#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ofd s TYR 2 N 0.00 2.14 -0.04 4.78 1.51 -0.71 -4.88 117.35 120.14 2ofd s TYR 2 Ca 0.00 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.70 2ofd s TYR 2 Cb 0.00 -1.22 0.00 0.00 -0.11 0.00 0.00 41.96 40.63 2ofd s TYR 2 CO 0.00 0.21 -0.13 0.21 -1.11 0.00 0.00 175.55 174.73 2ofd s LYS 3 N -1.63 1.41 -0.20 -0.62 2.20 -0.01 -0.61 119.74 120.27 2ofd s LYS 3 Ca 0.11 -0.44 0.02 0.00 -0.36 0.00 0.00 55.97 55.29 2ofd s LYS 3 Cb -0.10 -1.24 0.03 0.00 -1.51 0.00 0.00 37.83 35.01 2ofd s LYS 3 CO 0.04 0.15 -0.17 0.42 -0.36 0.00 0.00 175.35 175.43 2ofd s ILE 4 N 0.21 2.05 -0.25 5.43 1.01 0.34 -0.58 121.20 129.42 2ofd s ILE 4 Ca -0.05 -1.12 -0.11 0.00 0.00 0.00 0.00 60.65 59.37 2ofd s ILE 4 Cb -0.11 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 2ofd s ILE 4 CO 0.02 0.37 0.17 -0.89 0.00 0.00 0.00 174.94 174.60 2ofd s THR 5 N 1.25 5.33 -0.18 2.92 2.01 -0.16 -0.52 115.64 126.29 2ofd s THR 5 Ca 0.01 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.15 2ofd s THR 5 Cb -0.15 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 2ofd s THR 5 CO -0.11 0.32 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.40 2ofd s VAL 6 N 1.24 3.49 -0.19 3.82 1.01 0.78 -0.93 120.40 129.62 2ofd s VAL 6 Ca 0.07 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 2ofd s VAL 6 Cb -0.14 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 2ofd s VAL 6 CO 0.06 0.47 0.00 -0.13 0.00 0.00 0.00 175.10 175.50 2ofd s ARG 7 N 0.84 3.68 -0.26 2.72 0.52 -0.43 -1.73 118.95 124.29 2ofd s ARG 7 Ca -0.02 -0.50 -0.11 0.00 -0.52 0.00 0.00 55.73 54.58 2ofd s ARG 7 Cb -0.15 -3.06 -0.05 0.00 0.52 0.00 0.00 34.95 32.22 2ofd s ARG 7 CO 0.01 0.10 0.21 0.08 0.02 0.00 0.00 175.30 175.72 2ofd s VAL 8 N 0.76 5.31 -0.36 3.52 1.01 -1.26 -0.14 120.40 129.24 2ofd s VAL 8 Ca 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 2ofd s VAL 8 Cb -0.14 -3.54 0.07 0.00 0.00 0.00 0.00 36.38 32.76 2ofd s VAL 8 CO 0.02 0.28 0.13 -0.31 0.00 0.00 0.00 175.10 175.22 2ofd s TYR 9 N 1.46 3.35 -0.42 5.22 1.51 0.68 -4.97 117.35 124.18 2ofd s TYR 9 Ca 0.09 -1.79 -0.19 0.00 -1.01 0.00 0.00 57.07 54.16 2ofd s TYR 9 Cb -0.15 -2.58 0.02 0.00 -0.11 0.00 0.00 41.96 39.14 2ofd s TYR 9 CO 0.08 -0.83 0.57 -0.65 -1.11 0.00 0.00 175.55 173.61 2ofd s GLN 10 N 1.31 3.28 0.00 -0.62 -0.21 -1.26 -0.74 119.66 121.41 2ofd s GLN 10 Ca 0.01 -0.45 0.21 0.00 0.02 0.00 0.00 55.36 55.15 2ofd s GLN 10 Cb -0.21 -3.94 -0.10 0.00 1.00 0.00 0.00 33.01 29.76 2ofd s GLN 10 CO 0.00 -0.92 0.99 0.25 -2.12 0.00 0.00 175.29 173.49 2ofd n THR 11 N 5.68 0.00 -3.87 -0.19 -2.24 -0.98 -4.86 114.28 107.82 2ofd n THR 11 Ca -0.04 -0.15 -0.30 0.00 -2.27 0.00 0.00 64.05 61.29 2ofd n THR 11 Cb 0.48 1.14 -0.15 0.00 -2.10 0.00 0.00 70.33 69.70 2ofd n THR 11 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2ofd s ASN 12 N -2.67 4.10 0.00 3.42 3.84 -1.26 -5.00 114.94 117.37 2ofd s ASN 12 Ca 0.14 -1.58 0.00 0.00 0.21 0.00 0.00 52.86 51.62 2ofd s ASN 12 Cb 0.17 -1.14 0.00 0.00 -0.55 0.00 0.00 41.25 39.73 2ofd s ASN 12 CO 0.69 -0.34 0.49 -2.65 -2.79 0.00 0.00 177.10 172.50 2ofd n PRO 13 N 4.65 0.53 0.00 0.43 -0.02 -1.26 -3.11 135.00 136.22 2ofd n PRO 13 Ca -0.04 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.60 2ofd n PRO 13 Cb 0.43 -1.04 0.92 0.00 -0.02 0.00 0.00 33.50 33.78 2ofd n PRO 13 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2ofd n ASN 14 N -0.39 0.00 -3.57 2.55 0.23 -1.26 -4.86 115.26 107.96 2ofd n ASN 14 Ca 0.00 -0.85 -0.10 0.00 -0.53 0.00 0.00 54.58 53.10 2ofd n ASN 14 Cb 0.02 -0.05 -0.02 0.00 -2.08 0.00 0.00 39.78 37.65 2ofd n ASN 14 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ofd s ALA 15 N -2.10 -1.40 -0.13 -2.53 0.00 -1.18 -5.06 121.76 109.37 2ofd s ALA 15 Ca 0.45 0.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.57 2ofd s ALA 15 Cb 0.22 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.25 2ofd s ALA 15 CO 0.39 -0.83 0.01 0.12 0.00 0.00 0.00 175.76 175.45 2ofd s PHE 16 N -3.81 0.86 0.07 0.00 5.36 -1.26 -4.89 117.98 114.31 2ofd s PHE 16 Ca 0.05 -0.50 -0.09 0.00 -0.96 0.00 0.00 56.93 55.42 2ofd s PHE 16 Cb -0.02 -0.92 -0.06 0.00 -0.34 0.00 0.00 43.02 41.68 2ofd s PHE 16 CO -0.07 -0.46 0.38 -0.06 -1.46 0.00 0.00 175.22 173.55 2ofd s PHE 17 N 1.91 3.58 0.04 10.12 0.40 -1.26 -3.66 117.98 129.12 2ofd s PHE 17 Ca 0.02 0.76 0.00 0.00 -0.60 0.00 0.00 56.93 57.11 2ofd s PHE 17 Cb -0.14 -2.13 -0.03 0.00 0.51 0.00 0.00 43.02 41.22 2ofd s PHE 17 CO -0.07 0.53 -0.04 -3.38 0.70 0.00 0.00 175.22 172.97 2ofd s HIS 18 N -1.38 0.49 0.10 0.36 -3.43 -0.53 -4.93 115.29 105.97 2ofd s HIS 18 Ca 0.32 -0.78 -0.31 0.00 -0.80 0.00 0.00 55.06 53.49 2ofd s HIS 18 Cb -0.14 -0.33 -0.07 0.00 -1.43 0.00 0.00 32.58 30.60 2ofd s HIS 18 CO 0.18 -0.24 1.33 -1.25 -2.00 