00 0.00 0.00 0.00 47.33 46.92 2w46 h GLY 87 CO 0.88 -0.04 -0.36 -1.31 0.00 0.00 0.00 176.54 175.71 2w46 s ASN 88 N -5.32 6.13 0.26 0.19 0.01 -1.26 -5.04 114.94 109.91 2w46 s ASN 88 Ca -0.14 -0.02 0.10 0.00 -0.71 0.00 0.00 52.86 52.08 2w46 s ASN 88 Cb 0.04 -1.55 -0.05 0.00 0.41 0.00 0.00 41.25 40.09 2w46 s ASN 88 CO 0.65 -0.28 -0.16 -0.31 -1.51 0.00 0.00 177.10 175.48 2w46 s TYR 89 N -2.11 2.06 -0.02 2.20 2.02 -0.03 -4.99 117.35 116.48 2w46 s TYR 89 Ca 0.40 -0.45 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 2w46 s TYR 89 Cb -0.09 -0.95 -0.03 0.00 -0.40 0.00 0.00 41.96 40.49 2w46 s TYR 89 CO 0.31 0.55 -0.05 0.95 -1.57 0.00 0.00 175.55 175.74 2w46 s THR 90 N -2.72 3.83 -0.14 -0.71 -4.23 -1.26 -1.15 115.64 109.27 2w46 s THR 90 Ca 0.27 -0.64 0.01 0.00 -1.18 0.00 0.00 61.69 60.15 2w46 s THR 90 Cb -0.02 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 71.18 2w46 s THR 90 CO 0.12 0.44 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.81 2w46 s VAL 91 N -0.98 1.51 0.02 2.29 1.01 0.16 -4.89 120.40 119.51 2w46 s VAL 91 Ca 0.17 -0.61 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 2w46 s VAL 91 Cb -0.11 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 2w46 s VAL 91 CO 0.07 0.45 0.70 -0.44 0.00 0.00 0.00 175.10 175.87 2w46 s SER 92 N 1.39 7.10 -0.47 3.32 0.01 -1.26 -0.93 113.70 122.86 2w46 s SER 92 Ca 0.02 1.32 0.07 0.00 1.31 0.00 0.00 55.95 58.67 2w46 s SER 92 Cb -0.13 -2.42 0.24 0.00 0.21 0.00 0.00 66.02 63.91 2w46 s SER 92 CO -0.08 0.03 0.56 0.18 0.41 0.00 0.00 173.24 174.34 2w46 n LEU 93 N 2.87 1.15 -4.72 2.44 4.77 -1.26 -4.84 117.00 117.41 2w46 n LEU 93 Ca -0.04 -4.88 -0.29 0.00 -0.03 0.00 0.00 56.01 50.77 2w46 n LEU 93 Cb 0.51 0.25 0.14 0.00 -2.33 0.00 0.00 43.42 41.98 2w46 n LEU 93 CO 0.46 2.04 0.67 -2.16 -1.33 0.00 0.00 177.39 177.07 2w46 s PRO 94 N -1.43 1.14 0.45 3.23 0.04 -1.26 -1.40 135.00 135.77 2w46 s PRO 94 Ca 0.36 0.70 -0.23 0.00 0.04 0.00 0.00 61.00 61.86 2w46 s PRO 94 Cb 0.15 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.79 2w46 s PRO 94 CO -0.09 -2.29 1.01 -2.37 0.04 0.00 0.00 177.00 173.30 2w46 n THR 95 N -3.90 2.60 0.83 1.26 5.66 -1.26 -4.70 114.28 114.78 2w46 n THR 95 Ca 0.07 -0.50 0.09 0.00 -3.05 0.00 0.00 64.05 60.66 2w46 n THR 95 Cb 0.56 -1.18 0.01 0.00 -1.55 0.00 0.00 70.33 68.17 2w46 n THR 95 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2w46 n THR 96 N -0.65 0.00 0.00 1.09 -2.24 0.29 -4.94 114.28 107.83 2w46 n THR 96 Ca 0.10 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2w46 n THR 96 Cb 0.40 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 2w46 n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2w46 n GLY 97 N 1.24 2.46 3.51 3.38 