#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ofc s TYR 2 N 0.00 1.89 -0.02 1.09 1.51 -0.86 -4.86 117.35 116.09 2ofc s TYR 2 Ca 0.00 -0.38 0.05 0.00 -1.01 0.00 0.00 57.07 55.74 2ofc s TYR 2 Cb 0.00 -1.14 -0.01 0.00 -0.11 0.00 0.00 41.96 40.70 2ofc s TYR 2 CO 0.00 0.07 -0.18 0.21 -1.11 0.00 0.00 175.55 174.54 2ofc s LYS 3 N -1.05 1.60 -0.15 -0.62 2.20 -0.36 -0.50 119.74 120.87 2ofc s LYS 3 Ca 0.08 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.04 2ofc s LYS 3 Cb -0.09 -1.49 0.03 0.00 -1.51 0.00 0.00 37.83 34.77 2ofc s LYS 3 CO 0.01 0.35 -0.10 0.42 -0.36 0.00 0.00 175.35 175.67 2ofc s ILE 4 N -0.29 1.34 -0.25 5.43 1.01 0.37 -0.68 121.20 128.14 2ofc s ILE 4 Ca 0.04 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 60.04 2ofc s ILE 4 Cb -0.09 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 2ofc s ILE 4 CO 0.00 0.35 0.09 -0.89 0.00 0.00 0.00 174.94 174.49 2ofc s THR 5 N 1.57 4.51 -0.17 2.92 2.01 0.02 -0.63 115.64 125.87 2ofc s THR 5 Ca 0.04 -0.11 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 2ofc s THR 5 Cb -0.13 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 2ofc s THR 5 CO -0.09 0.34 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.39 2ofc s VAL 6 N 1.52 3.21 -0.18 3.82 1.01 0.81 -0.82 120.40 129.77 2ofc s VAL 6 Ca 0.06 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 2ofc s VAL 6 Cb -0.15 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 2ofc s VAL 6 CO 0.05 0.49 0.01 -0.13 0.00 0.00 0.00 175.10 175.51 2ofc s ARG 7 N 0.78 3.76 -0.23 2.72 0.52 -0.38 -1.30 118.95 124.82 2ofc s ARG 7 Ca -0.04 -0.46 -0.09 0.00 -0.52 0.00 0.00 55.73 54.62 2ofc s ARG 7 Cb -0.15 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 2ofc s ARG 7 CO 0.01 0.19 0.12 0.08 0.02 0.00 0.00 175.30 175.72 2ofc s VAL 8 N 0.54 4.97 -0.21 3.52 1.01 -1.26 -0.54 120.40 128.43 2ofc s VAL 8 Ca -0.00 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 2ofc s VAL 8 Cb -0.14 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2ofc s VAL 8 CO 0.02 0.36 -0.02 -0.31 0.00 0.00 0.00 175.10 175.14 2ofc s TYR 9 N 1.13 2.99 -0.20 5.22 1.51 0.43 -4.97 117.35 123.45 2ofc s TYR 9 Ca 0.06 -0.73 -0.04 0.00 -1.01 0.00 0.00 57.07 55.35 2ofc s TYR 9 Cb -0.14 -2.10 -0.02 0.00 -0.11 0.00 0.00 41.96 39.59 2ofc s TYR 9 CO 0.04 -0.42 -0.04 -0.65 -1.11 0.00 0.00 175.55 173.37 2ofc s GLN 10 N 1.31 3.48 0.00 -0.62 -0.21 -1.26 -0.70 119.66 121.66 2ofc s GLN 10 Ca 0.04 -0.59 0.08 0.00 0.02 0.00 0.00 55.36 54.91 2ofc s GLN 10 Cb -0.14 -2.97 -0.08 0.00 1.00 0.00 0.00 33.01 30.81 2ofc s GLN 10 CO -0.01 -0.03 0.38 0.25 -2.12 0.00 0.00 175.29 173.76 2ofc n THR 11 N 4.33 0.00 -4.00 -0.19 -2.24 -0.91 -4.96 114.28 106.32 2ofc n THR 11 Ca -0.18 -0.32 -0.31 0.00 -2.27 0.00 0.00 64.05 60.98 2ofc n THR 11 Cb 0.52 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.60 2ofc n THR 11 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2ofc s ASN 12 N -1.72 3.85 0.00 3.42 3.84 -1.26 -5.00 114.94 