0.00 0.00 174.74 172.76 2ofd s PRO 19 N -2.69 4.35 0.00 -0.38 0.04 -1.26 -1.56 135.00 133.50 2ofd s PRO 19 Ca -0.03 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2ofd s PRO 19 Cb -0.01 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2ofd s PRO 19 CO -0.05 -0.38 0.40 1.33 0.04 0.00 0.00 177.00 178.34 2ofd n VAL 20 N 3.92 0.00 -3.64 -0.36 0.24 0.38 -4.94 118.33 113.93 2ofd n VAL 20 Ca 0.11 -0.45 -0.09 0.00 -2.04 0.00 0.00 64.34 61.86 2ofd n VAL 20 Cb 0.43 1.09 -0.07 0.00 -1.47 0.00 0.00 33.84 33.82 2ofd n VAL 20 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2ofd s GLU 21 N -0.10 0.58 -0.09 7.34 2.12 -1.21 -4.98 118.70 122.36 2ofd s GLU 21 Ca 0.00 0.74 -0.02 0.00 0.36 0.00 0.00 54.97 56.04 2ofd s GLU 21 Cb 0.00 0.26 0.04 0.00 0.26 0.00 0.00 34.13 34.69 2ofd s GLU 21 CO 0.00 -0.08 0.05 0.15 -0.54 0.00 0.00 175.26 174.84 2ofd s LYS 22 N 0.47 0.23 0.20 4.30 1.02 -1.26 -1.47 119.74 123.23 2ofd s LYS 22 Ca 0.00 0.13 0.11 0.00 0.02 0.00 0.00 55.97 56.23 2ofd s LYS 22 Cb -0.05 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.16 2ofd s LYS 22 CO -0.06 -0.42 -0.18 0.95 -0.92 0.00 0.00 175.35 174.72 2ofd s THR 23 N 2.07 2.70 -0.10 2.17 -4.23 -0.32 -4.97 115.64 112.97 2ofd s THR 23 Ca 0.04 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 2ofd s THR 23 Cb -0.13 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.39 2ofd s THR 23 CO -0.05 -0.16 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.08 2ofd s VAL 24 N -1.82 1.05 0.65 2.29 1.01 -1.26 -1.94 120.40 120.36 2ofd s VAL 24 Ca 0.24 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 2ofd s VAL 24 Cb -0.08 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 2ofd s VAL 24 CO 0.13 0.36 1.08 0.86 0.00 0.00 0.00 175.10 177.53 2ofd s TRP 25 N 1.35 2.80 -1.12 5.22 -0.11 -0.30 -4.95 118.94 121.83 2ofd s TRP 25 Ca -0.02 1.52 0.27 0.00 1.22 0.00 0.00 56.10 59.10 2ofd s TRP 25 Cb -0.14 -3.07 0.86 0.00 -1.50 0.00 0.00 33.47 29.62 2ofd s TRP 25 CO -0.04 -1.44 1.65 0.36 -4.62 0.00 0.00 176.95 172.86 2ofd n LYS 26 N -2.45 0.13 -1.69 5.86 2.85 -1.26 -4.37 118.16 117.24 2ofd n LYS 26 Ca 0.09 -0.05 -0.29 0.00 -1.05 0.00 0.00 58.31 57.01 2ofd n LYS 26 Cb 0.53 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.51 2ofd n LYS 26 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2ofd s TYR 27 N -2.91 2.79 -1.50 5.58 2.02 -1.26 -3.79 117.35 118.29 2ofd s TYR 27 Ca 0.15 0.90 -0.12 0.00 -0.37 0.00 0.00 57.07 57.62 2ofd s TYR 27 Cb 0.18 -3.34 0.07 0.00 -0.40 0.00 0.00 41.96 38.48 2ofd s TYR 27 CO 0.61 -1.95 0.89 0.00 -1.57 0.00 0.00 175.55 173.52 2ofd n ALA 28 N -3.49 -1.22 -2.04 3.71 0.00 -1.26 -0.92 120.51 115.29 2ofd n ALA 28 Ca 0.07 0.20 -0.17 0.00 0.00 0.00 0.00 53.44 53.55 2ofd n ALA 28 Cb 0.59 -4.25 -0.03 0.00 0.00 0.00 0.00 19.45 15.76 2ofd n ALA 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ofd n ASN 29 N -2.73 -4.96 0.00 0.00 3.02 -1.26 -2.85 115.26 106.47 2ofd n ASN 29 Ca 0.02 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2ofd n ASN 29 Cb 0.54 -4.02 0.00 0.00 -0.61 0.00 0.00 39.78 35.69 2ofd n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ofd n GLY 30 N -0.99 2.76 0.00 7.41 0.00 -0.10 -4.39 105.19 109.89 2ofd n GLY 30 Ca -0.19 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2ofd n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ofd n GLY 31 N 0.00 -0.62 3.32 -0.02 0.00 -1.26 -1.11 105.19 105.50 2ofd n GLY 31 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 2ofd n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ofd s THR 32 N -3.00 -0.01 -0.09 2.61 2.01 0.15 -4.99 115.64 112.32 2ofd s THR 32 Ca 0.00 0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 2ofd s THR 32 Cb 0.00 -0.62 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 2ofd s THR 32 CO 0.00 0.01 0.27 0.26 -0.69 0.00 0.00 174.62 174.47 2ofd s TRP 33 N 0.73 3.60 0.34 4.92 0.52 -1.26 -0.83 118.94 126.95 2ofd s TRP 33 Ca -0.04 0.69 0.07 0.00 0.02 0.00 0.00 56.10 56.85 2ofd s TRP 33 Cb -0.05 -2.17 -0.03 0.00 -1.15 0.00 0.00 33.47 30.06 2ofd s TRP 33 CO -0.05 0.55 0.28 -0.08 0.02 0.00 0.00 176.95 177.66 2ofd s THR 34 N -0.58 0.03 -0.09 2.01 -1.32 -0.13 -4.98 115.64 110.57 2ofd s THR 34 Ca 0.18 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.68 2ofd s THR 34 Cb -0.14 -2.49 0.01 0.00 -1.51 0.00 0.00 72.50 68.38 2ofd s THR 34 CO 0.07 0.00 -0.14 -0.63 -2.21 0.00 0.00 174.62 171.71 2ofd s ILE 35 N -3.41 1.37 -0.05 5.08 1.01 -1.26 -1.01 121.20 122.93 2ofd s ILE 35 Ca 0.40 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.47 2ofd s ILE 35 Cb 0.02 -1.25 0.03 0.00 0.01 0.00 0.00 42.46 41.26 2ofd s ILE 35 CO 0.28 0.41 -0.02 -0.89 0.00 0.00 0.00 174.94 174.72 2ofd s THR 36 N 0.88 0.38 -1.47 2.92 2.01 -0.64 -4.89 115.64 114.84 2ofd s THR 36 Ca -0.09 