#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqv n THR 2 N 0.00-12.48 -1.95 0.00 -1.04 -1.26 -5.18 114.28 92.37 2pqv n THR 2 Ca 0.00 2.94 -0.39 0.00 -2.04 0.00 0.00 64.05 64.57 2pqv n THR 2 Cb 0.00 -5.72 0.01 0.00 -1.82 0.00 0.00 70.33 62.81 2pqv n THR 2 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2pqv s GLN 3 N -0.77 3.62 0.11 -2.82 2.00 -1.26 -4.93 119.66 115.61 2pqv s GLN 3 Ca 0.00 2.17 -0.31 0.00 -2.00 0.00 0.00 55.36 55.22 2pqv s GLN 3 Cb 0.00 -2.53 -0.08 0.00 0.80 0.00 0.00 33.01 31.20 2pqv s GLN 3 CO 0.00 -0.78 1.49 -1.14 -0.50 0.00 0.00 175.29 174.35 2pqv s GLN 4 N -2.56 4.26 0.42 1.67 2.00 -1.26 -4.95 119.66 119.24 2pqv s GLN 4 Ca 0.63 2.19 -0.20 0.00 -2.00 0.00 0.00 55.36 55.98 2pqv s GLN 4 Cb -0.38 -3.31 -0.11 0.00 0.80 0.00 0.00 33.01 30.01 2pqv s GLN 4 CO 0.48 -0.55 0.93 -0.51 -0.50 0.00 0.00 175.29 175.14 2pqv s ASP 5 N 1.41 6.92 -1.43 6.67 1.01 -1.26 -0.55 116.67 129.43 2pqv s ASP 5 Ca 0.68 1.65 -0.14 0.00 0.71 0.00 0.00 52.55 55.45 2pqv s ASP 5 Cb -0.39 -2.52 0.06 0.00 1.01 0.00 0.00 42.92 41.07 2pqv s ASP 5 CO 0.30 -0.35 2.15 0.33 0.21 0.00 0.00 175.17 177.82 2pqv n PHE 6 N -0.63 3.55 -3.63 4.23 -0.00 0.55 -4.57 117.46 116.95 2pqv n PHE 6 Ca 0.07 -2.95 -0.11 0.00 -0.00 0.00 0.00 57.45 54.45 2pqv n PHE 6 Cb 0.54 -2.49 -0.07 0.00 -0.00 0.00 0.00 39.48 37.46 2pqv n PHE 6 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 2pqv s ARG 7 N 2.94 0.78 -0.00 -4.13 3.52 -1.26 -1.53 118.95 119.26 2pqv s ARG 7 Ca 0.47 1.07 0.02 0.00 -0.13 0.00 0.00 55.73 57.15 2pqv s ARG 7 Cb 0.13 0.30 -0.00 0.00 -1.56 0.00 0.00 34.95 33.81 2pqv s ARG 7 CO -0.07 -0.12 -0.05 0.99 -0.81 0.00 0.00 175.30 175.24 2pqv s THR 8 N 0.85 0.43 -0.16 4.11 2.01 -0.12 -4.99 115.64 117.77 2pqv s THR 8 Ca -0.04 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.70 2pqv s THR 8 Cb -0.05 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.09 2pqv s THR 8 CO -0.07 0.10 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.06 2pqv s LYS 9 N -0.19 3.20 -0.14 4.92 2.20 -1.26 -1.27 119.74 127.21 2pqv s LYS 9 Ca 0.02 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 2pqv s LYS 9 Cb -0.02 -2.64 0.02 0.00 -1.51 0.00 0.00 37.83 33.68 2pqv s LYS 9 CO -0.00 -0.02 -0.13 0.08 -0.36 0.00 0.00 175.35 174.92 2pqv s VAL 10 N 0.89 1.44 0.00 4.02 1.01 0.30 -4.99 120.40 123.07 2pqv s VAL 10 Ca -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2pqv s VAL 10 Cb -0.15 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.86 2pqv s VAL 10 CO -0.01 0.44 0.00 0.47 0.00 0.00 0.00 175.10 175.99 2pqv n ASP 11 N 4.73 0.00 -1.86 3.32 8.00 -1.26 -0.52 116.55 128.95 2pqv n ASP 11 Ca -0.16 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.13 2pqv n ASP 11 Cb 0.50 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.71 2pqv n ASP 11 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pqv n ASN 12 N 5.74 4.87 -4.08 -2.24 3.02 -1.26 -4.94 115.26 116.37 2pqv n ASN 12 Ca 0.00 -3.77 -0.22 0.00 -0.03 0.00 0.00 54.58 50.56 2pqv n ASN 12 Cb 0.00 -0.66 -0.15 0.00 -0.61 0.00 0.00 39.78 38.36 2pqv n ASN 12 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2pqv s THR 13 N -4.15 1.05 -0.01 3.41 -4.23 0.32 -1.42 115.64 110.62 2pqv s THR 13 Ca 0.54 -0.54 0.07 0.00 -1.18 0.00 0.00 61.69 60.57 2pqv s THR 13 Cb 0.44 -0.90 -0.02 0.00 1.34 0.00 0.00 72.50 73.37 2pqv s THR 13 CO 0.02 0.31 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.50 2pqv s VAL 14 N -0.13 1.71 -0.18 2.29 1.01 0.88 -0.54 120.40 125.44 2pqv s VAL 14 Ca 0.02 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 2pqv s VAL 14 Cb -0.07 -1.43 0.05 0.00 0.00 0.00 0.00 36.38 34.93 2pqv s VAL 14 CO 0.00 0.44 0.46 0.72 0.00 0.00 0.00 175.10 176.72 2pqv s PHE 15 N -0.56 -0.55 0.00 5.22 -0.12 -0.40 -1.29 117.98 120.30 2pqv s PHE 15 Ca 0.08 1.28 0.00 0.00 -0.05 0.00 0.00 56.93 58.25 2pqv s PHE 15 Cb -0.08 0.21 0.00 0.00 -0.63 0.00 0.00 43.02 42.51 2pqv s PHE 15 CO -0.00 -0.27 0.00 0.41 -0.05 0.00 0.00 175.22 175.30 2pqv n GLY 16 N 3.12 0.82 3.19 1.99 0.00 -0.73 -0.94 105.19 112.64 2pqv n GLY 16 Ca -0.15 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 2pqv n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pqv s VAL 17 N -2.25 1.60 0.11 1.61 1.01 -0.58 -1.38 120.40 120.51 2pqv s VAL 17 Ca 0.00 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.21 2pqv s VAL 17 Cb 0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 2pqv s VAL 17 CO 0.00 0.45 -0.15 -0.13 0.00 0.00 0.00 175.10 175.28 2pqv s ARG 18 N -0.18 0.97 -0.04 2.72 0.52 0.28 -1.48 118.95 121.75 2pqv s ARG 18 Ca 0.00 -1.15 0.06 0.00 -0.52 0.00 0.00 55.73 54.12 2pqv s ARG 18 Cb -0.11 -0.93 -0.02 0.00 0.52 0.00 0.00 34.95 34.42 2pqv s ARG 18 CO 0.01 0.19 -0.20 0.00 0.02 0.00 0.00 175.30 175.32 2pqv s ALA 19 N -1.80 2.39 -0.04 2.13 0.00 -0.28 -0.84 121.76 123.33 2pqv s ALA 19 Ca 0.06 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.02 2pqv s ALA 19 Cb -0.07 -0.77 -0.00 0.00 0.00 0.00 0.00 23.12 22.28 2pqv s ALA 19 CO 0.03 0.52 -0.16 0.99 0.00 0.00 0.00 175.76 177.13 2pqv s THR 20 N -0.58 1.36 -0.36 0.00 2.01 0.12 -1.62 115.64 116.57 2pqv s THR 20 