#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 2.05 -0.04 4.78 1.51 -0.61 -4.88 117.35 120.15 2ofd s TYR 2 Ca 0.00 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.71 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 0.12 -0.17 0.21 -1.11 0.00 0.00 175.55 174.60 2ofd s LYS 3 N -1.25 1.74 -0.15 -0.62 2.20 -0.19 -0.39 119.74 121.08 2ofd s LYS 3 Ca 0.10 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 2ofd s LYS 3 Cb -0.09 -1.52 0.02 0.00 -1.51 0.00 0.00 37.83 34.73 2ofd s LYS 3 CO 0.02 0.24 -0.14 0.42 -0.36 0.00 0.00 175.35 175.53 2ofd s ILE 4 N 0.04 1.57 -0.24 5.43 1.01 0.28 -0.80 121.20 128.48 2ofd s ILE 4 Ca -0.04 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 2ofd s ILE 4 Cb -0.11 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 2ofd s ILE 4 CO 0.02 0.45 0.08 -0.89 0.00 0.00 0.00 174.94 174.60 2ofd s THR 5 N 1.49 4.48 -0.14 2.92 2.01 -0.22 -0.64 115.64 125.54 2ofd s THR 5 Ca 0.05 -0.12 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 2ofd s THR 5 Cb -0.13 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 2ofd s THR 5 CO -0.11 0.34 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.36 2ofd s VAL 6 N 1.46 3.14 -0.15 3.82 1.01 0.70 -0.71 120.40 129.67 2ofd s VAL 6 Ca 0.06 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 2ofd s VAL 6 Cb -0.15 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 2ofd s VAL 6 CO 0.04 0.51 -0.06 -0.13 0.00 0.00 0.00 175.10 175.46 2ofd s ARG 7 N 0.48 3.57 -0.21 2.72 0.52 -0.30 -1.76 118.95 123.98 2ofd s ARG 7 Ca -0.08 -0.57 -0.09 0.00 -0.52 0.00 0.00 55.73 54.47 2ofd s ARG 7 Cb -0.16 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 2ofd s ARG 7 CO 0.04 0.20 0.11 0.08 0.02 0.00 0.00 175.30 175.74 2ofd s VAL 8 N 0.46 5.02 -0.17 3.52 1.01 -1.26 0.07 120.40 129.06 2ofd s VAL 8 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2ofd s VAL 8 Cb -0.15 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2ofd s VAL 8 CO 0.03 0.41 -0.16 -0.31 0.00 0.00 0.00 175.10 175.07 2ofd s TYR 9 N 0.73 2.79 -0.24 5.22 1.51 0.42 -4.97 117.35 122.81 2ofd s TYR 9 Ca 0.06 -1.19 -0.05 0.00 -1.01 0.00 0.00 57.07 54.88 2ofd s TYR 9 Cb -0.13 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.81 2ofd s TYR 9 CO 0.02 -0.57 -0.00 -0.65 -1.11 0.00 0.00 175.55 173.24 2ofd s GLN 10 N 0.98 3.35 -0.00 -0.62 -0.21 -1.26 -0.86 119.66 121.03 2ofd s GLN 10 Ca -0.02 -0.66 0.14 0.00 0.02 0.00 0.00 55.36 54.84 2ofd s GLN 10 Cb -0.15 -3.13 -0.16 0.00 1.00 0.00 0.00 33.01 30.57 2ofd s GLN 10 CO -0.03 -0.25 0.55 0.25 -2.12 0.00 0.00 175.29 173.69 2ofd n THR 11 N 4.82 0.00 -3.88 -0.19 -2.24 -0.97 -4.91 114.28 106.92 2ofd n THR 11 Ca -0.17 -0.20 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 2ofd n THR 11 Cb 0.50 0.88 -0.15 0.00 -2.10 0.00 0.00 70.33 69.46 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 -2.51 4.14 0.00 3.42 3.84 -1.26 -5.00 114.94 117.56 2ofd s ASN 12 Ca 0.04 -1.61 0.05 0.00 0.21 0.00 0.00 52.86 51.54 2ofd s ASN 12 Cb 0.10 -1.16 0.27 0.00 -0.55 0.00 0.00 41.25 39.91 2ofd s ASN 12 CO 0.57 -0.35 0.64 -2.65 -2.79 0.00 0.00 177.10 172.53 2ofd n PRO 13 N 4.64 0.31 0.00 0.43 -0.02 -1.26 -2.97 135.00 136.12 2ofd n PRO 13 Ca -0.04 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.58 2ofd n PRO 13 Cb 0.43 -1.23 0.72 0.00 -0.02 0.00 0.00 33.50 33.40 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 -0.73 0.00 -3.87 2.55 0.23 -1.26 -4.85 115.26 107.34 2ofd n ASN 14 Ca 0.03 -0.22 -0.09 0.00 -0.53 0.00 0.00 54.58 53.77 2ofd n ASN 14 Cb 0.02 -0.24 -0.05 0.00 -2.08 0.00 0.00 39.78 37.42 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 -2.49 -0.44 -0.04 -2.53 0.00 -1.16 -5.06 121.76 110.04 2ofd s ALA 15 Ca 0.29 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.64 2ofd s ALA 15 Cb 0.19 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.21 2ofd s ALA 15 CO 0.41 -0.73 0.06 0.12 0.00 0.00 0.00 175.76 175.62 2ofd s PHE 16 N -3.93 0.05 0.02 0.00 5.36 -1.26 -4.88 117.98 113.34 2ofd s PHE 16 Ca 0.14 0.27 -0.02 0.00 -0.96 0.00 0.00 56.93 56.36 2ofd s PHE 16 Cb 0.01 -0.47 -0.04 0.00 -0.34 0.00 0.00 43.02 42.18 2ofd s PHE 16 CO -0.01 -0.19 0.20 -0.06 -1.46 0.00 0.00 175.22 173.70 2ofd s PHE 17 N 2.17 3.54 0.06 10.12 0.40 -1.26 -3.68 117.98 129.33 2ofd s PHE 17 Ca 0.05 0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.73 2ofd s PHE 17 Cb -0.12 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.56 2ofd s PHE 17 CO -0.03 0.62 -0.07 -3.38 0.70 0.00 0.00 175.22 173.06 2ofd s HIS 18 N -1.40 0.70 0.11 0.36 -3.43 -0.44 -4.92 115.29 106.27 2ofd s HIS 