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.87 2ofd s THR 36 Cb -0.15 -0.47 0.04 0.00 0.01 0.00 0.00 72.50 71.93 2ofd s THR 36 CO 0.01 0.22 0.60 0.47 -0.69 0.00 0.00 174.62 175.22 2ofd n ASP 37 N 4.45 -1.57 -1.34 3.53 8.00 -1.26 -0.66 116.55 127.70 2ofd n ASP 37 Ca -0.19 -0.96 -0.17 0.00 0.71 0.00 0.00 54.79 54.18 2ofd n ASP 37 Cb 0.50 -3.22 -0.07 0.00 -0.02 0.00 0.00 41.12 38.31 2ofd n ASP 37 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ofd n ASP 38 N -2.91 -5.21 -4.59 -2.24 9.92 -1.26 -5.00 116.55 105.26 2ofd n ASP 38 Ca -0.19 0.43 -0.33 0.00 -0.53 0.00 0.00 54.79 54.18 2ofd n ASP 38 Cb 0.63 -4.25 -0.11 0.00 -0.64 0.00 0.00 41.12 36.75 2ofd n ASP 38 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2ofd s GLN 39 N -3.47 2.62 -0.31 -1.24 -0.21 0.16 -4.79 119.66 112.41 2ofd s GLN 39 Ca 0.00 -0.66 -0.21 0.00 0.02 0.00 0.00 55.36 54.51 2ofd s GLN 39 Cb 0.00 -2.53 -0.01 0.00 1.00 0.00 0.00 33.01 31.47 2ofd s GLN 39 CO 0.00 0.62 0.66 -1.01 -2.12 0.00 0.00 175.29 173.44 2ofd s HIS 40 N -0.94 3.20 -0.25 0.91 3.76 -0.70 -1.62 115.29 119.65 2ofd s HIS 40 Ca 0.16 0.59 -0.03 0.00 -0.15 0.00 0.00 55.06 55.62 2ofd s HIS 40 Cb -0.11 -3.05 0.01 0.00 1.11 0.00 0.00 32.58 30.54 2ofd s HIS 40 CO 0.06 -0.51 -0.03 0.08 -0.85 0.00 0.00 174.74 173.49 2ofd s VAL 41 N 2.68 3.26 -0.29 -0.90 1.01 -0.18 -0.16 120.40 125.83 2ofd s VAL 41 Ca 0.26 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 2ofd s VAL 41 Cb -0.15 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 2ofd s VAL 41 CO 0.12 0.27 0.17 -0.22 0.00 0.00 0.00 175.10 175.44 2ofd s LEU 42 N 1.42 4.01 -0.15 3.92 2.96 0.32 -0.96 118.68 130.20 2ofd s LEU 42 Ca 0.03 -0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 2ofd s LEU 42 Cb -0.16 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 2ofd s LEU 42 CO -0.03 -0.10 0.01 -0.89 -1.32 0.00 0.00 176.35 174.02 2ofd s THR 43 N 1.71 4.33 0.07 3.68 2.01 -0.01 -0.50 115.64 126.93 2ofd s THR 43 Ca 0.06 -0.21 0.08 0.00 0.31 0.00 0.00 61.69 61.94 2ofd s THR 43 Cb -0.16 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 2ofd s THR 43 CO 0.09 0.51 -0.22 -0.04 -0.69 0.00 0.00 174.62 174.28 2ofd s MET 44 N 0.02 1.31 0.06 4.92 -1.94 0.22 -0.68 119.30 123.20 2ofd s MET 44 Ca 0.03 -1.07 0.16 0.00 -1.71 0.00 0.00 55.69 53.10 2ofd s MET 44 Cb -0.13 -1.51 0.67 0.00 2.01 0.00 0.00 34.83 35.87 2ofd s MET 44 CO 0.02 0.37 1.49 0.41 -0.01 0.00 0.00 175.02 177.30 2ofd n GLY 45 N 1.47 -1.03 0.00 -0.03 0.00 -0.27 -1.75 105.19 103.59 2ofd n GLY 45 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2ofd n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ofd n GLY 46 N -0.10 -1.33 3.76 -0.02 0.00 -1.13 -4.21 105.19 102.14 2ofd n GLY 46 Ca 0.03 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 2ofd n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ofd s SER 47 N -3.61 7.47 0.00 1.61 0.15 -1.26 -4.48 113.70 113.58 2ofd s SER 47 Ca 0.00 2.01 0.00 0.00 0.70 0.00 0.00 55.95 58.66 2ofd s SER 47 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2ofd s SER 47 CO 0.00 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2ofd n GLY 48 N 1.22 1.34 0.00 9.45 0.00 0.15 -4.70 105.19 112.65 2ofd n GLY 48 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2ofd n GLY 48 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ofd n THR 49 N -0.15 0.00 -3.79 2.61 5.66 -1.19 -4.58 114.28 112.85 2ofd n THR 49 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 2ofd n THR 49 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2ofd n THR 49 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2ofd s SER 50 N -0.51 -0.07 0.00 1.09 1.04 -1.26 -2.09 113.70 111.90 2ofd s SER 50 Ca 0.00 -0.40 -0.08 0.00 0.48 0.00 0.00 55.95 55.95 2ofd s SER 50 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2ofd s SER 50 CO 0.00 -0.71 0.15 -0.83 0.98 0.00 0.00 173.24 172.83 2ofd s GLY 51 N -3.19 0.03 -0.09 7.32 0.00 -0.35 -1.16 107.32 109.88 2ofd s GLY 51 Ca 0.18 -0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.80 2ofd s GLY 51 CO 0.01 -0.27 -0.17 -1.59 0.00 0.00 0.00 173.10 171.09 2ofd s THR 52 N -1.49 2.74 -0.19 0.90 2.01 -0.82 -1.63 115.64 117.17 2ofd s THR 52 Ca -0.14 -0.80 -0.06 0.00 0.31 0.00 0.00 61.69 61.01 2ofd s THR 52 Cb -0.07 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 2ofd s THR 52 CO 0.01 0.55 0.02 -0.76 -0.69 0.00 0.00 174.62 173.76 2ofd s LEU 53 N 0.01 3.48 -0.11 4.42 1.43 0.01 -1.17 118.68 126.73 2ofd s LEU 53 Ca -0.06 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2ofd s LEU 53 Cb -0.15 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 2ofd s LEU 53 CO 0.05 0.12 -0.02 -0.60 0.23 0.00 0.00 176.35 176.13 2ofd s ARG 54 N 0.65 3.27 0.08 1.70 3.52 -0.54 -0.48 118.95 127.14 2ofd s ARG 54 Ca 0.01 -0.47 0.10 0.00 -0.13 0.00 0.00 