Ca 0.08 -0.69 -0.15 0.00 0.31 0.00 0.00 61.69 61.25 2pqv s THR 20 Cb -0.11 -1.17 -0.00 0.00 0.01 0.00 0.00 72.50 71.23 2pqv s THR 20 CO 0.00 0.39 0.33 0.00 -0.69 0.00 0.00 174.62 174.66 2pqv s ALA 21 N -0.03 3.49 -0.72 7.40 0.00 0.74 -0.84 121.76 131.79 2pqv s ALA 21 Ca -0.02 -1.38 -0.15 0.00 0.00 0.00 0.00 51.96 50.41 2pqv s ALA 21 Cb -0.10 -2.82 0.18 0.00 0.00 0.00 0.00 23.12 20.37 2pqv s ALA 21 CO 0.01 -1.18 0.67 -0.51 0.00 0.00 0.00 175.76 174.76 2pqv s LEU 22 N 1.90 6.48 -0.39 0.00 1.43 0.49 -3.98 118.68 124.62 2pqv s LEU 22 Ca 0.09 -2.31 -0.18 0.00 -1.03 0.00 0.00 54.13 50.70 2pqv s LEU 22 Cb -0.17 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 43.84 2pqv s LEU 22 CO 0.11 -0.71 0.52 -0.63 0.23 0.00 0.00 176.35 175.88 2pqv s ILE 23 N 0.82 4.99 -0.19 -0.59 1.01 -1.26 -2.76 121.20 123.22 2pqv s ILE 23 Ca 0.12 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.86 2pqv s ILE 23 Cb -0.18 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.27 2pqv s ILE 23 CO -0.04 -0.36 -0.17 -0.69 0.00 0.00 0.00 174.94 173.68 2pqv s VAL 24 N 2.42 2.34 -0.01 2.92 1.01 -1.26 -1.04 120.40 126.78 2pqv s VAL 24 Ca 0.18 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2pqv s VAL 24 Cb -0.16 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.23 2pqv s VAL 24 CO 0.15 0.52 -0.01 -1.10 0.00 0.00 0.00 175.10 174.66 2pqv s GLN 25 N 1.32 0.13 -1.51 2.72 -0.21 -0.52 -4.87 119.66 116.72 2pqv s GLN 25 Ca 0.05 -0.01 -0.13 0.00 0.02 0.00 0.00 55.36 55.29 2pqv s GLN 25 Cb -0.13 -0.19 0.08 0.00 1.00 0.00 0.00 33.01 33.77 2pqv s GLN 25 CO -0.11 -0.01 0.99 0.09 -2.12 0.00 0.00 175.29 174.12 2pqv n ASN 26 N 3.33 -4.73 -1.06 5.90 3.02 -1.26 -1.42 115.26 119.05 2pqv n ASN 26 Ca -0.16 -0.77 -0.14 0.00 -0.03 0.00 0.00 54.58 53.48 2pqv n ASN 26 Cb 0.57 -3.97 -0.06 0.00 -0.61 0.00 0.00 39.78 35.71 2pqv n ASN 26 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2pqv n HIS 27 N -4.69 0.00 -4.65 3.10 -0.00 -1.26 -4.99 115.22 102.73 2pqv n HIS 27 Ca 0.02 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.96 2pqv n HIS 27 Cb 0.54 -2.47 -0.14 0.00 -0.12 0.00 0.00 29.99 27.79 2pqv n HIS 27 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2pqv s LYS 28 N -3.16 1.30 -0.11 1.57 1.02 -0.50 -0.96 119.74 118.89 2pqv s LYS 28 Ca 0.00 -0.78 -0.14 0.00 0.02 0.00 0.00 55.97 55.07 2pqv s LYS 28 Cb 0.00 -1.33 -0.05 0.00 -0.52 0.00 0.00 37.83 35.93 2pqv s LYS 28 CO 0.00 0.35 0.33 -1.17 -0.92 0.00 0.00 175.35 173.94 2pqv s LEU 29 N -0.89 4.32 -0.23 3.17 2.96 0.63 -1.44 118.68 127.21 2pqv s LEU 29 Ca 0.06 0.66 -0.29 0.00 -0.22 0.00 0.00 54.13 54.34 2pqv s LEU 29 Cb -0.08 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.18 2pqv s LEU 29 CO 0.01 0.17 1.07 -0.22 -1.32 0.00 0.00 176.35 176.06 2pqv s LEU 30 N -0.05 4.10 0.20 -0.68 2.96 -0.21 -1.28 118.68 123.74 2pqv s LEU 30 Ca 0.20 1.41 0.02 0.00 -0.22 0.00 0.00 54.13 55.53 2pqv s LEU 30 Cb -0.14 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 2pqv s LEU 30 CO 0.07 -0.69 0.01 0.68 -1.32 0.00 0.00 176.35 175.10 2pqv s VAL 31 N 3.25 0.79 -0.00 1.68 -7.23 0.24 -4.66 120.40 114.47 2pqv s VAL 31 Ca 0.45 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.69 2pqv s VAL 31 Cb -0.16 -2.26 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 2pqv s VAL 31 CO 0.07 -0.37 -0.22 0.28 -0.31 0.00 0.00 175.10 174.55 2pqv s THR 32 N -3.58 1.75 -0.20 5.32 -1.32 -0.28 -0.66 115.64 116.67 2pqv s THR 32 Ca 0.27 -1.02 -0.07 0.00 -1.21 0.00 0.00 61.69 59.66 2pqv s THR 32 Cb 0.06 -1.47 -0.04 0.00 -1.51 0.00 0.00 72.50 69.54 2pqv s THR 32 CO 0.07 0.43 0.07 -0.75 -2.21 0.00 0.00 174.62 172.23 2pqv s LYS 33 N -0.69 3.88 -0.09 7.08 2.20 -1.24 -0.75 119.74 130.13 2pqv s LYS 33 Ca 0.09 -0.38 -0.04 0.00 -0.36 0.00 0.00 55.97 55.27 2pqv s LYS 33 Cb -0.09 -3.26 0.05 0.00 -1.51 0.00 0.00 37.83 33.02 2pqv s LYS 33 CO -0.00 0.13 0.19 0.34 -0.36 0.00 0.00 175.35 175.65 2pqv s ASP 34 N 0.78 0.14 -1.43 1.43 2.15 0.22 -4.49 116.67 115.45 2pqv s ASP 34 Ca 0.04 0.41 -0.09 0.00 0.43 0.00 0.00 52.55 53.34 2pqv s ASP 34 Cb -0.13 0.34 0.05 0.00 -0.30 0.00 0.00 42.92 42.88 2pqv s ASP 34 CO 0.02 -0.19 0.96 0.29 -0.17 0.00 0.00 175.17 176.08 2pqv n LYS 35 N 4.67 -5.94 -0.49 4.34 5.02 -1.26 -1.87 118.16 122.63 2pqv n LYS 35 Ca -0.18 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 2pqv n LYS 35 Cb 0.51 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 30.00 2pqv n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pqv n GLY 36 N -1.70 1.50 3.46 0.72 0.00 -1.26 -5.01 105.19 102.90 2pqv n GLY 36 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 2pqv n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pqv s LYS 37 N -0.19 1.66 -0.10 1.61 1.02 -0.78 -4.71 119.74 118.24 2pqv s LYS 37 Ca 0.00 -1.55 -0.02 0.00 0.02 0.00 0.00 55.97 54.42 2pqv s LYS 37 Cb 0.00 -1.88 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 2pqv s LYS 37 CO 0.00 0.38 -0.01 0.71 -0.92 0.00 0.00 175.35 175.51 2pqv s TYR 38 N -1.92 3.11 0.16 3.18 2.02 0.82 -0.61 117.35 124.10 2pqv s TYR 38 Ca 0.24 0.09 0.04 0.00 -0.37 0.00 0.00 57.07 57.07 2pqv s TYR 38 Cb -0.07 -1.81 -0.05 0.00 -0.40 0.00 0.00 41.96 39.63 2pqv s TYR 38 CO 0.12 0.36 -0.07 0.71 -1.57 0.00 0.00 175.55 175.10 2pqv s TYR 39 N -0.64 1.26 0.31 2.71 2.02 0.07 -0.60 117.35 122.47 2pqv s TYR 39 Ca 0.10 -0.84 0.07 0.00 -0.37 0.00 0.00 57.07 56.03 2pqv s TYR 39 Cb -0.12 -0.67 -0.03 0.00 -0.40 0.00 0.00 41.96 40.74 2pqv s TYR 39 CO 0.02 -0.01 0.32 0.95 -1.57 0.00 0.00 175.55 175.27 2pqv s THR 40 N -3.42 4.06 0.20 -0.71 -4.23 -1.26 -1.12 115.64 109.15 2pqv s THR 40 Ca 0.19 -1.25 -0.30 0.00 -1.18 0.00 0.00 61.69 59.15 2pqv s THR 40 Cb 0.04 -3.36 -0.08 0.00 1.34 0.00 0.00 72.50 70.43 2pqv s THR 40 CO 0.02 -0.23 1.23 -0.63 -0.54 0.00 0.00 174.62 174.47 2pqv s ILE 41 N -2.20 3.44 0.00 2.99 1.01 -1.26 -4.93 121.20 120.25 2pqv s ILE 41 Ca 0.39 1.22 0.00 0.00 0.00 0.00 0.00 60.65 62.26 2pqv s ILE 41 Cb -0.07 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.62 2pqv s ILE 41 CO 0.28 0.20 0.00 0.61 0.00 0.00 0.00 174.94 176.02 2pqv n GLY 42 N 2.17 0.00 0.00 6.18 0.00 -1.26 -0.19 105.19 112.09 2pqv n GLY 42 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2pqv n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pqv n GLY 43 N -0.02 -0.27 3.77 -0.02 0.00 -0.64 -5.01 105.19 103.01 2pqv n GLY 43 Ca 0.00 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 2pqv n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pqv s ALA 44 N -2.00 3.59 0.74 4.61 0.00 -1.26 -1.12 121.76 126.31 2pqv s ALA 44 Ca 0.00 1.46 -0.11 0.00 0.00 0.00 0.00 51.96 53.31 2pqv s ALA 44 Cb 0.00 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.58 2pqv s ALA 44 CO 0.00 -0.89 1.07 0.96 0.00 0.00 0.00 175.76 176.90 2pqv s ILE 45 N -0.79 3.67 0.32 0.00 -4.36 -0.55 -4.80 121.20 114.69 2pqv s ILE 45 Ca 0.54 0.54 -0.08 0.00 -0.26 0.00 0.00 60.65 61.39 2pqv s ILE 45 Cb -0.44 -3.26 -0.06 0.00 1.25 0.00 0.00 42.46 39.95 2pqv s ILE 45 CO 0.55 -0.71 0.64 -1.10 0.24 0.00 0.00 174.94 174.57 2pqv s GLN 46 N -5.06 3.74 0.31 0.37 -0.21 -1.26 -0.33 119.66 117.22 2pqv s GLN 46 Ca 0.59 0.27 -0.30 0.00 0.02 0.00 0.00 55.36 55.94 2pqv s GLN 46 Cb -0.14 -2.54 -0.11 0.00 1.00 0.00 0.00 33.01 31.21 2pqv s GLN 46 CO 0.55 0.14 1.59 0.08 -2.12 0.00 0.00 175.29 175.53 2pqv s VAL 47 N -2.13 2.01 -0.49 1.09 1.01 0.28 -1.89 120.40 120.28 2pqv s VAL 47 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2pqv s VAL 47 Cb -0.11 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.27 2pqv s VAL 47 CO 0.28 0.00 0.00 0.59 0.00 0.00 0.00 175.10 175.97 2pqv n ASN 48 N 1.82 -4.34 -4.60 3.32 5.03 -1.26 -4.87 115.26 110.36 2pqv n ASN 48 Ca 0.07 0.11 -0.34 0.00 0.87 0.00 0.00 54.58 55.29 2pqv n ASN 48 Cb 0.37 -2.24 -0.11 0.00 -1.02 0.00 0.00 39.78 36.78 2pqv n ASN 48 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2pqv s GLU 49 N -1.83 3.17 0.62 3.52 2.12 -0.79 -5.10 118.70 120.41 2pqv s GLU 49 Ca 0.00 -0.47 -0.17 0.00 0.36 0.00 0.00 54.97 54.68 2pqv s GLU 49 Cb 0.00 -2.79 -0.02 0.00 0.26 0.00 0.00 34.13 31.58 2pqv s GLU 49 CO 0.00 0.54 1.17 -1.54 -0.54 0.00 0.00 175.26 174.89 2pqv s SER 50 N -0.44 5.09 0.37 -1.70 1.04 -1.26 -4.73 113.70 112.07 2pqv s SER 50 Ca 0.07 2.27 0.12 0.00 0.48 0.00 0.00 55.95 58.89 2pqv s SER 50 Cb -0.12 -2.58 0.72 0.00 0.10 0.00 0.00 66.02 64.13 2pqv s SER 50 CO 0.02 -1.65 1.84 0.71 0.98 0.00 0.00 173.24 175.14 2pqv h THR 51 N 0.57 1.25 -0.10 2.02 1.35 -1.98 -0.61 112.91 115.40 2pqv h THR 51 Ca -0.49 -1.20 0.02 0.00 -0.55 0.00 0.00 66.41 64.19 2pqv h THR 51 Cb 1.28 1.61 -0.02 0.00 -1.73 0.00 0.00 68.15 69.29 2pqv h THR 51 CO 0.54 0.35 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.82 2pqv h GLU 52 N 0.05 0.02 -0.34 4.72 3.07 -1.98 -0.81 114.58 119.31 2pqv h GLU 52 Ca 0.00 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 2pqv h GLU 52 Cb 0.62 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.50 2pqv h GLU 52 CO 0.05 0.02 -0.05 -0.44 -1.40 0.00 0.00 179.01 177.18 2pqv h ASP 53 N 0.02 0.53 -0.21 1.42 3.32 -1.85 -2.53 116.42 117.12 2pqv h ASP 53 Ca 0.05 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 2pqv h ASP 53 Cb 0.06 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2pqv h ASP 53 CO -0.08 0.64 0.07 0.00 -1.72 0.00 0.00 179.24 178.15 2pqv h ALA 54 N 1.42 0.28 -0.44 3.45 0.00 -0.81 -0.31 119.26 122.85 2pqv h ALA 54 Ca 0.10 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2pqv h ALA 54 Cb 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2pqv h ALA 54 CO 0.02 -0.11 -0.14 -0.24 0.00 0.00 0.00 179.25 178.78 2pqv h VAL 55 N 0.18 1.26 -0.43 0.00 3.04 -0.97 0.89 116.25 120.22 2pqv h VAL 55 Ca 0.07 -1.23 -0.03 0.00 -1.01 0.00 0.00 66.70 64.50 2pqv h VAL 55 Cb 0.21 1.08 -0.02 0.00 -2.01 0.00 0.00 31.29 30.55 2pqv h VAL 55 CO -0.00 0.42 0.17 0.58 -1.01 0.00 0.00 177.57 177.72 2pqv h VAL 56 N 0.73 1.20 -0.51 1.51 2.07 -1.35 -1.27 116.25 118.63 2pqv h VAL 56 Ca 0.12 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2pqv h VAL 56 Cb 0.64 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2pqv h VAL 56 CO 0.05 0.23 0.33 -0.09 0.02 0.00 0.00 177.57 178.11 2pqv h ARG 57 N 0.56 0.69 -0.55 1.57 2.43 -0.51 -0.87 114.38 117.69 2pqv h ARG 57 Ca 0.14 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2pqv