18 Ca 0.30 -0.67 -0.31 0.00 -0.80 0.00 0.00 55.06 53.59 2ofd s HIS 18 Cb -0.13 -0.42 -0.07 0.00 -1.43 0.00 0.00 32.58 30.53 2ofd s HIS 18 CO 0.22 -0.13 1.32 -1.25 -2.00 0.00 0.00 174.74 172.90 2ofd s PRO 19 N -2.42 4.37 0.00 -0.38 0.04 -1.26 -1.33 135.00 134.02 2ofd s PRO 19 Ca -0.03 1.98 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2ofd s PRO 19 Cb -0.04 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2ofd s PRO 19 CO -0.02 -0.35 0.36 1.33 0.04 0.00 0.00 177.00 178.36 2ofd n VAL 20 N 3.73 0.00 -3.61 -0.36 0.24 0.74 -4.94 118.33 114.13 2ofd n VAL 20 Ca 0.10 -0.45 -0.12 0.00 -2.04 0.00 0.00 64.34 61.83 2ofd n VAL 20 Cb 0.44 1.08 -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 -0.18 0.68 -0.17 7.34 2.12 -1.20 -4.96 118.70 122.34 2ofd s GLU 21 Ca 0.00 0.61 -0.04 0.00 0.36 0.00 0.00 54.97 55.90 2ofd s GLU 21 Cb 0.00 0.33 0.07 0.00 0.26 0.00 0.00 34.13 34.79 2ofd s GLU 21 CO 0.00 -0.12 0.14 0.15 -0.54 0.00 0.00 175.26 174.89 2ofd s LYS 22 N -0.08 0.09 0.24 4.30 1.02 -1.26 -1.52 119.74 122.53 2ofd s LYS 22 Ca -0.00 0.10 0.11 0.00 0.02 0.00 0.00 55.97 56.19 2ofd s LYS 22 Cb -0.04 -1.41 -0.05 0.00 -0.52 0.00 0.00 37.83 35.82 2ofd s LYS 22 CO -0.01 -0.61 -0.14 0.95 -0.92 0.00 0.00 175.35 174.61 2ofd s THR 23 N 2.22 2.82 -0.06 2.17 -4.23 -0.37 -4.96 115.64 113.23 2ofd s THR 23 Ca 0.04 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 2ofd s THR 23 Cb -0.15 -2.45 0.02 0.00 1.34 0.00 0.00 72.50 71.27 2ofd s THR 23 CO -0.09 -0.27 -0.03 -0.69 -0.54 0.00 0.00 174.62 172.99 2ofd s VAL 24 N -2.12 0.50 0.61 2.29 1.01 -1.26 -2.04 120.40 119.38 2ofd s VAL 24 Ca 0.27 -0.04 -0.15 0.00 0.00 0.00 0.00 61.98 62.07 2ofd s VAL 24 Cb -0.07 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 2ofd s VAL 24 CO 0.15 0.25 1.05 0.86 0.00 0.00 0.00 175.10 177.41 2ofd s TRP 25 N 1.37 3.07 -1.09 5.22 -0.11 -0.64 -4.95 118.94 121.81 2ofd s TRP 25 Ca -0.04 1.48 0.28 0.00 1.22 0.00 0.00 56.10 59.04 2ofd s TRP 25 Cb -0.13 -2.96 1.04 0.00 -1.50 0.00 0.00 33.47 29.92 2ofd s TRP 25 CO -0.03 -1.07 1.78 0.36 -4.62 0.00 0.00 176.95 173.38 2ofd n LYS 26 N -2.24 0.09 -1.71 5.86 2.85 -1.26 -4.38 118.16 117.37 2ofd n LYS 26 Ca 0.08 -0.02 -0.30 0.00 -1.05 0.00 0.00 58.31 57.02 2ofd n LYS 26 Cb 0.53 -1.50 0.08 0.00 -0.65 0.00 0.00 35.03 33.49 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 -2.93 2.97 -1.46 5.58 2.02 -1.26 -3.73 117.35 118.54 2ofd s TYR 27 Ca 0.15 1.02 -0.06 0.00 -0.37 0.00 0.00 57.07 57.81 2ofd s TYR 27 Cb 0.19 -3.19 0.05 0.00 -0.40 0.00 0.00 41.96 38.60 2ofd s TYR 27 CO 0.57 -1.66 0.69 0.00 -1.57 0.00 0.00 175.55 173.58 2ofd n ALA 28 N -3.32 -1.72 -1.83 3.71 0.00 -1.26 -1.35 120.51 114.74 2ofd n ALA 28 Ca 0.07 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 2ofd n ALA 28 Cb 0.58 -2.66 -0.06 0.00 0.00 0.00 0.00 19.45 17.31 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 -2.92 -5.40 0.00 0.00 3.02 -1.26 -3.00 115.26 105.71 2ofd n ASN 29 Ca -0.16 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2ofd n ASN 29 Cb 0.61 -4.54 0.00 0.00 -0.61 0.00 0.00 39.78 35.24 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 -0.74 2.32 0.00 7.41 0.00 -0.46 -4.51 105.19 109.20 2ofd n GLY 30 Ca -0.20 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.52 3.48 -0.02 0.00 -1.26 -1.77 105.19 105.10 2ofd n GLY 31 Ca 0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.09 -0.01 -0.13 2.61 2.01 -0.22 -5.00 115.64 111.83 2ofd s THR 32 Ca 0.00 0.02 -0.07 0.00 0.31 0.00 0.00 61.69 61.95 2ofd s THR 32 Cb 0.00 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 2ofd s THR 32 CO 0.00 0.01 0.14 0.26 -0.69 0.00 0.00 174.62 174.34 2ofd s TRP 33 N 0.94 3.58 0.31 4.92 0.52 -1.26 -0.86 118.94 127.09 2ofd s TRP 33 Ca -0.05 0.51 -0.01 0.00 0.02 0.00 0.00 56.10 56.57 2ofd s TRP 33 Cb -0.05 -1.96 -0.01 0.00 -1.15 0.00 0.00 33.47 30.30 2ofd s TRP 33 CO -0.08 0.70 0.37 -0.08 0.02 0.00 0.00 176.95 177.87 2ofd s THR 34 N -0.91 0.00 -0.07 2.01 -1.32 0.24 -4.98 115.64 110.61 2ofd s THR 34 Ca 0.14 -1.75 0.04 0.00 -1.21 0.00 0.00 61.69 58.91 2ofd s THR 34 Cb -0.12 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.34 2ofd s THR 34 CO 0.03 0.00 -0.19 -0.63 -2.21 0.00 0.00 174.62 171.62 2ofd s ILE 35 N -3.45 1.64 -0.05 5.08 1.01 -1.26 -0.43 121.20 123.75 2ofd s ILE 35 Ca 0.34 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 2ofd s ILE 35 Cb 0.02 -1.42 0.03 0.00 0.01 0.00 0.00 42.46 41.10 2ofd s ILE 35 CO 0.20 0.47 0.08 -0.89 0.00 0.00 0.00 174.94 174.79 2ofd s THR 36 N 0.23 -0.12 -1.44 2.92 2.01 -0.55 -4.89 115.64 113.80 2ofd s THR 36 