55.73 55.24 2ofd s ARG 54 Cb -0.14 -2.84 -0.03 0.00 -1.56 0.00 0.00 34.95 30.38 2ofd s ARG 54 CO 0.02 0.50 -0.26 -0.06 -0.81 0.00 0.00 175.30 174.69 2ofd s PHE 55 N -0.33 2.30 -0.00 5.12 0.40 -0.30 -0.47 117.98 124.70 2ofd s PHE 55 Ca 0.06 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.02 2ofd s PHE 55 Cb -0.12 -1.33 -0.01 0.00 0.51 0.00 0.00 43.02 42.07 2ofd s PHE 55 CO 0.02 0.20 -0.09 -1.58 0.70 0.00 0.00 175.22 174.48 2ofd s HIS 56 N -0.90 0.79 0.17 0.36 2.46 -0.60 -2.27 115.29 115.30 2ofd s HIS 56 Ca 0.12 -0.18 0.06 0.00 0.47 0.00 0.00 55.06 55.54 2ofd s HIS 56 Cb -0.10 -0.50 -0.04 0.00 -0.13 0.00 0.00 32.58 31.81 2ofd s HIS 56 CO 0.03 -0.01 0.07 0.00 -2.47 0.00 0.00 174.74 172.36 2ofd s ALA 57 N -0.30 3.39 0.64 1.58 0.00 0.33 -1.46 121.76 125.95 2ofd s ALA 57 Ca 0.02 -1.30 0.38 0.00 0.00 0.00 0.00 51.96 51.06 2ofd s ALA 57 Cb -0.04 -1.18 2.11 0.00 0.00 0.00 0.00 23.12 24.01 2ofd s ALA 57 CO -0.00 0.48 2.26 -0.44 0.00 0.00 0.00 175.76 178.06 2ofd h ASP 58 N 2.52 0.00 -0.05 0.00 3.32 -1.88 -1.38 116.42 118.96 2ofd h ASP 58 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2ofd h ASP 58 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2ofd h ASP 58 CO 0.61 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.67 2ofd n ASN 59 N -3.31 0.96 0.00 6.45 0.23 -1.26 -4.92 115.26 113.41 2ofd n ASN 59 Ca -0.02 -1.42 0.00 0.00 -0.53 0.00 0.00 54.58 52.61 2ofd n ASN 59 Cb 0.14 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 2ofd n ASN 59 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ofd n GLY 60 N 1.07 0.90 3.77 4.83 0.00 -0.52 -5.07 105.19 110.16 2ofd n GLY 60 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2ofd n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ofd s GLU 61 N -0.99 4.13 0.09 1.61 2.02 -1.26 -4.82 118.70 119.49 2ofd s GLU 61 Ca 0.00 2.08 -0.16 0.00 0.02 0.00 0.00 54.97 56.91 2ofd s GLU 61 Cb 0.00 -2.85 0.03 0.00 0.10 0.00 0.00 34.13 31.41 2ofd s GLU 61 CO 0.00 -0.33 0.39 -1.54 0.02 0.00 0.00 175.26 173.80 2ofd s SER 62 N -0.77 -0.22 0.19 -0.19 1.04 -1.26 -0.51 113.70 111.98 2ofd s SER 62 Ca 0.54 -0.24 -0.22 0.00 0.48 0.00 0.00 55.95 56.52 2ofd s SER 62 Cb -0.36 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.25 2ofd s SER 62 CO 0.47 -0.78 0.61 0.72 0.98 0.00 0.00 173.24 175.25 2ofd s PHE 63 N -3.35 -0.39 0.02 5.02 -0.71 -0.96 -3.45 117.98 114.16 2ofd s PHE 63 Ca 0.00 0.10 0.05 0.00 -1.04 0.00 0.00 56.93 56.04 2ofd s PHE 63 Cb 0.01 0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 42.36 2ofd s PHE 63 CO -0.09 -0.95 -0.14 0.95 -1.34 0.00 0.00 175.22 173.65 2ofd s THR 64 N -3.81 3.06 -0.16 -4.49 -4.23 -0.43 -1.15 115.64 104.43 2ofd s THR 64 Ca 0.05 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 2ofd s THR 64 Cb -0.02 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 71.55 2ofd s THR 64 CO -0.07 0.40 -0.18 0.00 -0.54 0.00 0.00 174.62 174.23 2ofd s ALA 65 N -0.91 2.12 -0.07 3.99 0.00 0.37 -2.28 121.76 124.97 2ofd s ALA 65 Ca 0.15 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.08 2ofd s ALA 65 Cb -0.11 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 2ofd s ALA 65 CO 0.05 -0.31 -0.20 0.99 0.00 0.00 0.00 175.76 176.29 2ofd s THR 66 N 1.29 2.53 -0.02 0.00 2.01 -0.54 -0.81 115.64 120.09 2ofd s THR 66 Ca 0.03 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.17 2ofd s THR 66 Cb -0.13 -1.97 -0.00 0.00 0.01 0.00 0.00 72.50 70.41 2ofd s THR 66 CO -0.10 0.57 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.93 2ofd s PHE 67 N -0.23 1.06 0.11 4.92 0.40 -0.64 -2.32 117.98 121.28 2ofd s PHE 67 Ca -0.01 -0.26 -0.07 0.00 -0.60 0.00 0.00 56.93 56.00 2ofd s PHE 67 Cb -0.13 -0.73 0.03 0.00 0.51 0.00 0.00 43.02 42.69 2ofd s PHE 67 CO 0.03 -0.09 0.35 0.41 0.70 0.00 0.00 175.22 176.62 2ofd n GLY 68 N 3.16 1.34 3.00 4.36 0.00 -0.97 -1.22 105.19 114.87 2ofd n GLY 68 Ca -0.17 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.54 2ofd n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ofd s VAL 69 N -2.52 1.11 -0.14 1.61 1.01 -0.89 -0.96 120.40 119.62 2ofd s VAL 69 Ca 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2ofd s VAL 69 Cb -0.02 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.35 2ofd s VAL 69 CO 0.03 0.36 -0.13 -2.28 0.00 0.00 0.00 175.10 173.09 2ofd s HIS 70 N 0.88 2.00 -1.41 5.22 5.04 0.22 -0.67 115.29 126.57 2ofd s HIS 70 Ca -0.10 -1.10 -0.11 0.00 -1.54 0.00 0.00 55.06 52.20 2ofd s HIS 70 Cb -0.15 -1.51 0.01 0.00 0.04 0.00 0.00 32.58 30.98 2ofd s HIS 70 CO 0.01 -0.63 0.30 0.09 -2.34 0.00 0.00 174.74 172.17 2ofd n ASN 71 N 4.81 -1.05 -0.08 9.88 3.02 -1.26 -1.75 115.26 128.83 2ofd n ASN 71 Ca -0.16 -1.23 -0.01 0.00 -0.03 0.00 0.00 54.58 53.15 2ofd n ASN 71 Cb 0.50 -1.92 -0.00 0.00 -0.61 0.00 0.00 39.78 37.74 2ofd n ASN 71 