h ARG 57 Cb 0.20 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 2pqv h ARG 57 CO -0.01 0.47 0.35 0.93 -1.51 0.00 0.00 179.97 180.21 2pqv h GLU 58 N 0.69 0.70 -0.76 0.20 4.39 -0.65 0.51 114.58 119.66 2pqv h GLU 58 Ca 0.19 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 2pqv h GLU 58 Cb -0.05 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.41 2pqv h GLU 58 CO -0.04 0.46 0.29 0.28 -1.16 0.00 0.00 179.01 178.84 2pqv h VAL 59 N 0.72 1.26 -0.53 3.13 2.07 -0.98 -0.66 116.25 121.26 2pqv h VAL 59 Ca 0.21 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.90 2pqv h VAL 59 Cb -0.05 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 2pqv h VAL 59 CO -0.06 0.34 0.34 0.50 0.02 0.00 0.00 177.57 178.71 2pqv h LYS 60 N 1.11 0.67 -0.05 1.57 3.64 -0.54 0.11 116.57 123.08 2pqv h LYS 60 Ca 0.25 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2pqv h LYS 60 Cb 0.24 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2pqv h LYS 60 CO -0.02 0.44 0.01 0.93 -2.27 0.00 0.00 179.45 178.55 2pqv h GLU 61 N 0.69 0.07 0.10 1.90 5.08 -0.55 -0.77 114.58 121.10 2pqv h GLU 61 Ca 0.20 -0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 58.22 2pqv h GLU 61 Cb -0.06 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2pqv h GLU 61 CO -0.05 0.29 -1.65 0.93 -1.00 0.00 0.00 179.01 177.53 2pqv h GLU 62 N -0.15 0.21 0.00 2.33 5.08 -1.07 -3.39 114.58 117.58 2pqv h GLU 62 Ca 0.01 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2pqv h GLU 62 Cb 0.25 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2pqv h GLU 62 CO 0.00 1.03 -1.34 1.28 -1.00 0.00 0.00 179.01 178.98 2pqv n LEU 63 N -3.39 0.10 -0.72 1.33 4.77 0.34 -2.35 117.00 117.07 2pqv n LEU 63 Ca -0.19 -0.09 -0.08 0.00 -0.03 0.00 0.00 56.01 55.61 2pqv n LEU 63 Cb 1.04 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.11 2pqv n LEU 63 CO 0.48 0.02 -0.09 0.61 -1.33 0.00 0.00 177.39 177.09 2pqv n GLY 64 N 1.74 0.67 3.27 -0.72 0.00 -0.29 -4.63 105.19 105.22 2pqv n GLY 64 Ca -0.01 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 2pqv n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pqv s VAL 65 N -2.33 1.46 0.44 1.61 -7.23 -1.26 -5.01 120.40 108.08 2pqv s VAL 65 Ca 0.00 -1.79 -0.22 0.00 -1.81 0.00 0.00 61.98 58.15 2pqv s VAL 65 Cb 0.00 -1.64 -0.08 0.00 0.56 0.00 0.00 36.38 35.22 2pqv s VAL 65 CO 0.00 -0.41 1.07 -0.54 -0.31 0.00 0.00 175.10 174.91 2pqv s LYS 66 N -2.77 3.95 0.19 4.82 1.02 -1.26 -3.82 119.74 121.87 2pqv s LYS 66 Ca 0.11 1.51 -0.18 0.00 0.02 0.00 0.00 55.97 57.43 2pqv s LYS 66 Cb -0.05 -2.36 0.03 0.00 -0.52 0.00 0.00 37.83 34.94 2pqv s LYS 66 CO 0.04 -0.33 0.54 0.00 -0.92 0.00 0.00 175.35 174.68 2pqv s ALA 67 N -1.74 -1.04 0.11 5.17 0.00 -1.26 -0.65 121.76 122.34 2pqv s ALA 67 Ca 0.62 -0.12 0.09 0.00 0.00 0.00 0.00 51.96 52.56 2pqv s ALA 67 Cb -0.21 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 2pqv s ALA 67 CO 0.26 -0.80 -0.24 -0.65 0.00 0.00 0.00 175.76 174.33 2pqv s GLN 68 N -3.85 1.26 0.31 0.00 -0.21 0.16 -4.91 119.66 112.41 2pqv s GLN 68 Ca 0.08 -1.24 0.01 0.00 0.02 0.00 0.00 55.36 54.22 2pqv s GLN 68 Cb -0.01 -1.62 0.51 0.00 1.00 0.00 0.00 33.01 32.88 2pqv s GLN 68 CO -0.04 0.38 1.90 0.00 -2.12 0.00 0.00 175.29 175.41 2pqv h ALA 69 N 4.00 1.36 -0.45 6.09 0.00 -1.86 -0.54 119.26 127.86 2pqv h ALA 69 Ca -0.48 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2pqv h ALA 69 Cb 1.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2pqv h ALA 69 CO 0.39 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.54 2pqv n GLY 70 N -1.09 -0.29 3.73 0.00 0.00 -1.26 -3.20 105.19 103.08 2pqv n GLY 70 Ca 0.05 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 2pqv n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pqv s GLN 71 N 0.00 4.60 -0.25 1.61 -0.21 -1.24 -4.74 119.66 119.43 2pqv s GLN 71 Ca 0.00 1.64 -0.29 0.00 0.02 0.00 0.00 55.36 56.73 2pqv s GLN 71 Cb 0.00 -3.32 -0.00 0.00 1.00 0.00 0.00 33.01 30.69 2pqv s GLN 71 CO 0.00 0.07 1.28 -1.17 -2.12 0.00 0.00 175.29 173.35 2pqv s LEU 72 N -0.07 3.98 -0.16 2.90 2.96 -1.26 -0.27 118.68 126.76 2pqv s LEU 72 Ca 0.50 1.37 -0.14 0.00 -0.22 0.00 0.00 54.13 55.64 2pqv s LEU 72 Cb -0.28 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.65 2pqv s LEU 72 CO 0.33 -0.97 0.30 0.00 -1.32 0.00 0.00 176.35 174.69 2pqv n ALA 73 N 7.27 0.83 -2.90 5.97 0.00 0.19 -4.36 120.51 127.51 2pqv n ALA 73 Ca 0.14 -0.53 -0.11 0.00 0.00 0.00 0.00 53.44 52.94 2pqv n ALA 73 Cb 0.46 -0.63 -0.13 0.00 0.00 0.00 0.00 19.45 19.15 2pqv n ALA 73 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2pqv s PHE 74 N -2.46 0.10 -0.21 0.00 0.08 -1.12 -1.32 117.98 113.05 2pqv s PHE 74 Ca -0.25 -0.18 -0.01 0.00 0.12 0.00 0.00 56.93 56.61 2pqv s PHE 74 Cb 0.06 -0.07 0.01 0.00 -0.57 0.00 0.00 43.02 42.45 2pqv s PHE 74 CO 0.68 -0.06 -0.12 0.08 -0.10 0.00 0.00 175.22 175.70 2pqv s VAL 75 N -0.48 2.65 -0.10 -0.44 1.01 -0.47 -1.14 120.40 121.43 2pqv s VAL 75 Ca -0.05 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.12 2pqv s VAL 75 Cb -0.03 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 2pqv s VAL 75 CO -0.00 0.42 -0.14 -0.69 0.00 0.00 0.00 175.10 174.68 2pqv s VAL 76 N 1.35 2.97 -0.40 2.92 1.01 0.37 -0.82 120.40 127.81 2pqv s VAL 76 Ca 0.04 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 2pqv s VAL 76 Cb -0.14 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.04 2pqv s VAL 76 CO -0.08 0.55 0.27 -1.61 0.00 0.00 0.00 175.10 174.23 2pqv s GLU 77 N 0.02 2.97 -0.19 2.72 2.02 0.09 -0.38 118.70 125.95 2pqv s GLU 77 Ca -0.05 -1.01 -0.01 0.00 0.02 0.00 0.00 54.97 53.92 2pqv s GLU 77 Cb -0.14 -3.91 -0.00 0.00 0.10 0.00 0.00 34.13 30.17 2pqv s GLU 77 CO 0.04 -0.72 -0.12 1.21 0.02 0.00 0.00 175.26 175.70 2pqv s ASN 78 N 1.65 3.84 -0.06 -0.19 3.84 0.10 -0.97 114.94 123.15 2pqv s ASN 78 Ca 0.04 -0.47 0.02 0.00 0.21 0.00 0.00 52.86 52.67 2pqv s ASN 78 Cb -0.19 -1.62 0.02 0.00 -0.55 0.00 0.00 41.25 38.90 2pqv s ASN 78 CO 0.09 0.03 -0.11 -0.13 -2.79 0.00 0.00 177.10 174.20 2pqv s ARG 79 N 1.16 1.51 0.21 0.43 0.52 -0.35 -1.01 118.95 121.43 2pqv s ARG 79 Ca 0.01 -0.35 -0.23 0.00 -0.52 0.00 0.00 55.73 54.65 2pqv s ARG 79 Cb -0.14 -1.29 0.04 0.00 0.52 0.00 0.00 34.95 34.08 2pqv s ARG 79 CO -0.04 0.00 0.75 -0.59 0.02 0.00 0.00 175.30 175.44 2pqv s PHE 80 N 0.73 -0.26 -0.02 -0.53 -0.71 -0.63 -2.28 117.98 114.27 2pqv s PHE 80 Ca -0.14 -0.09 0.07 0.00 -1.04 0.00 0.00 56.93 55.73 2pqv s PHE 80 Cb -0.15 0.65 -0.02 0.00 -1.21 0.00 0.00 43.02 42.29 2pqv s PHE 80 CO 0.03 -1.04 -0.23 -2.00 -1.34 0.00 0.00 175.22 170.64 2pqv s GLU 81 N -3.72 1.93 -0.03 1.99 2.12 -1.26 -0.04 118.70 119.69 2pqv s GLU 81 Ca 0.09 -0.83 -0.01 0.00 0.36 0.00 0.00 54.97 54.58 2pqv s GLU 81 Cb -0.04 -1.84 0.03 0.00 0.26 0.00 0.00 34.13 32.54 2pqv s GLU 81 CO 0.01 0.49 0.03 0.08 -0.54 0.00 0.00 175.26 175.32 2pqv s VAL 82 N -0.50 0.04 -1.53 3.70 1.01 -0.17 -4.92 120.40 118.03 2pqv s VAL 82 Ca 0.08 0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.20 2pqv s VAL 82 Cb -0.09 -0.21 0.07 0.00 0.00 0.00 0.00 36.38 36.15 2pqv s VAL 82 CO -0.01 0.15 0.71 -0.67 0.00 0.00 0.00 175.10 175.28 2pqv n ASP 83 N 4.62 -2.48 0.00 3.32 2.03 -1.26 -1.58 116.55 121.21 2pqv n ASP 83 Ca -0.18 -0.93 0.00 0.00 0.52 0.00 0.00 54.79 54.20 2pqv n ASP 83 Cb 0.50 -3.26 0.00 0.00 -0.72 0.00 0.00 41.12 37.64 2pqv n ASP 83 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pqv n GLY 84 N -1.68 0.86 3.42 0.27 0.00 -1.26 -5.02 105.19 101.78 2pqv n GLY 84 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 2pqv n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pqv s VAL 85 N -3.38 3.34 0.12 1.61 1.01 -0.62 -4.83 120.40 117.64 2pqv s VAL 85 Ca 0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 2pqv s VAL 85 Cb 0.00 -2.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.89 2pqv s VAL 85 CO 0.00 0.52 0.60 -0.94 0.00 0.00 0.00 175.10 175.28 2pqv s SER 86 N 0.28 7.02 -0.08 3.32 1.04 -0.51 -1.00 113.70 123.77 2pqv s SER 86 Ca -0.07 1.27 0.04 0.00 0.48 0.00 0.00 55.95 57.66 2pqv s SER 86 Cb -0.15 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2pqv s SER 86 CO 0.05 0.19 -0.22 -0.31 0.98 0.00 0.00 173.24 173.93 2pqv s TYR 87 N -1.27 2.29 -0.25 5.02 2.02 0.94 -0.09 117.35 126.02 2pqv s TYR 87 Ca 0.34 -0.88 -0.03 0.00 -0.37 0.00 0.00 57.07 56.13 2pqv s TYR 87 Cb -0.18 -1.55 0.08 0.00 -0.40 0.00 0.00 41.96 39.92 2pqv s TYR 87 CO 0.20 -0.35 0.09 -1.58 -1.57 0.00 0.00 175.55 172.34 2pqv s HIS 88 N 0.31 0.83 0.08 2.71 5.65 -0.41 -1.60 115.29 122.86 2pqv s HIS 88 Ca -0.15 -0.98 0.10 0.00 0.25 0.00 0.00 55.06 54.27 2pqv s HIS 88 Cb -0.17 -1.09 -0.03 0.00 -1.18 0.00 0.00 32.58 30.11 2pqv s HIS 88 CO 0.07 -0.73 -0.26 -0.80 -0.65 0.00 0.00 174.74 172.37 2pqv s ASN 89 N 1.92 3.19 -0.23 9.88 0.02 -0.18 -1.76 114.94 127.78 2pqv s ASN 89 Ca 0.05 -0.65 -0.13 0.00 -1.02 0.00 0.00 52.86 51.11 2pqv s ASN 89 Cb -0.17 -0.26 -0.04 0.00 0.02 0.00 0.00 41.25 40.80 2pqv s ASN 89 CO -0.21 0.23 0.28 -0.63 0.02 0.00 0.00 177.10 176.78 2pqv s ILE 90 N -0.90 5.27 -0.06 0.60 -1.09 -0.48 -0.72 121.20 123.82 2pqv s ILE 90 Ca 0.12 0.43 0.06 0.00 -2.23 0.00 0.00 60.65 59.03 2pqv s ILE 90 Cb -0.10 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.16 2pqv s ILE 90 CO 0.03 0.28 -0.24 -1.61 -1.23 0.00 0.00 174.94 172.17 2pqv s GLU 91 N 1.36 2.62 -0.29 2.79 2.02 0.49 -0.55 118.70 127.12 2pqv s GLU 91 Ca 0.13 -0.89 -0.06 0.00 0.02 0.00 0.00 54.97 54.17 2pqv s GLU 91 Cb -0.14 -2.19 0.02 0.00 0.10 0.00 0.00 34.13 31.91 2pqv s GLU 91 CO 0.07 0.37 0.05 -0.06 0.02 0.00 0.00 175.26 175.71 2pqv s PHE 92 N -0.12 3.15 -0.32 1.61 0.08 -0.02 -0.48 117.98 121.88 2pqv s PHE 92 Ca -0.05 -1.18 -0.11 0.00 0.12 0.00 0.00 56.93 55.71 2pqv s PHE 92 Cb -0.14 -2.21 -0.01 0.00 -0.57 0.00 0.00 43.02 40.08 2pqv s PHE 92 CO 0.04 -0.63 0.19 -1.01 -0.10 0.00 0.00 175.22 173.71 2pqv s HIS 93 N 1.44 3.20 -0.10 0.36 3.76 -0.29 -0.71 115.29 122.96 2pqv s HIS 93 Ca 0.01 -0.38 -0.02 0.00 -0.15 0.00 0.00 55.06 54.53 2pqv s HIS 93 Cb -0.17 -2.40 -0.03 0.00 1.11 0.00 0.00 32.58 31.08 2pqv s HIS 93 CO 0.01 -0.40 -0.01 0.71 -0.85 0.00 0.00 174.74 174.20 2pqv s TYR 94 N 1.67 3.11 -1.26 1.40 2.02 -0.02 -0.63 117.35 123.63 2pqv s TYR 94 Ca 0.05 0.10 -0.17 0.00 -0.37 0.00 0.00 57.07 56.68 