Ca -0.10 0.32 -0.06 0.00 0.31 0.00 0.00 61.69 62.15 2ofd s THR 36 Cb -0.15 -0.17 0.04 0.00 0.01 0.00 0.00 72.50 72.24 2ofd s THR 36 CO 0.05 0.13 0.77 0.47 -0.69 0.00 0.00 174.62 175.35 2ofd n ASP 37 N 4.84 -2.52 -1.32 3.53 8.00 -1.26 -1.01 116.55 126.81 2ofd n ASP 37 Ca -0.14 -0.85 -0.17 0.00 0.71 0.00 0.00 54.79 54.34 2ofd n ASP 37 Cb 0.50 -3.74 -0.07 0.00 -0.02 0.00 0.00 41.12 37.79 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 -2.94 -5.32 -4.58 -2.24 9.92 -1.26 -5.00 116.55 105.14 2ofd n ASP 38 Ca -0.15 0.43 -0.34 0.00 -0.53 0.00 0.00 54.79 54.20 2ofd n ASP 38 Cb 0.61 -4.35 -0.11 0.00 -0.64 0.00 0.00 41.12 36.63 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 -3.45 2.72 -0.19 -1.24 -0.21 -0.18 -4.80 119.66 112.32 2ofd s GLN 39 Ca 0.00 -0.57 -0.24 0.00 0.02 0.00 0.00 55.36 54.57 2ofd s GLN 39 Cb 0.00 -2.57 -0.01 0.00 1.00 0.00 0.00 33.01 31.42 2ofd s GLN 39 CO 0.00 0.66 0.79 -1.01 -2.12 0.00 0.00 175.29 173.61 2ofd s HIS 40 N -0.82 3.39 -0.19 0.91 3.76 -0.72 -1.48 115.29 120.14 2ofd s HIS 40 Ca 0.13 1.16 -0.01 0.00 -0.15 0.00 0.00 55.06 56.19 2ofd s HIS 40 Cb -0.11 -2.98 0.01 0.00 1.11 0.00 0.00 32.58 30.61 2ofd s HIS 40 CO 0.02 -0.26 -0.14 0.08 -0.85 0.00 0.00 174.74 173.59 2ofd s VAL 41 N 2.24 2.60 -0.24 -0.90 1.01 0.43 -0.22 120.40 125.33 2ofd s VAL 41 Ca 0.35 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 2ofd s VAL 41 Cb -0.16 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2ofd s VAL 41 CO 0.11 0.50 0.08 -0.22 0.00 0.00 0.00 175.10 175.57 2ofd s LEU 42 N 1.28 3.60 -0.12 3.92 2.96 0.19 -0.60 118.68 129.92 2ofd s LEU 42 Ca 0.04 -0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.82 2ofd s LEU 42 Cb -0.14 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 2ofd s LEU 42 CO -0.08 0.01 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.01 2ofd s THR 43 N 1.34 3.69 0.06 3.68 2.01 -0.04 -0.56 115.64 125.82 2ofd s THR 43 Ca 0.05 -0.45 0.07 0.00 0.31 0.00 0.00 61.69 61.68 2ofd s THR 43 Cb -0.15 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 2ofd s THR 43 CO 0.04 0.54 -0.20 -0.04 -0.69 0.00 0.00 174.62 174.27 2ofd s MET 44 N -0.07 1.27 0.00 4.92 -1.94 0.47 -1.05 119.30 122.91 2ofd s MET 44 Ca 0.01 -1.00 0.17 0.00 -1.71 0.00 0.00 55.69 53.16 2ofd s MET 44 Cb -0.13 -1.43 0.75 0.00 2.01 0.00 0.00 34.83 36.03 2ofd s MET 44 CO 0.03 0.35 1.55 0.41 -0.01 0.00 0.00 175.02 177.35 2ofd n GLY 45 N 1.61 -1.07 0.00 -0.03 0.00 -0.73 -1.57 105.19 103.39 2ofd n GLY 45 Ca -0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.28 -1.35 3.76 -0.02 0.00 -1.16 -4.35 105.19 102.34 2ofd n GLY 46 Ca 0.05 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.14 7.20 0.00 1.61 0.15 -1.26 -4.36 113.70 113.90 2ofd s SER 47 Ca 0.00 2.32 0.00 0.00 0.70 0.00 0.00 55.95 58.97 2ofd s SER 47 Cb 0.00 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2ofd s SER 47 CO 0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2ofd n GLY 48 N 1.16 1.28 0.05 9.45 0.00 -0.01 -4.69 105.19 112.42 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 -0.37 0.00 -3.80 2.61 5.66 -1.22 -4.62 114.28 112.54 2ofd n THR 49 Ca 0.00 -0.04 -0.04 0.00 -3.05 0.00 0.00 64.05 60.93 2ofd n THR 49 Cb 0.00 0.01 -0.00 0.00 -1.55 0.00 0.00 70.33 68.79 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 -1.04 -0.12 0.01 1.09 1.04 -1.26 -2.42 113.70 111.01 2ofd s SER 50 Ca 0.00 -0.55 -0.04 0.00 0.48 0.00 0.00 55.95 55.85 2ofd s SER 50 Cb 0.00 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 2ofd s SER 50 CO 0.00 -1.01 0.06 -0.83 0.98 0.00 0.00 173.24 172.44 2ofd s GLY 51 N -3.08 0.12 -0.10 7.32 0.00 -0.36 -1.63 107.32 109.59 2ofd s GLY 51 Ca 0.15 -0.28 0.02 0.00 0.00 0.00 0.00 44.72 44.60 2ofd s GLY 51 CO 0.04 -0.38 -0.16 -1.59 0.00 0.00 0.00 173.10 171.02 2ofd s THR 52 N -1.24 2.85 -0.22 0.90 2.01 -0.87 -1.67 115.64 117.41 2ofd s THR 52 Ca -0.13 -0.75 -0.07 0.00 0.31 0.00 0.00 61.69 61.05 2ofd s THR 52 Cb -0.08 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 2ofd s THR 52 CO 0.00 0.55 0.05 -0.76 -0.69 0.00 0.00 174.62 173.77 2ofd s LEU 53 N 0.09 3.49 -0.15 4.42 1.43 -0.03 -1.23 118.68 126.70 2ofd s LEU 53 Ca -0.07 -0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 2ofd s LEU 53 Cb -0.15 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2ofd s LEU 53 CO 0.05 0.04 0.10 -0.60 0.23 0.00 0.00 176.35 176.17 2ofd s ARG 54 N 1.15 3.67 0.07 1.70 3.52 -0.58 -0.54 118.95 127.94 2ofd s ARG 54 Ca 0.04 -0.25 0.09 0.00 -0.13 0.00 0.00 55.73 55.48 2ofd s ARG 54 Cb -0.14 -3.19 -0.03 0.00 -1.56 0.00 0.00 34.95 30.03 2ofd s ARG 54 CO 