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2ofd n TYR 72 N -4.68 0.00 -5.10 3.10 4.01 -1.26 -4.99 117.16 108.23 2ofd n TYR 72 Ca -0.25 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.20 2ofd n TYR 72 Cb 0.65 -1.18 -0.16 0.00 -0.31 0.00 0.00 39.34 38.34 2ofd n TYR 72 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2ofd s LYS 73 N -1.26 2.26 0.67 -0.72 -0.14 -0.72 -4.89 119.74 114.94 2ofd s LYS 73 Ca 0.00 -0.79 -0.16 0.00 -1.36 0.00 0.00 55.97 53.65 2ofd s LYS 73 Cb 0.00 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 34.23 2ofd s LYS 73 CO 0.00 0.33 1.18 -0.98 -0.76 0.00 0.00 175.35 175.12 2ofd s ARG 74 N -0.09 2.59 0.12 1.68 3.03 -1.26 -0.61 118.95 124.41 2ofd s ARG 74 Ca -0.04 1.70 -0.02 0.00 2.03 0.00 0.00 55.73 59.40 2ofd s ARG 74 Cb -0.13 -1.89 -0.03 0.00 -1.03 0.00 0.00 34.95 31.86 2ofd s ARG 74 CO 0.03 -1.48 0.07 1.67 -1.13 0.00 0.00 175.30 174.46 2ofd s TRP 75 N -1.93 0.70 0.14 5.89 1.48 -0.14 -3.68 118.94 121.41 2ofd s TRP 75 Ca 0.74 -1.12 -0.18 0.00 -1.06 0.00 0.00 56.10 54.48 2ofd s TRP 75 Cb -0.27 -0.39 0.04 0.00 -1.16 0.00 0.00 33.47 31.68 2ofd s TRP 75 CO 0.40 -0.51 0.47 0.00 -4.06 0.00 0.00 176.95 173.24 2ofd s ASP 77 N -2.80 -0.62 -0.05 0.00 2.15 -0.98 -4.72 116.67 109.63 2ofd s ASP 77 Ca 0.04 0.61 0.05 0.00 0.43 0.00 0.00 52.55 53.67 2ofd s ASP 77 Cb 0.01 0.53 -0.00 0.00 -0.30 0.00 0.00 42.92 43.15 2ofd s ASP 77 CO -0.11 -0.63 -0.20 -0.63 -0.17 0.00 0.00 175.17 173.43 2ofd s ILE 78 N -1.50 1.67 -0.12 4.11 1.01 -1.26 -1.47 121.20 123.65 2ofd s ILE 78 Ca -0.09 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.75 2ofd s ILE 78 Cb -0.00 -1.43 -0.00 0.00 0.01 0.00 0.00 42.46 41.03 2ofd s ILE 78 CO 0.07 0.47 -0.21 -0.69 0.00 0.00 0.00 174.94 174.58 2ofd s VAL 79 N 0.04 2.30 0.48 2.92 1.01 -0.97 -4.98 120.40 121.21 2ofd s VAL 79 Ca -0.06 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.03 2ofd s VAL 79 Cb -0.13 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.37 2ofd s VAL 79 CO 0.03 0.55 0.26 0.35 0.00 0.00 0.00 175.10 176.29 2ofd n THR 80 N 3.67 0.00 -3.78 3.92 -2.24 -1.26 -1.31 114.28 113.28 2ofd n THR 80 Ca -0.19 -2.00 -0.26 0.00 -2.27 0.00 0.00 64.05 59.33 2ofd n THR 80 Cb 0.53 0.07 0.04 0.00 -2.10 0.00 0.00 70.33 68.87 2ofd n THR 80 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ofd n ASN 81 N -1.68 -4.24 -4.73 3.42 3.02 -1.22 -4.90 115.26 104.92 2ofd n ASN 81 Ca -0.07 -0.73 -0.42 0.00 -0.03 0.00 0.00 54.58 53.34 2ofd n ASN 81 Cb 0.56 -4.24 -0.03 0.00 -0.61 0.00 0.00 39.78 35.46 2ofd n ASN 81 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ofd s LEU 82 N -7.11 4.39 0.81 3.41 1.43 -1.26 -5.03 118.68 115.32 2ofd s LEU 82 Ca 0.47 2.42 -0.12 0.00 -1.03 0.00 0.00 54.13 55.88 2ofd s LEU 82 Cb -0.23 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.46 2ofd s LEU 82 CO 0.80 -0.61 1.10 0.00 0.23 0.00 0.00 176.35 177.87 2ofd s ALA 83 N 0.48 2.22 0.53 4.21 0.00 -1.26 -4.92 121.76 123.01 2ofd s ALA 83 Ca 0.60 -0.24 0.20 0.00 0.00 0.00 0.00 51.96 52.53 2ofd s ALA 83 Cb -0.38 -3.10 1.41 0.00 0.00 0.00 0.00 23.12 21.05 2ofd s ALA 83 CO 0.36 -1.77 2.16 0.00 0.00 0.00 0.00 175.76 176.51 2ofd h ALA 84 N -1.12 1.80 -0.17 0.00 0.00 -2.02 -1.71 119.26 116.03 2ofd h ALA 84 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2ofd h ALA 84 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ofd h ALA 84 CO 0.60 0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 2ofd n ASP 85 N -4.27 2.07 -4.15 0.00 5.75 -1.26 -4.47 116.55 110.21 2ofd n ASP 85 Ca -0.03 -1.75 -0.44 0.00 -0.01 0.00 0.00 54.79 52.56 2ofd n ASP 85 Cb 0.11 -0.11 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 2ofd n ASP 85 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2ofd n GLU 86 N 0.59 4.02 -1.78 0.11 1.02 -0.64 -4.93 120.64 119.02 2ofd n GLU 86 Ca 0.17 -4.44 -0.29 0.00 -0.02 0.00 0.00 57.16 52.58 2ofd n GLU 86 Cb 0.40 -2.57 0.13 0.00 -0.02 0.00 0.00 31.44 29.39 2ofd n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2ofd s THR 87 N -1.86 1.98 0.24 2.62 -4.23 -1.26 -4.72 115.64 108.41 2ofd s THR 87 Ca 0.32 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.78 2ofd s THR 87 Cb -0.01 -2.91 0.18 0.00 1.34 0.00 0.00 72.50 71.10 2ofd s THR 87 CO 0.02 0.00 1.83 1.23 -0.54 0.00 0.00 174.62 177.16 2ofd h GLY 88 N -1.38 1.19 1.81 3.99 0.00 -1.95 -2.36 103.07 104.38 2ofd h GLY 88 Ca -0.47 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 46.19 2ofd h GLY 88 CO 0.57 0.58 -0.19 0.00 0.00 0.00 0.00 176.54 177.50 2ofd h MET 89 N 1.10 0.23 0.12 4.80 -0.00 -1.93 0.17 114.93 119.41 2ofd h MET 89 Ca 0.26 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.70 59.89 2ofd h MET 89 Cb 0.15 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 31.73 2ofd h MET 89 CO -0.03 0.42 -0.06 0.28 -0.00 0.00 0.00 176.91 177.52 