118.07 2ofc s ASN 12 Ca 0.04 -1.13 0.17 0.00 0.21 0.00 0.00 52.86 52.15 2ofc s ASN 12 Cb 0.06 -1.31 0.98 0.00 -0.55 0.00 0.00 41.25 40.44 2ofc s ASN 12 CO 0.33 -0.19 1.47 -2.65 -2.79 0.00 0.00 177.10 173.26 2ofc n PRO 13 N 4.61 0.44 0.00 0.43 -0.02 -1.26 -2.81 135.00 136.38 2ofc n PRO 13 Ca -0.14 0.05 0.12 0.00 -2.02 0.00 0.00 63.50 61.51 2ofc n PRO 13 Cb 0.44 -1.50 0.70 0.00 -0.02 0.00 0.00 33.50 33.12 2ofc n PRO 13 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2ofc n ASN 14 N -1.10 0.00 -3.72 2.55 0.23 -1.26 -4.80 115.26 107.16 2ofc n ASN 14 Ca 0.11 -0.61 -0.10 0.00 -0.53 0.00 0.00 54.58 53.45 2ofc n ASN 14 Cb 0.09 -0.06 -0.04 0.00 -2.08 0.00 0.00 39.78 37.68 2ofc n ASN 14 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ofc s ALA 15 N -2.12 -0.86 -0.11 -2.53 0.00 -1.13 -5.00 121.76 110.01 2ofc s ALA 15 Ca 0.34 -0.21 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 2ofc s ALA 15 Cb 0.17 0.81 0.04 0.00 0.00 0.00 0.00 23.12 24.14 2ofc s ALA 15 CO 0.30 -0.74 0.05 0.12 0.00 0.00 0.00 175.76 175.49 2ofc s PHE 16 N -3.86 0.36 0.13 0.00 5.36 -1.26 -4.84 117.98 113.86 2ofc s PHE 16 Ca 0.08 -0.15 -0.05 0.00 -0.96 0.00 0.00 56.93 55.85 2ofc s PHE 16 Cb 0.00 -0.68 -0.06 0.00 -0.34 0.00 0.00 43.02 41.94 2ofc s PHE 16 CO -0.06 -0.37 0.37 -0.06 -1.46 0.00 0.00 175.22 173.64 2ofc s PHE 17 N 2.08 3.49 0.04 10.12 0.40 -1.26 -3.81 117.98 129.03 2ofc s PHE 17 Ca 0.03 0.57 -0.09 0.00 -0.60 0.00 0.00 56.93 56.84 2ofc s PHE 17 Cb -0.14 -2.01 0.00 0.00 0.51 0.00 0.00 43.02 41.38 2ofc s PHE 17 CO -0.06 0.45 0.18 -3.38 0.70 0.00 0.00 175.22 173.11 2ofc s HIS 18 N -1.62 0.07 0.23 0.36 -3.43 -0.42 -4.94 115.29 105.54 2ofc s HIS 18 Ca 0.40 -0.28 -0.30 0.00 -0.80 0.00 0.00 55.06 54.07 2ofc s HIS 18 Cb -0.12 -0.04 -0.09 0.00 -1.43 0.00 0.00 32.58 30.90 2ofc s HIS 18 CO 0.24 -0.42 1.13 -1.25 -2.00 0.00 0.00 174.74 172.44 2ofc s PRO 19 N -2.49 4.59 0.00 -0.38 0.04 -1.26 -1.60 135.00 133.90 2ofc s PRO 19 Ca -0.06 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2ofc s PRO 19 Cb -0.01 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2ofc s PRO 19 CO -0.04 0.09 0.33 1.33 0.04 0.00 0.00 177.00 178.76 2ofc n VAL 20 N 1.84 0.00 -3.61 -0.36 0.24 0.47 -4.93 118.33 111.98 2ofc n VAL 20 Ca 0.01 -0.36 -0.11 0.00 -2.04 0.00 0.00 64.34 61.85 2ofc n VAL 20 Cb 0.45 1.27 -0.06 0.00 -1.47 0.00 0.00 33.84 34.02 2ofc n VAL 20 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2ofc s GLU 21 N -0.05 0.61 -0.13 7.34 2.12 -1.20 -4.97 118.70 122.41 2ofc s GLU 21 Ca 0.00 0.49 -0.04 0.00 0.36 0.00 0.00 54.97 55.78 2ofc s GLU 21 Cb 0.00 0.30 0.07 0.00 0.26 0.00 0.00 34.13 34.75 2ofc s GLU 21 CO 0.00 -0.12 0.20 -1.59 -0.54 0.00 0.00 175.26 173.21 2ofc s LYS 22 N -0.23 0.11 0.24 4.30 -2.85 -1.26 -1.53 119.74 118.51 2ofc s LYS 22 Ca 0.00 0.47 0.11 0.00 -1.00 0.00 0.00 55.97 55.55 2ofc s LYS 22 Cb -0.03 -0.58 -0.05 0.00 -2.06 0.00 0.00 37.83 35.11 2ofc s LYS 22 CO -0.02 -0.43 -0.19 0.95 0.10 0.00 