0.03 0.53 -0.23 -0.06 -0.81 0.00 0.00 175.30 174.76 2ofd s PHE 55 N -0.35 2.41 -0.00 5.12 0.40 -0.35 -0.18 117.98 125.02 2ofd s PHE 55 Ca 0.10 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.10 2ofd s PHE 55 Cb -0.12 -1.38 -0.00 0.00 0.51 0.00 0.00 43.02 42.03 2ofd s PHE 55 CO 0.01 0.23 -0.05 -1.58 0.70 0.00 0.00 175.22 174.53 2ofd s HIS 56 N -0.92 0.43 0.17 0.36 2.46 -0.44 -2.18 115.29 115.17 2ofd s HIS 56 Ca 0.14 -0.08 0.06 0.00 0.47 0.00 0.00 55.06 55.65 2ofd s HIS 56 Cb -0.10 -0.28 -0.04 0.00 -0.13 0.00 0.00 32.58 32.03 2ofd s HIS 56 CO 0.04 -0.01 0.07 0.00 -2.47 0.00 0.00 174.74 172.38 2ofd s ALA 57 N -0.11 3.39 0.53 1.58 0.00 0.14 -1.32 121.76 125.96 2ofd s ALA 57 Ca 0.02 -1.29 0.21 0.00 0.00 0.00 0.00 51.96 50.89 2ofd s ALA 57 Cb -0.02 -1.18 1.34 0.00 0.00 0.00 0.00 23.12 23.26 2ofd s ALA 57 CO -0.00 0.49 2.08 -0.44 0.00 0.00 0.00 175.76 177.88 2ofd h ASP 58 N 2.53 0.00 -0.00 0.00 5.19 -1.88 -1.99 116.42 120.28 2ofd h ASP 58 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 2ofd h ASP 58 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 2ofd h ASP 58 CO 0.61 0.00 0.00 -0.46 -3.12 0.00 0.00 179.24 176.27 2ofd n ASN 59 N -4.45 0.09 0.00 6.45 0.23 -1.26 -4.90 115.26 111.42 2ofd n ASN 59 Ca 0.03 -1.05 0.00 0.00 -0.53 0.00 0.00 54.58 53.03 2ofd n ASN 59 Cb 0.34 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 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 1.00 2.56 3.77 4.83 0.00 -0.75 -5.09 105.19 111.51 2ofd n GLY 60 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.62 3.75 0.14 1.61 2.02 -1.26 -4.82 118.70 119.51 2ofd s GLU 61 Ca 0.00 2.01 -0.22 0.00 0.02 0.00 0.00 54.97 56.79 2ofd s GLU 61 Cb 0.00 -2.54 0.06 0.00 0.10 0.00 0.00 34.13 31.75 2ofd s GLU 61 CO 0.00 -0.63 0.55 -1.54 0.02 0.00 0.00 175.26 173.66 2ofd s SER 62 N -1.02 -0.48 0.18 -0.19 1.04 -1.26 -0.69 113.70 111.28 2ofd s SER 62 Ca 0.62 -0.04 -0.23 0.00 0.48 0.00 0.00 55.95 56.78 2ofd s SER 62 Cb -0.35 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.39 2ofd s SER 62 CO 0.43 -0.91 0.64 0.72 0.98 0.00 0.00 173.24 175.10 2ofd s PHE 63 N -3.57 -0.45 0.04 5.02 -0.71 -0.93 -3.57 117.98 113.82 2ofd s PHE 63 Ca 0.01 0.18 0.06 0.00 -1.04 0.00 0.00 56.93 56.13 2ofd s PHE 63 Cb -0.00 0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 42.37 2ofd s PHE 63 CO -0.11 -0.93 -0.11 0.95 -1.34 0.00 0.00 175.22 173.67 2ofd s THR 64 N -3.77 3.29 -0.15 -4.49 -4.23 0.11 -1.21 115.64 105.19 2ofd s THR 64 Ca 0.04 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 2ofd s THR 64 Cb -0.02 -2.45 0.02 0.00 1.34 0.00 0.00 72.50 71.39 2ofd s THR 64 CO -0.08 0.29 -0.14 0.00 -0.54 0.00 0.00 174.62 174.16 2ofd s ALA 65 N -1.04 1.81 -0.03 3.99 0.00 0.30 -2.10 121.76 124.69 2ofd s ALA 65 Ca 0.18 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.32 2ofd s ALA 65 Cb -0.11 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 2ofd s ALA 65 CO 0.09 -0.38 -0.20 0.99 0.00 0.00 0.00 175.76 176.25 2ofd s THR 66 N 1.50 2.54 -0.01 0.00 2.01 -0.42 -0.85 115.64 120.41 2ofd s THR 66 Ca 0.05 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.14 2ofd s THR 66 Cb -0.13 -1.94 -0.00 0.00 0.01 0.00 0.00 72.50 70.44 2ofd s THR 66 CO -0.10 0.58 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.99 2ofd s PHE 67 N -0.67 0.57 0.00 4.92 0.40 -0.67 -2.11 117.98 120.42 2ofd s PHE 67 Ca 0.11 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.32 2ofd s PHE 67 Cb -0.10 -0.40 0.00 0.00 0.51 0.00 0.00 43.02 43.03 2ofd s PHE 67 CO -0.00 -0.04 0.00 0.41 0.70 0.00 0.00 175.22 176.29 2ofd n GLY 68 N 3.11 1.32 3.02 4.36 0.00 -0.87 -1.22 105.19 114.92 2ofd n GLY 68 Ca -0.15 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.50 1.30 -0.13 1.61 1.01 -1.01 -0.60 120.40 120.08 2ofd s VAL 69 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.46 2ofd s VAL 69 Cb 0.00 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.19 2ofd s VAL 69 CO 0.00 0.40 -0.14 -2.28 0.00 0.00 0.00 175.10 173.08 2ofd s HIS 70 N 0.97 2.02 -1.46 5.22 5.04 0.22 -0.83 115.29 126.47 2ofd s HIS 70 Ca -0.08 -1.05 -0.09 0.00 -1.54 0.00 0.00 55.06 52.30 2ofd s HIS 70 Cb -0.15 -1.49 0.06 0.00 0.04 0.00 0.00 32.58 31.04 2ofd s HIS 70 CO -0.01 -0.57 0.85 -1.71 -2.34 0.00 0.00 174.74 170.96 2ofd n ASN 71 N 4.54 -3.32 -0.08 9.88 4.05 -1.26 -1.94 115.26 127.13 2ofd n ASN 71 Ca -0.17 -0.82 -0.01 0.00 0.45 0.00 0.00 54.58 54.03 2ofd n ASN 71 Cb 0.51 -3.82 -0.00 0.00 1.23 0.00 0.00 39.78 37.69 2ofd n ASN 71 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2ofd n TYR 72 N -4.53 0.00 -4.57 1.20 4.01 -1.26 -4.99 117.16 107.02 2ofd n TYR 72 Ca -0.09 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.40 2ofd n TYR 72 Cb 0.58 -1.07 -0.14 0.00 -0.31 0.00 0.00 39.34 38.41 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 -1.16 1.35 0.60 -0.72 1.02 -0.82 -4.88 119.74 115.13 2ofd s LYS 73 Ca 0.00 -1.01 -0.18 0.00 0.02 0.00 0.00 55.97 54.80 2ofd s LYS 73 Cb 0.00 -1.51 -0.03 0.00 -0.52 0.00 0.00 37.83 35.77 2ofd s LYS 73 CO 0.00 0.38 1.19 -0.98 -0.92 0.00 0.00 175.35 175.02 2ofd s ARG 74 N -1.36 2.94 0.10 1.68 3.03 -1.26 -0.61 118.95 123.46 2ofd s ARG 74 Ca 0.08 1.77 0.00 0.00 2.03 0.00 0.00 55.73 59.61 2ofd s ARG 74 Cb -0.09 -1.93 -0.04 0.00 -1.03 0.00 0.00 34.95 31.86 2ofd s ARG 74 CO 0.02 -1.22 -0.02 1.67 -1.13 0.00 0.00 175.30 174.62 2ofd s TRP 75 N -1.69 0.82 0.12 5.89 1.48 0.23 -3.90 118.94 121.90 2ofd s TRP 75 Ca 0.76 -1.04 -0.14 0.00 -1.06 0.00 0.00 56.10 54.62 2ofd s TRP 75 Cb -0.29 -0.50 0.02 0.00 -1.16 0.00 0.00 33.47 31.54 2ofd s TRP 75 CO 0.34 -0.30 0.35 0.00 -4.06 0.00 0.00 176.95 173.27 2ofd s ASP 77 N -2.83 -0.61 -0.06 0.00 2.15 -0.90 -4.70 116.67 109.72 2ofd s ASP 77 Ca 0.05 0.52 0.03 0.00 0.43 0.00 0.00 52.55 53.57 2ofd s ASP 77 Cb 0.03 0.53 0.01 0.00 -0.30 0.00 0.00 42.92 43.19 2ofd s ASP 77 CO -0.11 -0.67 -0.15 -0.63 -0.17 0.00 0.00 175.17 173.44 2ofd s ILE 78 N -1.82 1.32 -0.14 4.11 1.01 -1.26 -1.30 121.20 123.13 2ofd s ILE 78 Ca -0.07 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 59.99 2ofd s ILE 78 Cb -0.00 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2ofd s ILE 78 CO 0.04 0.39 -0.19 -0.69 0.00 0.00 0.00 174.94 174.49 2ofd s VAL 79 N 0.43 2.34 0.35 2.92 1.01 -0.89 -4.97 120.40 121.59 2ofd s VAL 79 Ca -0.12 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 60.99 2ofd s VAL 79 Cb -0.15 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.31 2ofd s VAL 79 CO 0.04 0.54 0.18 0.35 0.00 0.00 0.00 175.10 176.21 2ofd n THR 80 N 3.92 0.00 -3.68 3.92 -2.24 -1.26 -0.71 114.28 114.22 2ofd n THR 80 Ca -0.19 -1.48 -0.27 0.00 -2.27 0.00 0.00 64.05 59.83 2ofd n THR 80 Cb 0.52 -0.02 0.03 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.67 -5.14 -4.73 3.42 3.02 -1.23 -4.89 115.26 104.04 2ofd n ASN 81 Ca -0.05 -0.63 -0.42 0.00 -0.03 0.00 0.00 54.58 53.45 2ofd n ASN 81 Cb 0.41 -4.11 -0.03 0.00 -0.61 0.00 0.00 39.78 35.45 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 -7.12 4.38 0.80 3.41 1.43 -1.26 -5.02 118.68 115.30 2ofd s LEU 82 Ca 0.58 2.55 -0.11 0.00 -1.03 0.00 0.00 54.13 56.12 2ofd s LEU 82 Cb -0.28 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.40 2ofd s LEU 82 CO 0.71 -0.72 1.09 0.00 0.23 0.00 0.00 176.35 177.67 2ofd s ALA 83 N 0.62 2.13 0.49 4.21 0.00 -1.26 -4.94 121.76 123.01 2ofd s ALA 83 Ca 0.64 0.00 0.16 0.00 0.00 0.00 0.00 51.96 52.76 2ofd s ALA 83 Cb -0.41 -3.18 1.19 0.00 0.00 0.00 0.00 23.12 20.72 2ofd s ALA 83 CO 0.36 -1.82 2.09 0.00 0.00 0.00 0.00 175.76 176.39 2ofd h ALA 84 N -1.16 2.03 -0.32 0.00 0.00 -2.02 -1.72 119.26 116.06 2ofd h ALA 84 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2ofd h ALA 84 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ofd h ALA 84 CO 0.55 -0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.34 2ofd n ASP 85 N -4.50 1.92 -3.93 0.00 5.75 -1.26 -4.48 116.55 110.05 2ofd n ASP 85 Ca 0.01 -1.92 -0.40 0.00 -0.01 0.00 0.00 54.79 52.48 2ofd n ASP 85 Cb 0.19 -0.21 -0.01 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.53 3.94 -1.81 0.11 1.02 -0.65 -4.94 120.64 118.84 2ofd n GLU 86 Ca 0.14 -4.57 -0.29 0.00 -0.02 0.00 0.00 57.16 52.42 2ofd n GLU 86 Cb 0.32 -2.46 0.13 0.00 -0.02 0.00 0.00 31.44 29.41 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 -2.53 1.98 0.30 2.62 -4.23 -1.26 -4.76 115.64 107.76 2ofd s THR 87 Ca 0.32 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.83 2ofd s THR 87 Cb 0.05 -2.93 0.17 0.00 1.34 0.00 0.00 72.50 71.13 2ofd s THR 87 CO 0.06 0.00 1.86 1.23 -0.54 0.00 0.00 174.62 177.22 2ofd h GLY 88 N -1.36 0.86 1.62 3.99 0.00 -1.95 -2.28 103.07 103.94 2ofd h GLY 88 Ca -0.46 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.29 2ofd h GLY 88 CO 0.57 0.44 -0.31 0.00 0.00 0.00 0.00 176.54 177.23 2ofd h MET 89 N 0.78 0.43 0.27 4.80 -0.00 -1.94 0.33 114.93 119.60 2ofd h MET 89 Ca 0.18 -0.18 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 2ofd h MET 89 Cb 0.24 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 2ofd h MET 89 CO -0.01 0.70 -0.13 0.28 -0.00 0.00 0.00 176.91 177.76 2ofd h VAL 90 N 0.37 0.78 -0.39 -0.10 2.07 -1.83 -2.80 116.25 114.35 2ofd h VAL 90 Ca 0.05 