2ofd h VAL 90 N 0.21 1.01 -0.42 -0.10 2.07 -1.81 -3.01 116.25 114.21 2ofd h VAL 90 Ca 0.04 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2ofd h VAL 90 Cb 0.46 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2ofd h VAL 90 CO 0.03 0.13 0.25 0.40 0.02 0.00 0.00 177.57 178.39 2ofd h ILE 91 N -0.41 1.14 -0.88 4.57 1.08 -1.18 -2.88 117.51 118.96 2ofd h ILE 91 Ca -0.02 -0.34 0.08 0.00 -0.39 0.00 0.00 64.86 64.19 2ofd h ILE 91 Cb 0.33 0.61 -0.07 0.00 -3.07 0.00 0.00 36.82 34.62 2ofd h ILE 91 CO 0.03 0.14 0.54 -1.13 -0.69 0.00 0.00 178.15 177.04 2ofd h ASN 92 N 0.55 0.83 0.08 1.72 -0.73 -1.03 -2.15 115.58 114.86 2ofd h ASN 92 Ca 0.15 0.03 -0.10 0.00 1.87 0.00 0.00 56.30 58.25 2ofd h ASN 92 Cb 0.02 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 2ofd h ASN 92 CO -0.03 0.51 -0.33 -0.61 -0.37 0.00 0.00 177.43 176.60 2ofd h GLN 93 N 0.95 0.36 0.00 6.67 4.15 -1.38 -3.15 115.11 122.71 2ofd h GLN 93 Ca 0.40 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.67 2ofd h GLN 93 Cb 0.25 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.92 2ofd h GLN 93 CO -0.20 0.65 0.00 1.96 -1.93 0.00 0.00 178.83 179.31 2ofd h GLN 94 N 0.31 0.00 0.00 1.69 4.20 -1.17 -1.81 115.11 118.33 2ofd h GLN 94 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2ofd h GLN 94 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 2ofd h GLN 94 CO 0.06 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.88 2ofd n TYR 95 N -3.05 0.00 -1.33 2.96 4.01 -1.19 -0.80 117.16 117.76 2ofd n TYR 95 Ca -0.02 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.79 2ofd n TYR 95 Cb 0.15 -0.33 0.09 0.00 -0.31 0.00 0.00 39.34 38.94 2ofd n TYR 95 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2ofd n TYR 96 N -1.33 0.00 0.03 -0.72 4.01 -0.68 -4.12 117.16 114.35 2ofd n TYR 96 Ca 0.09 -0.67 0.00 0.00 -0.16 0.00 0.00 57.90 57.16 2ofd n TYR 96 Cb 0.17 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 2ofd n TYR 96 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2ofd n SER 97 N -0.96 -0.09 -4.79 7.72 7.64 -1.06 -5.09 113.62 117.00 2ofd n SER 97 Ca 0.11 0.10 -0.36 0.00 1.01 0.00 0.00 58.87 59.72 2ofd n SER 97 Cb 0.65 0.15 -0.07 0.00 -1.01 0.00 0.00 64.21 63.93 2ofd n SER 97 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2ofd s GLN 98 N -2.00 3.93 0.15 1.43 0.74 0.02 -4.99 119.66 118.94 2ofd s GLN 98 Ca 0.00 -0.11 -0.20 0.00 0.05 0.00 0.00 55.36 55.10 2ofd s GLN 98 Cb 0.00 -3.33 0.04 0.00 1.10 0.00 0.00 33.01 30.82 2ofd s GLN 98 CO 0.00 0.48 1.66 -0.22 -0.55 0.00 0.00 175.29 176.66 2ofd h LYS 99 N 5.99 -0.10 -0.12 1.67 3.64 -1.99 1.00 116.57 126.65 2ofd h LYS 99 Ca -0.46 0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 58.77 2ofd h LYS 99 Cb 1.18 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2ofd h LYS 99 CO 0.69 -0.07 -0.59 -2.95 -2.27 0.00 0.00 179.45 174.26 2ofd h ASN 100 N -0.11 0.45 -0.28 4.20 -1.07 -1.95 -1.50 115.58 115.32 2ofd h ASN 100 Ca 0.15 -0.25 -0.09 0.00 0.07 0.00 0.00 56.30 56.18 2ofd h ASN 100 Cb 0.34 -0.13 -0.01 0.00 -2.07 0.00 0.00 38.32 36.45 2ofd h ASN 100 CO -0.36 0.94 -0.17 0.03 0.07 0.00 0.00 177.43 177.94 2ofd h ARG 101 N 0.30 0.61 -0.54 4.14 3.08 -1.71 -2.24 114.38 118.02 2ofd h ARG 101 Ca -0.00 -0.28 0.06 0.00 0.07 0.00 0.00 59.98 59.82 2ofd h ARG 101 Cb 1.12 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.11 2ofd h ARG 101 CO 0.10 0.87 0.26 0.93 -1.07 0.00 0.00 179.97 181.06 2ofd h GLU 102 N 0.35 0.48 -0.55 0.04 5.08 -0.71 -2.29 114.58 116.97 2ofd h GLU 102 Ca 0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2ofd h GLU 102 Cb 0.70 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2ofd h GLU 102 CO 0.05 0.32 0.26 0.93 -1.00 0.00 0.00 179.01 179.56 2ofd h GLU 103 N 0.49 0.78 -0.33 2.33 5.08 -1.26 -0.99 114.58 120.68 2ofd h GLU 103 Ca 0.25 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2ofd h GLU 103 Cb 0.19 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2ofd h GLU 103 CO -0.19 0.61 0.19 0.00 -1.00 0.00 0.00 179.01 178.62 2ofd h ALA 104 N 1.51 0.41 -0.22 3.43 0.00 -0.88 -2.19 119.26 121.32 2ofd h ALA 104 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2ofd h ALA 104 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2ofd h ALA 104 CO -0.02 -0.17 0.14 -0.09 0.00 0.00 0.00 179.25 179.11 2ofd h ARG 105 N 0.39 0.28 0.00 0.00 2.43 -0.92 -2.93 114.38 113.63 2ofd h ARG 105 Ca 0.13 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2ofd h ARG 105 Cb 0.00 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2ofd h ARG 105 CO -0.06 0.18 -0.05 0.93 -1.51 0.00 0.00 179.97 179.46 2ofd h GLU 106 N 0.28 0.00 0.00 0.20 5.08 -0.97 -1.96 114.58 117.22 2ofd h GLU 106 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2ofd h GLU 106 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2ofd