2pqv s TYR 94 Cb -0.17 -1.81 0.10 0.00 -0.40 0.00 0.00 41.96 39.68 2pqv s TYR 94 CO 0.08 0.37 1.64 -0.51 -1.57 0.00 0.00 175.55 175.56 2pqv s LEU 95 N -0.66 4.15 0.41 -1.29 1.43 0.63 -0.38 118.68 122.98 2pqv s LEU 95 Ca 0.10 -2.54 -0.26 0.00 -1.03 0.00 0.00 54.13 50.41 2pqv s LEU 95 Cb -0.12 -2.53 -0.08 0.00 0.03 0.00 0.00 46.19 43.49 2pqv s LEU 95 CO 0.02 -1.08 1.27 -0.69 0.23 0.00 0.00 176.35 176.11 2pqv s VAL 96 N 3.56 2.73 -0.35 -1.59 1.01 -1.11 -3.65 120.40 120.99 2pqv s VAL 96 Ca 0.50 0.64 -0.11 0.00 0.00 0.00 0.00 61.98 63.01 2pqv s VAL 96 Cb 0.02 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 33.04 2pqv s VAL 96 CO 0.05 0.08 0.20 -1.81 0.00 0.00 0.00 175.10 173.62 2pqv s ASP 97 N -0.84 5.77 0.30 3.32 1.01 -0.21 -4.47 116.67 121.55 2pqv s ASP 97 Ca 0.57 -0.71 -0.29 0.00 0.71 0.00 0.00 52.55 52.84 2pqv s ASP 97 Cb -0.36 -2.05 -0.09 0.00 1.01 0.00 0.00 42.92 41.42 2pqv s ASP 97 CO 0.46 -0.30 1.09 -0.76 0.21 0.00 0.00 175.17 175.88 2pqv s LEU 98 N 1.62 4.49 0.00 1.23 1.43 -1.26 -0.67 118.68 125.53 2pqv s LEU 98 Ca 0.04 2.24 0.17 0.00 -1.03 0.00 0.00 54.13 55.55 2pqv s LEU 98 Cb -0.18 -3.71 0.19 0.00 0.03 0.00 0.00 46.19 42.52 2pqv s LEU 98 CO 0.08 -0.20 1.10 0.18 0.23 0.00 0.00 176.35 177.73 2pqv n LEU 99 N 1.00 2.58 -4.12 1.79 4.77 0.18 -4.93 117.00 118.27 2pqv n LEU 99 Ca -0.00 -1.18 -0.09 0.00 -0.03 0.00 0.00 56.01 54.71 2pqv n LEU 99 Cb 0.45 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 2pqv n LEU 99 CO 0.53 0.50 -0.28 -1.61 -1.33 0.00 0.00 177.39 175.20 2pqv s GLU 100 N -1.33 0.90 0.32 3.23 2.02 -1.25 -4.95 118.70 117.64 2pqv s GLU 100 Ca 0.22 -1.38 -0.29 0.00 0.02 0.00 0.00 54.97 53.54 2pqv s GLU 100 Cb 0.15 0.25 -0.12 0.00 0.10 0.00 0.00 34.13 34.51 2pqv s GLU 100 CO 0.22 -0.25 1.50 -0.25 0.02 0.00 0.00 175.26 176.49 2pqv n ASP 101 N -0.07 3.53 -4.76 -0.19 8.00 -1.26 -4.95 116.55 116.86 2pqv n ASP 101 Ca -0.07 1.18 -0.41 0.00 0.71 0.00 0.00 54.79 56.20 2pqv n ASP 101 Cb 0.63 -1.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.14 2pqv n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pqv s ALA 102 N -0.49 3.50 0.81 2.24 0.00 -1.26 -4.96 121.76 121.60 2pqv s ALA 102 Ca 0.60 1.16 -0.12 0.00 0.00 0.00 0.00 51.96 53.61 2pqv s ALA 102 Cb -0.52 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.21 2pqv s ALA 102 CO 0.55 -0.54 1.11 -1.25 0.00 0.00 0.00 175.76 175.63 2pqv s PRO 103 N -1.18 2.02 0.44 0.00 0.04 -1.26 -4.97 135.00 130.10 2pqv s PRO 103 Ca 0.51 0.51 0.28 0.00 0.04 0.00 0.00 61.00 62.33 2pqv s PRO 103 Cb -0.38 -1.92 0.87 0.00 0.04 0.00 0.00 34.50 33.12 2pqv s PRO 103 CO 0.46 -1.63 1.79 -0.07 0.04 0.00 0.00 177.00 177.59 2pqv h LEU 104 N -1.09 0.00 0.00 -3.56 -0.00 -1.95 -3.46 115.31 105.25 2pqv h LEU 104 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 2pqv h LEU 104 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.94 2pqv h LEU 104 CO 0.61 0.00 0.00 0.35 -0.00 0.00 0.00 178.44 179.40 2pqv n THR 105 N -2.93 0.00 -3.48 0.22 -2.24 -1.26 -1.88 114.28 102.71 2pqv n THR 105 Ca 0.03 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.66 2pqv n THR 105 Cb 0.40 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 2pqv n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pqv s GLN 107 N -0.87 1.12 -0.09 -0.78 -2.07 -0.99 -4.85 119.66 111.14 2pqv s GLN 107 Ca 0.00 -0.07 -0.04 0.00 -1.82 0.00 0.00 55.36 53.44 2pqv s GLN 107 Cb 0.00 0.52 0.05 0.00 -1.09 0.00 0.00 33.01 32.49 2pqv s GLN 107 CO 0.00 -0.42 0.18 -1.21 -1.32 0.00 0.00 175.29 172.52 2pqv s GLU 108 N -2.32 0.09 -1.47 9.60 8.01 -0.50 -4.38 118.70 127.73 2pqv s GLU 108 Ca -0.05 0.53 -0.04 0.00 0.01 0.00 0.00 54.97 55.42 2pqv s GLU 108 Cb -0.00 -0.19 0.02 0.00 -4.31 0.00 0.00 34.13 29.65 2pqv s GLU 108 CO -0.01 -0.24 0.41 -0.25 0.01 0.00 0.00 175.26 175.19 2pqv n ASP 109 N 4.86 -5.29 0.00 -0.19 8.00 -1.26 -1.89 116.55 120.78 2pqv n ASP 109 Ca -0.14 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.15 2pqv n ASP 109 Cb 0.51 -4.34 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 2pqv n ASP 109 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2pqv n GLU 110 N -3.66 -0.18 -3.51 -1.24 -0.58 -1.26 -5.00 120.64 105.21 2pqv n GLU 110 Ca -0.12 0.04 -0.38 0.00 -0.42 0.00 0.00 57.16 56.29 2pqv n GLU 110 Cb 0.61 -3.19 -0.09 0.00 -0.57 0.00 0.00 31.44 28.21 2pqv n GLU 110 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2pqv s LYS 111 N -0.35 4.09 0.04 3.49 1.02 -0.79 -5.07 119.74 122.17 2pqv s LYS 111 Ca 0.00 -0.05 -0.18 0.00 0.02 0.00 0.00 55.97 55.76 2pqv s LYS 111 Cb 0.00 -3.56 -0.06 0.00 -0.52 0.00 0.00 37.83 33.68 2pqv s LYS 111 CO 0.00 -0.04 0.52 0.50 -0.92 0.00 0.00 175.35 175.41 2pqv s ARG 112 N 1.35 4.14 0.05 1.68 3.52 -1.26 -1.40 118.95 127.02 2pqv s ARG 112 Ca 0.13 0.63 0.03 0.00 -0.13 0.00 0.00 55.73 56.39 2pqv s ARG 112 Cb -0.14 -3.25 -0.02 0.00 -1.56 0.00 0.00 34.95 29.97 2pqv s ARG 112 CO 0.07 0.61 -0.10 -0.65 -0.81 0.00 0.00 175.30 174.42 2pqv s GLN 113 N -0.94 0.62 0.46 5.12 -0.21 -1.26 -5.00 119.66 118.44 2pqv s GLN 113 Ca 0.28 -0.76 -0.22 0.00 0.02 0.00 0.00 55.36 54.68 2pqv s GLN 113 Cb -0.18 -0.47 -0.08 0.00 