0.00 -1.21 -4.82 105.19 109.76 2w46 n GLY 97 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 2w46 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w46 s ALA 98 N -2.35 -1.80 -0.68 4.61 0.00 -1.26 -4.93 121.76 115.35 2w46 s ALA 98 Ca 0.00 1.15 0.20 0.00 0.00 0.00 0.00 51.96 53.31 2w46 s ALA 98 Cb 0.00 0.09 0.84 0.00 0.00 0.00 0.00 23.12 24.05 2w46 s ALA 98 CO 0.00 -0.53 1.61 0.91 0.00 0.00 0.00 175.76 177.75 2w46 n TRP 99 N 0.26 0.50 1.15 0.00 7.02 -1.26 -2.24 117.44 122.86 2w46 n TRP 99 Ca -0.13 0.20 0.12 0.00 -1.02 0.00 0.00 57.50 56.67 2w46 n TRP 99 Cb 0.60 -0.82 0.22 0.00 -2.42 0.00 0.00 31.31 28.89 2w46 n TRP 99 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2w46 n THR 100 N -1.95 0.00 -3.87 -0.99 -2.24 -1.26 -4.73 114.28 99.23 2w46 n THR 100 Ca 0.03 -0.22 -0.36 0.00 -2.27 0.00 0.00 64.05 61.23 2w46 n THR 100 Cb 0.20 0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 2w46 n THR 100 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2w46 s THR 101 N -2.41 4.65 -0.04 4.28 2.01 -0.95 -4.69 115.64 118.49 2w46 s THR 101 Ca 0.23 -0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.21 2w46 s THR 101 Cb 0.19 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 2w46 s THR 101 CO 0.51 0.39 -0.16 0.26 -0.69 0.00 0.00 174.62 174.92 2w46 s TRP 102 N 1.03 2.63 0.22 4.92 0.52 -1.26 -4.22 118.94 122.78 2w46 s TRP 102 Ca 0.04 -0.21 0.03 0.00 0.02 0.00 0.00 56.10 55.99 2w46 s TRP 102 Cb -0.14 -1.59 -0.01 0.00 -1.15 0.00 0.00 33.47 30.58 2w46 s TRP 102 CO 0.03 0.16 0.11 1.04 0.02 0.00 0.00 176.95 178.31 2w46 n GLN 103 N 2.25 0.55 -4.24 4.98 1.13 0.39 -4.93 117.38 117.52 2w46 n GLN 103 Ca -0.17 -1.98 -0.19 0.00 -1.94 0.00 0.00 57.00 52.72 2w46 n GLN 103 Cb 0.52 1.27 -0.11 0.00 0.11 0.00 0.00 30.24 32.02 2w46 n GLN 103 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2w46 s THR 104 N -2.56 1.37 0.04 5.09 -4.23 -1.26 -1.04 115.64 113.05 2w46 s THR 104 Ca 0.16 -1.62 0.09 0.00 -1.18 0.00 0.00 61.69 59.13 2w46 s THR 104 Cb 0.01 -1.46 -0.03 0.00 1.34 0.00 0.00 72.50 72.36 2w46 s THR 104 CO 0.11 -0.32 -0.24 0.00 -0.54 0.00 0.00 174.62 173.63 2w46 s ALA 105 N -1.82 2.33 0.03 3.99 0.00 0.08 -4.95 121.76 121.42 2w46 s ALA 105 Ca 0.07 -1.24 0.09 0.00 0.00 0.00 0.00 51.96 50.88 2w46 s ALA 105 Cb -0.07 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 2w46 s ALA 105 CO 0.03 0.54 -0.26 -0.08 0.00 0.00 0.00 175.76 175.99 2w46 s THR 106 N -0.81 2.12 -0.21 0.00 -1.32 -1.26 -0.51 115.64 113.65 2w46 s THR 106 Ca 0.12 -1.34 -0.11 0.00 -1.21 0.00 0.00 61.69 59.16 2w46 s THR 106 Cb -0.10 -1.80 0.07 0.00 -1.51 0.00 0.00 72.50 69.16 2w46 s THR 106 CO 0.02 0.41 0.49 -0.51 -2.21 0.00 0.00 174.62 172.82 2w46 s