h GLU 106 CO -0.03 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 2ofd h ARG 107 N 0.00 0.00 -6.40 2.33 3.08 -1.20 -3.47 114.38 108.73 2ofd h ARG 107 Ca -0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 2ofd h ARG 107 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 2ofd h ARG 107 CO 0.01 0.00 -0.90 1.04 -1.07 0.00 0.00 179.97 179.05 2ofd n GLN 108 N -2.59 -2.81 -2.58 0.04 6.02 -0.74 -4.88 117.38 109.84 2ofd n GLN 108 Ca 0.00 0.43 -0.41 0.00 -0.01 0.00 0.00 57.00 57.01 2ofd n GLN 108 Cb 0.19 -4.43 -0.04 0.00 1.02 0.00 0.00 30.24 26.99 2ofd n GLN 108 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ofd s LEU 109 N -6.82 4.44 0.00 1.08 1.43 -1.24 -4.73 118.68 112.84 2ofd s LEU 109 Ca 0.14 1.91 0.26 0.00 -1.03 0.00 0.00 54.13 55.42 2ofd s LEU 109 Cb -0.05 -3.59 0.72 0.00 0.03 0.00 0.00 46.19 43.30 2ofd s LEU 109 CO 0.88 -0.25 1.56 -1.54 0.23 0.00 0.00 176.35 177.23 2ofd n SER 110 N 3.13 0.46 -3.58 2.29 3.41 -1.26 -3.47 113.62 114.60 2ofd n SER 110 Ca 0.05 -0.20 -0.16 0.00 -0.26 0.00 0.00 58.87 58.30 2ofd n SER 110 Cb 0.48 0.08 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 2ofd n SER 110 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2ofd s ASN 111 N -2.91 -0.68 -0.13 4.04 2.20 -1.26 -1.04 114.94 115.16 2ofd s ASN 111 Ca 0.14 1.00 -0.15 0.00 -0.94 0.00 0.00 52.86 52.91 2ofd s ASN 111 Cb 0.18 0.92 0.04 0.00 -2.00 0.00 0.00 41.25 40.39 2ofd s ASN 111 CO 0.63 -0.45 0.41 -0.47 -2.94 0.00 0.00 177.10 174.29 2ofd s TYR 112 N -0.52 -0.41 0.03 1.54 5.04 -0.60 -5.00 117.35 117.44 2ofd s TYR 112 Ca -0.06 0.96 0.01 0.00 -2.44 0.00 0.00 57.07 55.53 2ofd s TYR 112 Cb -0.02 0.16 -0.02 0.00 0.35 0.00 0.00 41.96 42.42 2ofd s TYR 112 CO 0.06 -0.27 -0.05 -1.83 -1.34 0.00 0.00 175.55 172.13 2ofd s GLU 113 N -0.11 0.44 -0.00 4.97 -1.05 -1.26 -0.97 118.70 120.72 2ofd s GLU 113 Ca -0.03 -0.77 -0.24 0.00 -0.15 0.00 0.00 54.97 53.78 2ofd s GLU 113 Cb -0.03 -0.01 0.05 0.00 -0.44 0.00 0.00 34.13 33.70 2ofd s GLU 113 CO 0.02 -0.03 0.54 0.54 0.95 0.00 0.00 175.26 177.28 2ofd s VAL 114 N -1.87 0.02 0.05 1.83 0.11 -0.82 -5.00 120.40 114.73 2ofd s VAL 114 Ca -0.10 -0.20 0.03 0.00 -2.93 0.00 0.00 61.98 58.78 2ofd s VAL 114 Cb -0.07 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 2ofd s VAL 114 CO -0.02 -0.11 0.03 -0.54 -3.33 0.00 0.00 175.10 171.13 2ofd s LYS 115 N -1.75 2.76 0.83 1.54 1.02 -1.26 -1.66 119.74 121.21 2ofd s LYS 115 Ca -0.09 -0.70 -0.07 0.00 0.02 0.00 0.00 55.97 55.13 2ofd s LYS 115 Cb -0.01 -2.66 0.17 0.00 -0.52 0.00 0.00 37.83 34.80 2ofd s LYS 115 CO 0.04 0.58 1.14 0.54 -0.92 0.00 0.00 175.35 176.73 2ofd s ASN 116 N -2.06 3.75 0.54 2.83 2.20 -0.54 -4.93 114.94 116.72 2ofd s ASN 116 Ca 0.25 -0.18 0.24 0.00 -0.94 0.00 0.00 52.86 52.23 2ofd s ASN 116 Cb -0.12 -0.02 1.49 0.00 -2.00 0.00 0.00 41.25 40.60 2ofd s ASN 116 CO 0.17 -2.29 2.15 0.00 -2.94 0.00 0.00 177.10 174.19 2ofd h ALA 117 N -1.02 1.60 -0.00 3.54 0.00 -1.96 -0.33 119.26 121.08 2ofd h ALA 117 Ca -0.39 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2ofd h ALA 117 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2ofd h ALA 117 CO 0.37 0.07 -0.12 1.63 0.00 0.00 0.00 179.25 181.20 2ofd n LYS 118 N -4.03 0.54 -0.33 0.00 5.02 -1.26 -4.94 118.16 113.17 2ofd n LYS 118 Ca -0.03 -0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 2ofd n LYS 118 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2ofd n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ofd n GLY 119 N 1.32 0.78 3.74 0.72 0.00 -0.13 -5.06 105.19 106.55 2ofd n GLY 119 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2ofd n GLY 119 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ofd s ARG 120 N -0.67 4.65 0.09 1.61 3.52 -1.26 -4.78 118.95 122.11 2ofd s ARG 120 Ca 0.00 1.67 -0.07 0.00 -0.13 0.00 0.00 55.73 57.21 2ofd s ARG 120 Cb 0.00 -3.27 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 2ofd s ARG 120 CO 0.00 0.17 0.35 1.21 -0.81 0.00 0.00 175.30 176.23 2ofd s ASN 121 N -0.37 6.53 -0.03 -2.12 2.47 -1.26 -1.47 114.94 118.70 2ofd s ASN 121 Ca 0.47 0.64 0.01 0.00 0.42 0.00 0.00 52.86 54.40 2ofd s ASN 121 Cb -0.29 -2.11 0.01 0.00 -1.45 0.00 0.00 41.25 37.41 2ofd s ASN 121 CO 0.35 0.14 -0.04 -0.36 -3.72 0.00 0.00 177.10 173.47 2ofd s PHE 122 N -1.49 0.58 0.02 0.43 0.40 -0.67 0.31 117.98 117.55 2ofd s PHE 122 Ca 0.35 -0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.58 2ofd s PHE 122 Cb -0.13 -0.49 -0.01 0.00 0.51 0.00 0.00 43.02 42.90 2ofd s PHE 122 CO 0.21 -0.11 -0.07 -2.00 0.70 0.00 0.00 175.22 173.95 2ofd s GLU 123 N 0.52 0.52 -0.11 0.44 2.12 -0.32 -1.94 118.70 119.94 2ofd s GLU 123 Ca -0.06 -0.50 0.02 0.00 0.36 0.00 0.00 54.97 54.79 2ofd s GLU 123 Cb -0.10 -0.41 -0.01 0.00 0.26 0.00 0.00 34.13 33.87 2ofd s GLU 123 CO -0.00 0.10 -0.18 0.42 -0.54 