1.00 0.00 0.00 33.01 33.27 2pqv s GLN 113 CO 0.17 0.10 1.06 -1.25 -2.12 0.00 0.00 175.29 173.25 2pqv s PRO 114 N -1.48 3.89 -0.12 2.91 0.05 -1.26 -4.71 135.00 134.28 2pqv s PRO 114 Ca -0.06 1.49 -0.21 0.00 0.05 0.00 0.00 61.00 62.26 2pqv s PRO 114 Cb -0.09 -2.28 -0.03 0.00 0.05 0.00 0.00 34.50 32.14 2pqv s PRO 114 CO 0.01 -0.38 0.62 0.00 0.05 0.00 0.00 177.00 177.30 2pqv s GLU 116 N 1.10 0.91 -0.24 0.00 2.02 0.17 -4.91 118.70 117.75 2pqv s GLU 116 Ca 0.32 -0.87 -0.04 0.00 0.02 0.00 0.00 54.97 54.40 2pqv s GLU 116 Cb -0.16 -0.94 0.01 0.00 0.10 0.00 0.00 34.13 33.13 2pqv s GLU 116 CO 0.13 0.22 -0.03 -1.58 0.02 0.00 0.00 175.26 174.02 2pqv s TRP 117 N -1.04 3.01 -0.11 1.61 0.52 -1.26 -0.60 118.94 121.08 2pqv s TRP 117 Ca 0.01 -1.14 0.02 0.00 0.02 0.00 0.00 56.10 55.00 2pqv s TRP 117 Cb -0.09 -2.11 -0.01 0.00 -1.15 0.00 0.00 33.47 30.11 2pqv s TRP 117 CO 0.02 -0.61 -0.16 0.42 0.02 0.00 0.00 176.95 176.63 2pqv s ILE 118 N 1.43 2.79 0.43 2.03 -1.09 -0.40 -4.85 121.20 121.54 2pqv s ILE 118 Ca 0.04 -0.77 -0.26 0.00 -2.23 0.00 0.00 60.65 57.43 2pqv s ILE 118 Cb -0.15 -2.14 -0.09 0.00 -1.58 0.00 0.00 42.46 38.50 2pqv s ILE 118 CO -0.03 0.54 1.42 -0.62 -1.23 0.00 0.00 174.94 175.02 2pqv s ASP 119 N 0.18 6.02 0.34 3.58 2.15 -1.26 -0.27 116.67 127.41 2pqv s ASP 119 Ca -0.09 2.90 0.06 0.00 0.43 0.00 0.00 52.55 55.84 2pqv s ASP 119 Cb -0.16 -2.65 0.71 0.00 -0.30 0.00 0.00 42.92 40.52 2pqv s ASP 119 CO 0.06 -1.08 1.91 -0.07 -0.17 0.00 0.00 175.17 175.82 2pqv h LEU 120 N 2.49 0.73 -0.64 -1.34 3.38 -1.41 -0.07 115.31 118.46 2pqv h LEU 120 Ca -0.51 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2pqv h LEU 120 Cb 1.26 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2pqv h LEU 120 CO 0.62 0.43 0.00 0.47 0.09 0.00 0.00 178.44 180.05 2pqv n ASP 121 N -4.52 0.98 -0.28 -0.43 8.00 -1.26 -3.25 116.55 115.79 2pqv n ASP 121 Ca 0.14 -1.40 0.06 0.00 0.71 0.00 0.00 54.79 54.30 2pqv n ASP 121 Cb 0.32 -0.02 -0.00 0.00 -0.02 0.00 0.00 41.12 41.40 2pqv n ASP 121 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2pqv n LYS 122 N -0.21 1.92 0.09 -1.24 4.76 -0.07 -4.52 118.16 118.89 2pqv n LYS 122 Ca 0.19 -0.68 0.13 0.00 -2.87 0.00 0.00 58.31 55.09 2pqv n LYS 122 Cb 0.25 -1.17 0.63 0.00 -1.84 0.00 0.00 35.03 32.91 2pqv n LYS 122 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2pqv h LEU 123 N 1.39 0.07 -2.20 -0.35 3.38 -1.44 -0.13 115.31 116.03 2pqv h LEU 123 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pqv h LEU 123 Cb 0.43 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2pqv h LEU 123 CO 0.00 0.05 0.00 0.06 0.09 0.00 0.00 178.44 178.64 2pqv h GLN 124 N 0.08 0.00 -0.52 1.13 3.07 -1.79 -2.54 115.11 114.54 2pqv h GLN 124 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.89 2pqv h GLN 124 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.06 2pqv h GLN 124 CO -0.01 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.00 2pqv n ASN 125 N -2.73 3.40 -4.40 0.06 5.03 -0.06 -4.98 115.26 111.58 2pqv n ASN 125 Ca -0.02 -1.99 -0.21 0.00 0.87 0.00 0.00 54.58 53.23 2pqv n ASN 125 Cb 0.08 -0.35 -0.10 0.00 -1.02 0.00 0.00 39.78 38.39 2pqv n ASN 125 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2pqv s ILE 126 N -1.01 1.86 -1.40 2.41 -4.36 -0.96 -5.06 121.20 112.69 2pqv s ILE 126 Ca 0.35 -2.22 -0.11 0.00 -0.26 0.00 0.00 60.65 58.41 2pqv s ILE 126 Cb 0.18 -2.24 0.08 0.00 1.25 0.00 0.00 42.46 41.73 2pqv s ILE 126 CO 0.24 -0.45 2.19 0.00 0.24 0.00 0.00 174.94 177.16 2pqv n GLN 127 N -0.50 3.38 -2.96 0.37 6.02 -1.26 -4.96 117.38 117.46 2pqv n GLN 127 Ca -0.07 -2.97 -0.40 0.00 -0.01 0.00 0.00 57.00 53.56 2pqv n GLN 127 Cb 0.61 -3.05 -0.05 0.00 1.02 0.00 0.00 30.24 28.78 2pqv n GLN 127 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2pqv s LEU 128 N 0.75 4.48 -0.09 1.08 2.96 -1.26 -0.13 118.68 126.47 2pqv s LEU 128 Ca 0.47 1.51 0.04 0.00 -0.22 0.00 0.00 54.13 55.93 2pqv s LEU 128 Cb 0.13 -3.27 0.00 0.00 0.50 0.00 0.00 46.19 43.55 2pqv s LEU 128 CO -0.05 0.04 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.13 2pqv s VAL 129 N -0.24 1.78 0.30 1.68 1.01 0.23 -3.27 120.40 121.89 2pqv s VAL 129 Ca 0.39 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 2pqv s VAL 129 Cb -0.21 -1.55 -0.10 0.00 0.00 0.00 0.00 36.38 34.52 2pqv s VAL 129 CO 0.24 0.50 1.13 -2.16 0.00 0.00 0.00 175.10 174.81 2pqv s PRO 130 N 0.39 4.53 0.49 2.72 0.04 -1.26 -4.12 135.00 137.79 2pqv s PRO 130 Ca -0.16 1.84 0.15 0.00 0.04 0.00 0.00 61.00 62.87 2pqv s PRO 130 Cb -0.17 -3.10 1.15 0.00 0.04 0.00 0.00 34.50 32.43 2pqv s PRO 130 CO 0.07 0.10 2.09 -0.24 0.04 0.00 0.00 177.00 179.06 2pqv h VAL 131 N 2.98 1.05 -0.01 -0.36 3.04 -1.97 -2.95 116.25 118.02 2pqv h VAL 131 Ca -0.47 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 2pqv h VAL 131 Cb 1.22 1.05 -0.00 0.00 -2.01 0.00 0.00 31.29 31.55 2pqv h VAL 131 CO 0.66 0.06 0.01 2.19 -1.01 0.00 0.00 177.57 179.48 2pqv h PHE 132 N 0.05 0.00 0.00 3.17 -0.00 -1.98 -1.57 116.94 116.60 2pqv h PHE 132 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.95 2pqv h PHE 132 Cb 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.04 