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.30 2ofd h VAL 90 Cb 0.74 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2ofd h VAL 90 CO 0.06 0.06 0.21 0.40 0.02 0.00 0.00 177.57 178.32 2ofd h ILE 91 N -0.51 1.00 -0.69 4.57 1.08 -1.24 -2.55 117.51 119.17 2ofd h ILE 91 Ca -0.04 -0.14 0.07 0.00 -0.39 0.00 0.00 64.86 64.36 2ofd h ILE 91 Cb 0.38 0.54 -0.06 0.00 -3.07 0.00 0.00 36.82 34.61 2ofd h ILE 91 CO 0.06 0.08 0.37 -1.13 -0.69 0.00 0.00 178.15 176.84 2ofd h ASN 92 N 0.42 0.54 0.04 1.72 -0.73 -0.95 -2.44 115.58 114.17 2ofd h ASN 92 Ca 0.16 0.04 -0.11 0.00 1.87 0.00 0.00 56.30 58.26 2ofd h ASN 92 Cb 0.05 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 2ofd h ASN 92 CO -0.10 0.33 -0.34 -0.61 -0.37 0.00 0.00 177.43 176.35 2ofd h GLN 93 N 0.67 0.43 -0.12 6.67 4.15 -1.32 -3.07 115.11 122.52 2ofd h GLN 93 Ca 0.32 -0.19 0.03 0.00 0.77 0.00 0.00 58.65 59.59 2ofd h GLN 93 Cb 0.25 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 2ofd h GLN 93 CO -0.21 0.71 0.11 1.96 -1.93 0.00 0.00 178.83 179.47 2ofd h GLN 94 N 0.37 0.00 0.00 1.69 4.20 -1.01 -0.90 115.11 119.46 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 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 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 -4.10 0.06 -0.12 2.96 4.01 -1.16 -0.49 117.16 118.33 2ofd n TYR 95 Ca -0.00 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2ofd n TYR 95 Cb 0.22 -0.54 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 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 -1.56 0.00 0.00 -0.72 4.01 -0.35 -3.89 117.16 114.65 2ofd n TYR 96 Ca 0.02 -0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 2ofd n TYR 96 Cb 0.09 -0.03 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 -0.29 0.91 -4.56 7.72 7.64 -1.01 -5.07 113.62 118.96 2ofd n SER 97 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 2ofd n SER 97 Cb 0.20 0.06 -0.11 0.00 -1.01 0.00 0.00 64.21 63.35 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 -1.20 3.86 0.18 1.43 0.74 0.36 -5.02 119.66 120.01 2ofd s GLN 98 Ca 0.00 -0.39 -0.14 0.00 0.05 0.00 0.00 55.36 54.88 2ofd s GLN 98 Cb 0.00 -3.35 0.15 0.00 1.10 0.00 0.00 33.01 30.90 2ofd s GLN 98 CO 0.00 0.01 1.72 -0.22 -0.55 0.00 0.00 175.29 176.25 2ofd h LYS 99 N 7.61 0.23 -0.58 1.67 1.63 -1.97 -0.20 116.57 124.96 2ofd h LYS 99 Ca -0.37 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.37 2ofd h LYS 99 Cb 1.17 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.73 2ofd h LYS 99 CO 0.62 0.15 0.18 -2.95 -3.45 0.00 0.00 179.45 174.00 2ofd h ASN 100 N 0.24 0.80 -0.26 4.20 -1.07 -1.95 -1.62 115.58 115.92 2ofd h ASN 100 Ca 0.22 -0.13 -0.20 0.00 0.07 0.00 0.00 56.30 56.27 2ofd h ASN 100 Cb 0.27 -0.21 0.00 0.00 -2.07 0.00 0.00 38.32 36.32 2ofd h ASN 100 CO -0.28 0.76 -0.60 0.03 0.07 0.00 0.00 177.43 177.41 2ofd h ARG 101 N 0.84 0.87 -0.57 4.14 3.08 -1.66 -2.63 114.38 118.45 2ofd h ARG 101 Ca 0.19 -0.58 0.09 0.00 0.07 0.00 0.00 59.98 59.75 2ofd h ARG 101 Cb 0.25 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.31 2ofd h ARG 101 CO -0.01 1.21 0.18 0.93 -1.07 0.00 0.00 179.97 181.22 2ofd h GLU 102 N 0.65 0.34 -0.48 0.04 5.08 -0.71 -2.15 114.58 117.34 2ofd h GLU 102 Ca -0.00 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2ofd h GLU 102 Cb 1.22 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 2ofd h GLU 102 CO 0.13 0.22 0.02 0.93 -1.00 0.00 0.00 179.01 179.31 2ofd h GLU 103 N 0.35 0.78 -0.92 2.33 5.08 -1.26 -1.05 114.58 119.89 2ofd h GLU 103 Ca 0.29 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2ofd h GLU 103 Cb 0.37 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2ofd h GLU 103 CO -0.32 0.78 0.60 0.00 -1.00 0.00 0.00 179.01 179.07 2ofd h ALA 104 N 1.29 1.20 -0.15 3.43 0.00 -1.05 -2.46 119.26 121.52 2ofd h ALA 104 Ca 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2ofd h ALA 104 Cb 0.42 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ofd h ALA 104 CO 0.02 0.49 -0.06 -0.09 0.00 0.00 0.00 179.25 179.61 2ofd h ARG 105 N 1.18 0.31 0.00 0.00 2.43 -0.92 -3.26 114.38 114.12 2ofd h ARG 105 Ca 0.36 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 2ofd h ARG 105 Cb -0.04 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2ofd h ARG 105 CO -0.11 0.61 -0.05 0.93 -1.51 0.00 0.00 179.97 179.84 2ofd h GLU 106 N -0.01 0.00 0.00 0.20 5.08 -0.99 -1.97 114.58 116.89 2ofd h GLU 106 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2ofd h GLU 106 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2ofd h GLU 106 CO 0.02 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.08 