0.00 0.00 175.26 175.06 2ofd s ILE 124 N -0.76 2.63 -0.07 -3.70 1.01 -0.14 -0.35 121.20 119.82 2ofd s ILE 124 Ca -0.03 -0.82 -0.00 0.00 0.00 0.00 0.00 60.65 59.79 2ofd s ILE 124 Cb -0.06 -2.06 0.03 0.00 0.01 0.00 0.00 42.46 40.37 2ofd s ILE 124 CO 0.00 0.54 -0.02 -0.69 0.00 0.00 0.00 174.94 174.77 2ofd s VAL 125 N 0.26 0.51 -0.37 2.92 1.01 -0.63 -1.56 120.40 122.54 2ofd s VAL 125 Ca -0.12 -0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.57 2ofd s VAL 125 Cb -0.16 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.63 2ofd s VAL 125 CO 0.07 0.26 1.02 -0.31 0.00 0.00 0.00 175.10 176.14 2ofd s TYR 126 N 1.61 3.05 -0.21 5.22 1.51 -0.21 -0.52 117.35 127.80 2ofd s TYR 126 Ca -0.00 0.92 0.19 0.00 -1.01 0.00 0.00 57.07 57.17 2ofd s TYR 126 Cb -0.13 -3.82 0.00 0.00 -0.11 0.00 0.00 41.96 37.90 2ofd s TYR 126 CO -0.04 -0.89 1.10 1.79 -1.11 0.00 0.00 175.55 176.40 2ofd h THR 127 N 5.87 0.33 -3.73 -0.71 1.35 -0.99 -3.37 112.91 111.66 2ofd h THR 127 Ca -0.22 -1.57 -0.66 0.00 -0.55 0.00 0.00 66.41 63.41 2ofd h THR 127 Cb 1.07 1.91 -0.39 0.00 -1.73 0.00 0.00 68.15 69.01 2ofd h THR 127 CO 1.03 0.19 -0.75 -1.61 -0.25 0.00 0.00 175.52 174.13 2ofd s GLU 128 N -3.12 1.69 0.00 4.72 2.02 -0.94 -4.95 118.70 118.13 2ofd s GLU 128 Ca 0.00 -1.68 0.15 0.00 0.02 0.00 0.00 54.97 53.46 2ofd s GLU 128 Cb 0.08 -3.07 0.28 0.00 0.10 0.00 0.00 34.13 31.52 2ofd s GLU 128 CO 0.78 -0.82 1.18 0.00 0.02 0.00 0.00 175.26 176.41 2ofd n ALA 129 N 4.33 2.34 -2.72 5.21 0.00 -1.26 -1.42 120.51 126.99 2ofd n ALA 129 Ca -0.02 -0.94 -0.12 0.00 0.00 0.00 0.00 53.44 52.36 2ofd n ALA 129 Cb 0.42 -0.55 -0.11 0.00 0.00 0.00 0.00 19.45 19.21 2ofd n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ofd s GLU 130 N -1.11 0.58 0.94 0.00 0.41 -1.26 -4.72 118.70 113.54 2ofd s GLU 130 Ca 0.25 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 53.94 2ofd s GLU 130 Cb 0.15 -0.25 0.00 0.00 -1.78 0.00 0.00 34.13 32.24 2ofd s GLU 130 CO 0.20 0.03 0.00 0.41 -0.49 0.00 0.00 175.26 175.41 2ofd n GLY 131 N 1.16 -1.80 0.02 -1.39 0.00 -1.26 -4.57 105.19 97.34 2ofd n GLY 131 Ca -0.21 -1.62 0.11 0.00 0.00 0.00 0.00 46.02 44.31 2ofd n GLY 131 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ofd n ASN 132 N 0.31 0.63 -4.07 1.61 4.13 -1.26 -4.65 115.26 111.97 2ofd n ASN 132 Ca 0.00 -0.33 -0.35 0.00 1.68 0.00 0.00 54.58 55.58 2ofd n ASN 132 Cb 0.00 0.53 -0.10 0.00 -1.54 0.00 0.00 39.78 38.68 2ofd n ASN 132 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2ofd s ASP 133 N -3.40 5.27 0.00 6.41 3.68 -1.26 -0.83 116.67 126.54 2ofd s ASP 133 Ca 0.08 -3.16 -0.03 0.00 2.13 0.00 0.00 52.55 51.56 2ofd s ASP 133 Cb 0.16 -1.83 -0.04 0.00 -1.45 0.00 0.00 42.92 39.76 2ofd s ASP 133 CO 0.76 -0.29 0.20 -0.76 0.13 0.00 0.00 175.17 175.22 2ofd s LEU 134 N -0.51 4.37 -0.04 -1.34 1.43 0.26 -4.88 118.68 117.96 2ofd s LEU 134 Ca 0.20 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 2ofd s LEU 134 Cb -0.17 -2.67 0.01 0.00 0.03 0.00 0.00 46.19 43.39 2ofd s LEU 134 CO -0.06 0.25 -0.09 -1.00 0.23 0.00 0.00 176.35 175.68 2ofd s HIS 135 N -1.35 0.98 0.01 0.29 3.76 -0.51 -0.99 115.29 117.50 2ofd s HIS 135 Ca 0.28 -0.28 0.02 0.00 -0.15 0.00 0.00 55.06 54.94 2ofd s HIS 135 Cb -0.13 -0.74 -0.01 0.00 1.11 0.00 0.00 32.58 32.82 2ofd s HIS 135 CO 0.19 -0.15 -0.07 0.00 -0.85 0.00 0.00 174.74 173.86 2ofd s ALA 136 N 0.43 0.60 -0.15 -1.40 0.00 -0.11 -0.28 121.76 120.86 2ofd s ALA 136 Ca -0.07 -0.44 -0.11 0.00 0.00 0.00 0.00 51.96 51.34 2ofd s ALA 136 Cb -0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 2ofd s ALA 136 CO 0.01 0.11 0.23 -0.80 0.00 0.00 0.00 175.76 175.30 2ofd s ASN 137 N -0.56 6.41 -0.29 0.00 0.01 0.32 -1.32 114.94 119.51 2ofd s ASN 137 Ca -0.00 0.47 -0.08 0.00 -0.71 0.00 0.00 52.86 52.54 2ofd s ASN 137 Cb -0.05 -2.14 -0.01 0.00 0.41 0.00 0.00 41.25 39.46 2ofd s ASN 137 CO 0.00 0.21 0.10 -0.22 -1.51 0.00 0.00 177.10 175.69 2ofd s LEU 138 N -0.04 3.81 -0.25 0.60 2.96 0.79 -1.60 118.68 124.95 2ofd s LEU 138 Ca 0.15 -0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 2ofd s LEU 138 Cb -0.13 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.64 2ofd s LEU 138 CO 0.03 -0.14 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.27 2ofd s ILE 139 N 1.58 3.23 -0.25 6.68 1.01 0.52 -0.23 121.20 133.75 2ofd s ILE 139 Ca 0.05 -0.83 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 2ofd s ILE 139 Cb -0.16 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 2ofd s ILE 139 CO 0.04 0.22 0.25 -0.63 0.00 0.00 0.00 174.94 174.83 2ofd s ILE 140 N 1.40 5.28 -2.00 2.92 1.01 0.09 -1.17 121.20 128.72 2ofd s ILE 140 Ca 0.02 0.36 0.32 0.00 0.00 0.00 0.00 60.65 61.34 2ofd s ILE 140 Cb -0.16 -3.59 0.90 0.00 0.01 0.00 0.00 42.46 39.62 2ofd s ILE 140 CO -0.03 0.27 2.21 0.61 0.00 0.00 0.00 174.94 178.00