2pqv h PHE 132 CO 0.00 0.00 -0.14 -0.07 -0.00 0.00 0.00 178.31 178.10 2pqv h LEU 133 N 0.00 0.00 -1.75 2.10 3.38 -1.89 -1.26 115.31 115.89 2pqv h LEU 133 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2pqv h LEU 133 Cb 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2pqv h LEU 133 CO -0.00 0.14 0.39 0.11 0.09 0.00 0.00 178.44 179.17 2pqv h LYS 134 N 0.00 0.26 0.00 1.13 1.57 -1.51 -1.78 116.57 116.24 2pqv h LYS 134 Ca -0.00 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 2pqv h LYS 134 Cb 0.33 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2pqv h LYS 134 CO 0.02 0.17 -1.50 0.25 -0.57 0.00 0.00 179.45 177.82 2pqv n THR 135 N -4.45 0.50 -0.08 -0.16 -2.24 -1.17 -3.99 114.28 102.70 2pqv n THR 135 Ca 0.10 -0.22 -0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2pqv n THR 135 Cb 0.45 -0.82 0.27 0.00 -2.10 0.00 0.00 70.33 68.14 2pqv n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pqv h ALA 136 N 0.09 1.39 0.19 6.98 0.00 -1.14 -0.90 119.26 125.87 2pqv h ALA 136 Ca -0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2pqv h ALA 136 Cb 1.34 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2pqv h ALA 136 CO -0.02 0.45 -0.09 1.25 0.00 0.00 0.00 179.25 180.85 2pqv h LEU 137 N 0.70 -0.21 -1.92 0.00 5.85 -1.56 -1.43 115.31 116.73 2pqv h LEU 137 Ca 0.16 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 2pqv h LEU 137 Cb 0.18 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2pqv h LEU 137 CO -0.01 0.31 -0.11 1.55 -0.34 0.00 0.00 178.44 179.84 2pqv h PRO 138 N -0.84 0.00 -0.00 5.25 0.13 -1.74 -2.05 132.00 132.75 2pqv h PRO 138 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2pqv h PRO 138 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2pqv h PRO 138 CO 0.04 0.11 -0.07 -0.25 -0.23 0.00 0.00 178.00 177.60 2pqv n ASP 139 N -4.08 0.43 -4.77 1.44 8.00 -0.35 -4.93 116.55 112.29 2pqv n ASP 139 Ca -0.02 -0.67 -0.41 0.00 0.71 0.00 0.00 54.79 54.39 2pqv n ASP 139 Cb 0.19 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 2pqv n ASP 139 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2pqv s TRP 140 N -2.37 2.63 -0.17 1.24 -0.00 -0.54 -4.92 118.94 114.81 2pqv s TRP 140 Ca 0.32 1.00 0.15 0.00 -0.00 0.00 0.00 56.10 57.57 2pqv s TRP 140 Cb 0.20 -4.06 0.29 0.00 -0.00 0.00 0.00 33.47 29.91 2pqv s TRP 140 CO 0.45 -3.28 1.19 0.39 -0.00 0.00 0.00 176.95 175.69 2pqv n GLU 141 N 1.12 2.01 -0.36 5.86 1.02 -1.26 -4.98 120.64 124.06 2pqv n GLU 141 Ca 0.04 -2.42 0.00 0.00 -0.02 0.00 0.00 57.16 54.76 2pqv n GLU 141 Cb 0.38 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2pqv n GLU 141 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pqv n GLY 142 N -0.97 0.87 3.46 0.62 0.00 -1.26 -5.04 105.19 102.86 2pqv n GLY 142 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2pqv n GLY 142 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pqv s GLN 143 N -0.54 3.43 0.11 1.61 2.00 -1.26 -5.08 119.66 119.92 2pqv s GLN 143 Ca 0.00 -0.59 -0.36 0.00 -2.00 0.00 0.00 55.36 52.41 2pqv s GLN 143 Cb 0.00 -2.75 -0.15 0.00 0.80 0.00 0.00 33.01 30.90 2pqv s GLN 143 CO 0.00 0.29 1.46 -0.11 -0.50 0.00 0.00 175.29 176.43 2pqv n LEU 144 N 3.34 2.30 -4.39 3.68 7.94 -1.26 -4.95 117.00 123.66 2pqv n LEU 144 Ca -0.18 1.10 -0.30 0.00 -1.11 0.00 0.00 56.01 55.52 2pqv n LEU 144 Cb 0.53 -1.29 -0.14 0.00 0.53 0.00 0.00 43.42 43.04 2pqv n LEU 144 CO 0.31 -0.70 -0.54 -0.13 -1.11 0.00 0.00 177.39 175.22 2pqv s ARG 145 N 0.76 1.92 -0.19 1.96 0.52 -0.44 -5.01 118.95 118.48 2pqv s ARG 145 Ca 0.82 -1.05 -0.16 0.00 -0.52 0.00 0.00 55.73 54.82 2pqv s ARG 145 Cb -0.84 -2.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 2pqv s ARG 145 CO 0.43 0.53 0.41 -1.58 0.02 0.00 0.00 175.30 175.11 2pqv s HIS 146 N -0.84 3.39 -0.03 -0.53 5.65 -1.26 -1.37 115.29 120.30 2pqv s HIS 146 Ca 0.13 0.64 0.07 0.00 0.25 0.00 0.00 55.06 56.15 2pqv s HIS 146 Cb -0.10 -2.53 -0.02 0.00 -1.18 0.00 0.00 32.58 28.75 2pqv s HIS 146 CO 0.03 0.01 -0.25 0.42 -0.65 0.00 0.00 174.74 174.30 2pqv s ILE 147 N 1.24 2.00 -0.15 0.89 -1.09 -0.00 -4.96 121.20 119.13 2pqv s ILE 147 Ca 0.20 -1.07 -0.02 0.00 -2.23 0.00 0.00 60.65 57.52 2pqv s ILE 147 Cb -0.15 -1.67 -0.02 0.00 -1.58 0.00 0.00 42.46 39.05 2pqv s ILE 147 CO 0.08 0.56 -0.08 -1.00 -1.23 0.00 0.00 174.94 173.27 2pqv s HIS 148 N -0.51 2.92 -0.12 3.97 3.76 -1.26 -0.73 115.29 123.31 2pqv s HIS 148 Ca 0.07 -0.53 0.01 0.00 -0.15 0.00 0.00 55.06 54.47 2pqv s HIS 148 Cb -0.10 -1.92 0.02 0.00 1.11 0.00 0.00 32.58 31.68 2pqv s HIS 148 CO -0.00 -0.17 -0.14 -1.17 -0.85 0.00 0.00 174.74 172.41 2pqv s LEU 149 N 0.48 1.64 0.04 0.89 2.96 -0.14 -4.96 118.68 119.60 2pqv s LEU 149 Ca -0.06 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 2pqv s LEU 149 Cb -0.15 -1.08 -0.02 0.00 0.50 0.00 0.00 46.19 45.43 2pqv s LEU 149 CO 0.04 -0.02 -0.07 -1.83 -1.32 0.00 0.00 176.35 173.14 2pqv s GLU 150 N 1.23 0.50 0.00 1.98 -1.05 -1.26 -1.21 118.70 118.89 2pqv s GLU 150 Ca -0.01 -0.75 0.07 0.00 -0.15 0.00 0.00 54.97 54.13 2pqv s GLU 150 Cb -0.14 -0.23 0.41 0.00 -0.44 0.00 0.00 34.13 33.73 2pqv s GLU 150 CO -0.05 0.03 0.87 -1.91 0.95 0.00 0.00 175.26 175.15