ILE 107 N -0.77 -0.18 -0.00 5.08 1.10 -0.53 -4.95 121.20 120.96 2w46 s ILE 107 Ca 0.11 0.08 -0.18 0.00 -0.51 0.00 0.00 60.65 60.15 2w46 s ILE 107 Cb -0.10 -0.74 -0.06 0.00 0.15 0.00 0.00 42.46 41.72 2w46 s ILE 107 CO 0.01 0.03 0.51 -1.81 -2.11 0.00 0.00 174.94 171.58 2w46 s ASP 108 N 1.74 6.90 0.07 4.50 1.11 -1.26 -0.73 116.67 129.01 2w46 s ASP 108 Ca -0.08 1.07 0.01 0.00 0.18 0.00 0.00 52.55 53.72 2w46 s ASP 108 Cb -0.08 -2.32 -0.04 0.00 1.07 0.00 0.00 42.92 41.55 2w46 s ASP 108 CO -0.15 0.19 -0.05 0.68 1.18 0.00 0.00 175.17 177.02 2w46 s VAL 109 N -0.54 0.49 -0.18 -1.27 -7.23 -0.47 -4.97 120.40 106.23 2w46 s VAL 109 Ca 0.27 -1.81 -0.15 0.00 -1.81 0.00 0.00 61.98 58.49 2w46 s VAL 109 Cb -0.18 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.21 2w46 s VAL 109 CO 0.15 -0.88 0.34 -1.81 -0.31 0.00 0.00 175.10 172.59 2w46 s ASP 110 N -2.86 6.42 0.13 4.85 1.01 -1.26 -0.15 116.67 124.81 2w46 s ASP 110 Ca 0.08 0.49 0.04 0.00 0.71 0.00 0.00 52.55 53.87 2w46 s ASP 110 Cb 0.05 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 2w46 s ASP 110 CO -0.06 0.01 0.14 -0.76 0.21 0.00 0.00 175.17 174.71 2w46 s LEU 111 N 0.89 3.90 0.02 1.23 1.43 -0.26 -4.96 118.68 120.93 2w46 s LEU 111 Ca 0.17 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.23 2w46 s LEU 111 Cb -0.14 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 2w46 s LEU 111 CO 0.06 0.10 0.13 -0.69 0.23 0.00 0.00 176.35 176.19 2w46 s VAL 112 N -1.63 5.04 0.09 -1.59 1.01 -1.26 -1.49 120.40 120.57 2w46 s VAL 112 Ca 0.31 -0.38 -0.35 0.00 0.00 0.00 0.00 61.98 61.56 2w46 s VAL 112 Cb -0.11 -3.36 -0.18 0.00 0.00 0.00 0.00 36.38 32.73 2w46 s VAL 112 CO 0.24 0.28 0.97 1.67 0.00 0.00 0.00 175.10 178.25 2w46 n GLN 113 N 0.86 0.33 0.00 2.72 7.27 -1.26 -4.51 117.38 122.79 2w46 n GLN 113 Ca -0.10 0.12 0.00 0.00 0.07 0.00 0.00 57.00 57.08 2w46 n GLN 113 Cb 0.52 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.67 2w46 n GLN 113 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2w46 n GLY 114 N 1.80 -0.10 3.75 1.69 0.00 0.46 -4.90 105.19 107.89 2w46 n GLY 114 Ca 0.18 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 2w46 n GLY 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2w46 s ASN 115 N -4.00 7.51 -0.07 1.61 3.84 -1.26 -0.83 114.94 121.74 2w46 s ASN 115 Ca 0.00 1.79 0.03 0.00 0.21 0.00 0.00 52.86 54.89 2w46 s ASN 115 Cb 0.00 -2.57 0.01 0.00 -0.55 0.00 0.00 41.25 38.14 2w46 s ASN 115 CO 0.00 0.07 -0.14 0.20 -2.79 0.00 0.00 177.10 174.45 2w46 s ASN 116 N -0.63 1.91 -0.19 -4.21 0.01 0.99 -4.92 114.94 107.90 2w46 s ASN 116 Ca 0.42 -0.32 -0.14 0.00 -0.71 0.00 0.00 52.86 52.10 2w46 s ASN 116 Cb -0.24 -0.86 -0.04 0.00 0.41 0.00 0.00 41.25 40.51 2w46 