2ofd h ARG 107 N 0.00 0.00 -6.21 2.33 3.08 -1.48 -3.47 114.38 108.63 2ofd h ARG 107 Ca -0.00 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.61 2ofd h ARG 107 Cb 0.22 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.29 2ofd h ARG 107 CO 0.01 0.00 -0.84 1.04 -1.07 0.00 0.00 179.97 179.10 2ofd n GLN 108 N -2.79 -4.47 -2.50 0.04 6.02 -0.74 -4.91 117.38 108.03 2ofd n GLN 108 Ca -0.01 0.56 -0.41 0.00 -0.01 0.00 0.00 57.00 57.13 2ofd n GLN 108 Cb 0.13 -5.01 -0.04 0.00 1.02 0.00 0.00 30.24 26.34 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 -6.78 4.49 0.00 1.08 1.43 -1.25 -4.72 118.68 112.93 2ofd s LEU 109 Ca 0.03 2.11 0.26 0.00 -1.03 0.00 0.00 54.13 55.50 2ofd s LEU 109 Cb -0.02 -3.61 0.61 0.00 0.03 0.00 0.00 46.19 43.20 2ofd s LEU 109 CO 0.83 -0.22 1.49 -1.54 0.23 0.00 0.00 176.35 177.14 2ofd n SER 110 N 2.27 2.08 -3.64 2.29 3.41 -1.26 -3.12 113.62 115.65 2ofd n SER 110 Ca 0.02 -1.64 -0.13 0.00 -0.26 0.00 0.00 58.87 56.87 2ofd n SER 110 Cb 0.46 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.39 2ofd n SER 110 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2ofd s ASN 111 N -2.08 -0.73 -0.25 4.04 3.84 -1.26 -1.14 114.94 117.35 2ofd s ASN 111 Ca 0.31 1.38 -0.20 0.00 0.21 0.00 0.00 52.86 54.56 2ofd s ASN 111 Cb 0.20 1.37 0.07 0.00 -0.55 0.00 0.00 41.25 42.35 2ofd s ASN 111 CO 0.36 -0.24 0.66 -0.47 -2.79 0.00 0.00 177.10 174.62 2ofd s TYR 112 N 0.54 -0.84 0.09 0.43 5.04 -0.65 -5.02 117.35 116.94 2ofd s TYR 112 Ca -0.01 1.87 0.03 0.00 -2.44 0.00 0.00 57.07 56.51 2ofd s TYR 112 Cb -0.05 0.38 -0.04 0.00 0.35 0.00 0.00 41.96 42.61 2ofd s TYR 112 CO -0.02 -0.41 -0.08 -1.83 -1.34 0.00 0.00 175.55 171.87 2ofd s GLU 113 N 0.86 0.77 -0.04 4.97 -1.05 -1.26 -0.80 118.70 122.15 2ofd s GLU 113 Ca -0.04 -1.14 -0.30 0.00 -0.15 0.00 0.00 54.97 53.34 2ofd s GLU 113 Cb -0.05 -0.35 0.08 0.00 -0.44 0.00 0.00 34.13 33.36 2ofd s GLU 113 CO -0.07 0.04 0.72 0.54 0.95 0.00 0.00 175.26 177.44 2ofd s VAL 114 N -2.67 0.00 0.08 1.83 0.11 -0.73 -5.00 120.40 114.02 2ofd s VAL 114 Ca 0.05 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.13 2ofd s VAL 114 Cb -0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 2ofd s VAL 114 CO -0.02 0.00 0.06 -0.54 -3.33 0.00 0.00 175.10 171.27 2ofd s LYS 115 N -1.55 2.81 0.76 1.54 1.02 -1.26 -1.26 119.74 121.80 2ofd s LYS 115 Ca -0.08 -0.71 -0.02 0.00 0.02 0.00 0.00 55.97 55.18 2ofd s LYS 115 Cb -0.00 -2.69 0.15 0.00 -0.52 0.00 0.00 37.83 34.77 2ofd s LYS 115 CO 0.05 0.56 1.05 0.54 -0.92 0.00 0.00 175.35 176.64 2ofd s ASN 116 N -2.33 4.10 0.54 2.83 2.20 -0.65 -4.94 114.94 116.68 2ofd s ASN 116 Ca 0.28 -0.43 0.21 0.00 -0.94 0.00 0.00 52.86 51.98 2ofd s ASN 116 Cb -0.12 0.17 1.41 0.00 -2.00 0.00 0.00 41.25 40.70 2ofd s ASN 116 CO 0.21 -2.05 2.12 0.00 -2.94 0.00 0.00 177.10 174.44 2ofd h ALA 117 N -0.69 2.05 -0.00 3.54 0.00 -1.97 0.02 119.26 122.20 2ofd h ALA 117 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2ofd h ALA 117 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ofd h ALA 117 CO 0.37 -0.19 -0.06 1.63 0.00 0.00 0.00 179.25 181.00 2ofd n LYS 118 N -4.34 0.36 -0.33 0.00 5.02 -1.26 -4.92 118.16 112.69 2ofd n LYS 118 Ca 0.01 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2ofd n LYS 118 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 1.35 0.73 3.73 0.72 0.00 -0.01 -5.06 105.19 106.65 2ofd n GLY 119 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 4.47 0.16 1.61 3.52 -1.26 -4.79 118.95 122.00 2ofd s ARG 120 Ca 0.00 1.85 -0.16 0.00 -0.13 0.00 0.00 55.73 57.29 2ofd s ARG 120 Cb 0.00 -3.27 -0.07 0.00 -1.56 0.00 0.00 34.95 30.05 2ofd s ARG 120 CO 0.00 -0.14 0.59 1.21 -0.81 0.00 0.00 175.30 176.15 2ofd s ASN 121 N 0.40 6.88 -0.01 -2.12 2.47 -1.26 -1.64 114.94 119.65 2ofd s ASN 121 Ca 0.55 1.16 0.03 0.00 0.42 0.00 0.00 52.86 55.01 2ofd s ASN 121 Cb -0.32 -2.32 -0.00 0.00 -1.45 0.00 0.00 41.25 37.16 2ofd s ASN 121 CO 0.34 0.09 -0.09 -0.36 -3.72 0.00 0.00 177.10 173.36 2ofd s PHE 122 N -1.48 0.82 -0.00 0.43 0.40 -0.39 0.08 117.98 117.83 2ofd s PHE 122 Ca 0.39 -0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.56 2ofd s PHE 122 Cb -0.15 -0.55 0.00 0.00 0.51 0.00 0.00 43.02 42.83 2ofd s PHE 122 CO 0.20 -0.04 -0.02 -2.00 0.70 0.00 0.00 175.22 174.06 2ofd s GLU 123 N -0.06 0.16 -0.13 0.44 2.12 -0.18 -1.77 118.70 119.28 2ofd s GLU 123 Ca 0.01 -0.06 -0.02 0.00 0.36 0.00 0.00 54.97 55.26 2ofd s GLU 123 Cb -0.05 -0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.14 2ofd s GLU 123 CO -0.00 0.03 -0.06 0.42 -0.54 0.00 0.00 175.26 175.11 2ofd s ILE 124 N 0.04 3.73 -0.03 -3.70 1.01 0.02 -0.42 121.20 121.84 2ofd s ILE 124 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 2ofd s ILE 124 Cb -0.02 -2.60 0.03 0.00 0.01 0.00 0.00 42.46 39.88 2ofd s ILE 124 CO -0.00 0.52 0.03 0.54 0.00 0.00 0.00 174.94 176.03 2ofd s VAL 125 N 0.11 0.02 -0.26 2.92 0.11 -0.23 -1.64 120.40 121.43 2ofd s VAL 125 Ca -0.02 0.24 -0.27 0.00 -2.93 0.00 0.00 61.98 59.00 2ofd s VAL 125 Cb -0.14 -0.19 0.01 0.00 -1.53 0.00 0.00 36.38 34.53 2ofd s VAL 125 CO 0.03 0.15 0.96 -0.31 -3.33 0.00 0.00 175.10 172.59 2ofd s TYR 126 N 1.47 3.28 -0.54 1.54 1.51 -0.29 0.11 117.35 124.43 2ofd s TYR 126 Ca -0.04 1.25 0.23 0.00 -1.01 0.00 0.00 57.07 57.50 2ofd s TYR 126 Cb -0.13 -3.28 0.18 0.00 -0.11 0.00 0.00 41.96 38.62 2ofd s TYR 126 CO -0.03 -0.52 1.17 0.25 -1.11 0.00 0.00 175.55 175.31 2ofd n THR 127 N 5.43 0.35 -3.77 -0.71 -2.24 0.12 -4.48 114.28 108.98 2ofd n THR 127 Ca 0.09 -0.32 -0.29 0.00 -2.27 0.00 0.00 64.05 61.26 2ofd n THR 127 Cb 0.47 -0.07 -0.16 0.00 -2.10 0.00 0.00 70.33 68.47 2ofd n THR 127 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2ofd s GLU 128 N -3.22 0.84 0.00 -0.78 2.56 -1.03 -4.97 118.70 112.10 2ofd s GLU 128 Ca 0.04 -0.89 0.13 0.00 0.00 0.00 0.00 54.97 54.25 2ofd s GLU 128 Cb 0.13 -2.13 0.36 0.00 2.00 0.00 0.00 34.13 34.48 2ofd s GLU 128 CO 0.76 -0.83 1.29 0.00 -0.56 0.00 0.00 175.26 175.93 2ofd n ALA 129 N 4.87 2.21 -2.56 6.30 0.00 -1.26 -1.73 120.51 128.34 2ofd n ALA 129 Ca -0.05 -1.16 -0.21 0.00 0.00 0.00 0.00 53.44 52.01 2ofd n ALA 129 Cb 0.44 -0.51 -0.12 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.00 1.05 1.67 0.00 2.02 -1.26 -4.69 118.70 116.50 2ofd s GLU 130 Ca 0.27 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 54.10 2ofd s GLU 130 Cb 0.14 -1.15 0.00 0.00 0.10 0.00 0.00 34.13 33.22 2ofd s GLU 130 CO 0.19 0.25 0.00 0.41 0.02 0.00 0.00 175.26 176.13 2ofd n GLY 131 N 0.91 -1.64 0.12 -1.39 0.00 -1.26 -4.46 105.19 97.47 2ofd n GLY 131 Ca -0.18 -1.38 0.11 0.00 0.00 0.00 0.00 46.02 44.56 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 0.18 1.14 -4.01 1.61 4.13 -1.26 -4.69 115.26 112.36 2ofd n ASN 132 Ca 0.00 -0.99 -0.33 0.00 1.68 0.00 0.00 54.58 54.94 2ofd n ASN 132 Cb 0.00 0.73 -0.12 0.00 -1.54 0.00 0.00 39.78 38.85 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 -2.86 4.74 0.01 6.41 3.68 -1.26 -1.02 116.67 126.37 2ofd s ASP 133 Ca 0.12 -3.00 -0.00 0.00 2.13 0.00 0.00 52.55 51.80 2ofd s ASP 133 Cb 0.17 -1.74 -0.04 0.00 -1.45 0.00 0.00 42.92 39.86 2ofd s ASP 133 CO 0.76 -0.28 0.10 -0.76 0.13 0.00 0.00 175.17 175.13 2ofd s LEU 134 N -0.27 3.98 -0.04 -1.34 1.43 0.02 -4.89 118.68 117.58 2ofd s LEU 134 Ca 0.17 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 2ofd s LEU 134 Cb -0.23 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 43.61 2ofd s LEU 134 CO -0.02 0.25 -0.07 -1.00 0.23 0.00 0.00 176.35 175.74 2ofd s HIS 135 N -1.26 0.89 0.02 0.29 3.76 -0.71 -1.06 115.29 117.23 2ofd s HIS 135 Ca 0.25 -0.25 0.01 0.00 -0.15 0.00 0.00 55.06 54.92 2ofd s HIS 135 Cb -0.12 -0.69 -0.02 0.00 1.11 0.00 0.00 32.58 32.86 2ofd s HIS 135 CO 0.17 -0.15 -0.04 0.00 -0.85 0.00 0.00 174.74 173.87 2ofd s ALA 136 N 0.51 0.22 -0.12 -1.40 0.00 0.11 -0.70 121.76 120.39 2ofd s ALA 136 Ca -0.08 -0.55 -0.05 0.00 0.00 0.00 0.00 51.96 51.28 2ofd s ALA 136 Cb -0.11 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 2ofd s ALA 136 CO 0.01 -0.10 0.07 -0.80 0.00 0.00 0.00 175.76 174.94 2ofd s ASN 137 N -1.27 5.83 -0.29 0.00 0.01 0.12 -1.15 114.94 118.19 2ofd s ASN 137 Ca -0.12 0.28 -0.06 0.00 -0.71 0.00 0.00 52.86 52.25 2ofd s ASN 137 Cb -0.09 -1.82 0.01 0.00 0.41 0.00 0.00 41.25 39.76 2ofd s ASN 137 CO -0.01 0.36 0.07 -0.22 -1.51 0.00 0.00 177.10 175.80 2ofd s LEU 138 N -0.74 3.80 -0.21 0.60 2.96 0.11 -1.07 118.68 124.13 2ofd s LEU 138 Ca 0.12 -0.71 -0.04 0.00 -0.22 0.00 0.00 54.13 53.29 2ofd s LEU 138 Cb -0.12 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 2ofd s LEU 138 CO 0.03 -0.19 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.19 2ofd s ILE 139 N 1.49 3.37 -0.21 6.68 1.01 0.44 -0.44 121.20 133.54 2ofd s ILE 139 Ca 0.02 -0.50 -0.09 0.00 0.00 0.00 0.00 60.65 60.09 2ofd s ILE 139 Cb -0.17 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 2ofd s ILE 139 CO 0.02 0.43 0.10 -0.63 0.00 0.00 0.00 174.94 174.87 2ofd s ILE 140 N 1.35 4.96 -2.43 2.92 1.01 -0.04 -1.01 121.20 127.96 2ofd s ILE 140 Ca 0.04 0.04 0.29 0.00 0.00 0.00 0.00 60.65 61.01 2ofd s ILE 140 Cb -0.14 -3.28 0.60 0.00 0.01 0.00 0.00 42.46 39.65 2ofd s ILE 140 CO -0.02 0.40 1.82 0.61 0.00 0.00 0.00 174.94 177.74