s ASN 116 CO 0.29 0.05 0.32 -0.63 -1.51 0.00 0.00 177.10 175.62 2w46 s ILE 117 N 0.60 5.27 -0.25 0.60 -1.09 -1.26 -0.82 121.20 124.24 2w46 s ILE 117 Ca -0.14 0.56 -0.02 0.00 -2.23 0.00 0.00 60.65 58.81 2w46 s ILE 117 Cb -0.16 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.09 2w46 s ILE 117 CO 0.04 0.32 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.34 2w46 s VAL 118 N 0.94 3.01 -0.16 2.92 1.01 0.31 -0.07 120.40 128.36 2w46 s VAL 118 Ca 0.16 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 2w46 s VAL 118 Cb -0.14 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 2w46 s VAL 118 CO 0.06 0.20 -0.06 -1.10 0.00 0.00 0.00 175.10 174.20 2w46 s GLN 119 N 1.35 3.59 -0.29 2.72 -0.21 -0.20 -0.99 119.66 125.63 2w46 s GLN 119 Ca 0.01 -0.56 -0.08 0.00 0.02 0.00 0.00 55.36 54.74 2w46 s GLN 119 Cb -0.17 -2.87 -0.00 0.00 1.00 0.00 0.00 33.01 30.97 2w46 s GLN 119 CO -0.04 0.19 0.11 -1.17 -2.12 0.00 0.00 175.29 172.26 2w46 s LEU 120 N 0.47 3.89 0.10 2.90 2.96 -0.04 -0.61 118.68 128.35 2w46 s LEU 120 Ca -0.05 -0.54 0.09 0.00 -0.22 0.00 0.00 54.13 53.41 2w46 s LEU 120 Cb -0.15 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 2w46 s LEU 120 CO 0.03 -0.17 -0.23 -0.94 -1.32 0.00 0.00 176.35 173.73 2w46 s SER 121 N 1.57 2.78 0.21 3.68 1.04 0.58 -1.02 113.70 122.54 2w46 s SER 121 Ca 0.04 -0.68 -0.30 0.00 0.48 0.00 0.00 55.95 55.49 2w46 s SER 121 Cb -0.17 -0.18 -0.10 0.00 0.10 0.00 0.00 66.02 65.68 2w46 s SER 121 CO 0.04 0.12 1.46 0.00 0.98 0.00 0.00 173.24 175.83 2w46 s ALA 122 N -1.07 3.65 -0.72 5.32 0.00 -0.01 -0.28 121.76 128.65 2w46 s ALA 122 Ca 0.09 1.30 0.24 0.00 0.00 0.00 0.00 51.96 53.60 2w46 s ALA 122 Cb -0.10 -3.57 0.39 0.00 0.00 0.00 0.00 23.12 19.84 2w46 s ALA 122 CO 0.04 -0.73 1.34 0.25 0.00 0.00 0.00 175.76 176.67 2w46 n THR 123 N 2.89 0.26 -4.51 0.00 -2.24 -0.91 -0.16 114.28 109.61 2w46 n THR 123 Ca 0.09 -0.21 -0.25 0.00 -2.27 0.00 0.00 64.05 61.42 2w46 n THR 123 Cb 0.40 -0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.49 2w46 n THR 123 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2w46 s THR 124 N -3.13 2.01 -1.09 4.28 -4.23 -1.26 -4.90 115.64 107.32 2w46 s THR 124 Ca 0.07 -2.16 0.18 0.00 -1.18 0.00 0.00 61.69 58.60 2w46 s THR 124 Cb 0.14 -2.63 0.18 0.00 1.34 0.00 0.00 72.50 71.54 2w46 s THR 124 CO 0.72 -0.20 1.55 0.00 -0.54 0.00 0.00 174.62 176.15 2w46 n ALA 125 N -0.74 1.83 0.98 3.99 0.00 -1.26 -1.59 120.51 123.72 2w46 n ALA 125 Ca -0.05 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2w46 n ALA 125 Cb 0.64 -1.28 0.57 0.00 0.00 0.00 0.00 19.45 19.37 2w46 n ALA 125 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2w46 n GLU 126 N -1.46 0.14 0.00 0.00 1.02 -1.26 -2.47 120.64 116.61 2w46 n GLU 126 Ca 0.05 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2w46 n GLU 126 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 2w46 n GLU 126 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2w46 n GLY 127 N 0.97 -1.29 3.93 0.62 0.00 -0.62 -4.55 105.19 104.25 2w46 n GLY 127 Ca 0.08 -1.26 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 2w46 n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2w46 s LEU 128 N 0.00 3.37 1.20 0.99 1.43 -1.26 -4.67 118.68 119.74 2w46 s LEU 128 Ca 0.00 0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 53.44 2w46 s LEU 128 Cb 0.00 -3.37 0.28 0.00 0.03 0.00 0.00 46.19 43.13 2w46 s LEU 128 CO 0.00 -0.95 1.10 -2.16 0.23 0.00 0.00 176.35 174.57 2w46 s PRO 129 N -4.83 -1.18 0.18 1.29 0.04 -1.26 -4.69 135.00 124.55 2w46 s PRO 129 Ca 0.52 -0.00 -0.30 0.00 0.04 0.00 0.00 61.00 61.26 2w46 s PRO 129 Cb -0.10 -1.59 -0.08 0.00 0.04 0.00 0.00 34.50 32.76 2w46 s PRO 129 CO 0.42 -3.70 1.18 -0.80 0.04 0.00 0.00 177.00 174.15 2w46 s ASN 130 N -3.80 7.12 -0.34 6.66 0.01 0.12 -4.68 114.94 120.02 2w46 s ASN 130 Ca 0.70 2.20 -0.06 0.00 -0.71 0.00 0.00 52.86 54.99 2w46 s ASN 130 Cb -0.11 -2.60 0.04 0.00 0.41 0.00 0.00 41.25 38.99 2w46 s ASN 130 CO 0.56 -0.35 0.10 -0.63 -1.51 0.00 0.00 177.10 175.27 2w46 s ILE 131 N -0.03 3.76 -0.06 0.60 -1.09 -0.02 -1.57 121.20 122.79 2w46 s ILE 131 Ca 0.53 -1.12 -0.25 0.00 -2.23 0.00 0.00 60.65 57.57 2w46 s ILE 131 Cb -0.32 -3.12 -0.25 0.00 -1.58 0.00 0.00 42.46 37.19 2w46 s ILE 131 CO 0.36 -0.17 0.97 -0.78 -1.23 0.00 0.00 174.94 174.10 2w46 h ASP 132 N 8.21 0.21 -4.91 3.58 3.58 -0.77 0.13 116.42 126.44 2w46 h ASP 132 Ca -0.23 -0.83 0.03 0.00 0.42 0.00 0.00 57.03 56.42 2w46 h ASP 132 Cb 1.08 -0.07 -0.12 0.00 1.72 0.00 0.00 39.33 41.95 2w46 h ASP 132 CO 0.60 1.01 0.31 -0.94 -2.88 0.00 0.00 179.24 177.34 2w46 s SER 133 N -6.36 -0.47 -0.14 2.28 1.04 -1.19 -4.52 113.70 104.34 2w46 s SER 133 Ca -0.16 -0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.21 2w46 s SER 133 Cb 0.00 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.68 2w46 s SER 133 CO 0.74 -0.90 -0.17 -0.22 0.98 0.00 0.00 173.24 173.67 2w46 s LEU 134 N -2.70 1.86 -0.09 2.42 2.96 -0.55 -1.96 118.68 120.62 2w46 s LEU 134 Ca 0.04 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.41 2w46 s LEU 134 Cb -0.01 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 2w46 s LEU 134 CO -0.09 0.01 -0.01 -0.55 -1.32 0.00 0.00 176.35 174.38 2w46 s SER 135 N 1.15 5.15 -0.09 3.68 0.15 0.11 0.43 113.70 124.28 2w46 s SER 135 Ca -0.01 0.11 -0.00 0.00 0.70 0.00 0.00 55.95 56.74 2w46 s SER 135 Cb -0.14 -1.48 0.02 0.00 -1.71 0.00 0.00 66.02 62.72 2w46 s SER 135 CO -0.06 0.36 -0.05 -0.69 1.20 0.00 0.00 173.24 174.00 2w46 s VAL 136 N -0.74 0.75 -0.05 4.45 1.01 -0.17 -0.65 120.40 124.99 2w46 s VAL 136 Ca 0.12 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.00 2w46 s VAL 136 Cb -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2w46 s VAL 136 CO 0.02 0.31 -0.14 -0.69 0.00 0.00 0.00 175.10 174.60 2w46 s VAL 137 N 1.67 1.25 0.00 2.92 1.01 -0.45 -2.14 120.40 124.65 2w46 s VAL 137 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2w46 s VAL 137 Cb -0.13 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2w46 s VAL 137 CO -0.06 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2w46 n GLY 138 N 3.41 3.71 7.00 4.51 0.00 -1.26 0.02 105.19 122.58 2w46 n GLY 138 Ca -0.20 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2w46 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w46 n GLY 139 N 0.00 2.54 3.28 -0.02 0.00 -1.26 -4.40 105.19 105.33 2w46 n GLY 139 Ca 0.00 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 2w46 n GLY 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w46 s THR 140 N 0.00 2.95 0.09 2.61 2.01 -1.26 -5.07 115.64 116.96 2w46 s THR 140 Ca 0.00 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.38 2w46 s THR 140 Cb 0.00 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2w46 s THR 140 CO 0.00 0.48 -0.10 0.68 -0.69 0.00 0.00 174.62 174.99 2w46 s VAL 141 N 1.08 0.88 0.23 3.82 -7.23 -1.26 -1.64 120.40 116.28 2w46 s VAL 141 Ca 0.00 -1.54 -0.09 0.00 -1.81 0.00 0.00 61.98 58.54 2w46 s VAL 141 Cb -0.15 -1.23 -0.02 0.00 0.56 0.00 0.00 36.38 35.54 2w46 s VAL 141 CO -0.03 -0.52 0.36 0.00 -0.31 0.00 0.00 175.10 174.61 2w46 s ARG 142 N -2.56 1.42 0.21 4.82 1.70 -0.39 -4.86 118.95 119.29 2w46 s ARG 142 Ca 0.03 -1.36 -0.32 0.00 -0.47 0.00 0.00 55.73 53.61 2w46 s ARG 142 Cb -0.04 0.41 -0.14 0.00 -0.57 0.00 0.00 34.95 34.61 2w46 s ARG 142 CO 0.00 -0.55 1.44 0.00 -1.08 0.00 0.00 175.30 175.10 2w46 n ALA 143 N -0.34 1.01 -1.85 7.88 0.00 -1.26 -0.08 120.51 125.87 2w46 n ALA 143 Ca -0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2w46 n ALA 143 Cb 0.63 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2w46 n ALA 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w46 n GLY 144 N 2.49 1.22 3.45 0.00 0.00 0.12 -4.26 105.19 108.21 2w46 n GLY 144 Ca 0.13 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 2w46 n GLY 144 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2w46 s ASN 145 N -1.00 4.76 0.55 1.61 0.01 -1.26 -4.21 114.94 115.41 2w46 s ASN 145 Ca 0.00 -0.20 -0.18 0.00 -0.71 0.00 0.00 52.86 51.78 2w46 s ASN 145 Cb 0.00 -1.80 -0.05 0.00 0.41 0.00 0.00 41.25 39.81 2w46 s ASN 145 CO 0.00 0.09 1.07 0.00 -1.51 0.00 0.00 177.10 176.75