0.00 175.35 175.76 2ofc s THR 23 N 2.32 2.55 -0.07 3.79 -4.23 -0.20 -4.97 115.64 114.84 2ofc s THR 23 Ca 0.04 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 2ofc s THR 23 Cb -0.13 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 71.44 2ofc s THR 23 CO -0.08 -0.28 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.98 2ofc s VAL 24 N -2.14 0.67 0.60 2.29 1.01 -1.26 -1.86 120.40 119.71 2ofc s VAL 24 Ca 0.26 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 2ofc s VAL 24 Cb -0.06 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 2ofc s VAL 24 CO 0.13 0.28 1.06 0.86 0.00 0.00 0.00 175.10 177.44 2ofc s TRP 25 N 1.37 2.99 -0.72 5.22 -0.11 -0.30 -4.95 118.94 122.44 2ofc s TRP 25 Ca -0.03 1.51 0.26 0.00 1.22 0.00 0.00 56.10 59.05 2ofc s TRP 25 Cb -0.13 -3.01 0.70 0.00 -1.50 0.00 0.00 33.47 29.53 2ofc s TRP 25 CO -0.03 -1.13 1.66 0.36 -4.62 0.00 0.00 176.95 173.19 2ofc n LYS 26 N -2.08 0.26 -1.21 5.86 2.85 -1.26 -4.25 118.16 118.33 2ofc n LYS 26 Ca 0.09 0.17 -0.29 0.00 -1.05 0.00 0.00 58.31 57.23 2ofc n LYS 26 Cb 0.53 -1.76 0.15 0.00 -0.65 0.00 0.00 35.03 33.29 2ofc n LYS 26 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2ofc s TYR 27 N -3.11 2.28 -1.46 5.58 2.02 -1.26 -3.68 117.35 117.71 2ofc s TYR 27 Ca 0.10 1.18 -0.10 0.00 -0.37 0.00 0.00 57.07 57.88 2ofc s TYR 27 Cb 0.13 -3.19 0.05 0.00 -0.40 0.00 0.00 41.96 38.55 2ofc s TYR 27 CO 0.63 -2.49 0.85 0.00 -1.57 0.00 0.00 175.55 172.96 2ofc n ALA 28 N -3.94 -1.17 -1.74 3.71 0.00 -1.26 -0.81 120.51 115.29 2ofc n ALA 28 Ca 0.07 0.25 -0.16 0.00 0.00 0.00 0.00 53.44 53.59 2ofc n ALA 28 Cb 0.56 -4.28 -0.05 0.00 0.00 0.00 0.00 19.45 15.68 2ofc n ALA 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ofc n ASN 29 N -2.70 -4.93 0.00 0.00 3.02 -1.26 -2.80 115.26 106.59 2ofc n ASN 29 Ca -0.01 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2ofc n ASN 29 Cb 0.56 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 2ofc n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ofc n GLY 30 N -0.99 2.05 0.00 7.41 0.00 0.01 -4.49 105.19 109.18 2ofc n GLY 30 Ca -0.17 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2ofc n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ofc n GLY 31 N 0.00 -1.19 3.32 -0.02 0.00 -1.26 -1.34 105.19 104.70 2ofc n GLY 31 Ca 0.00 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 2ofc n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ofc s THR 32 N -3.00 0.00 -0.15 2.61 -4.23 0.21 -4.97 115.64 106.11 2ofc s THR 32 Ca 0.00 -0.02 -0.08 0.00 -1.18 0.00 0.00 61.69 60.41 2ofc s THR 32 Cb 0.00 -0.61 -0.04 0.00 1.34 0.00 0.00 72.50 73.19 2ofc s THR 32 CO 0.00 -0.01 0.13 0.26 -0.54 0.00 0.00 174.62 174.46 2ofc s TRP 33 N 0.15 3.49 0.33 3.99 0.52 -1.26 -0.95 118.94 125.21 2ofc s TRP 33 Ca -0.01 0.42 0.06 0.00 0.02 0.00 0.00 56.10 56.59 2ofc s TRP 33 Cb -0.03 -2.03 -0.03 0.00 -1.15 0.00 0.00 33.47 30.23 2ofc s TRP 33 CO 0.01 0.53 0.23 0.95 0.02 0.00 0.00 176.95 178.69 2ofc s THR 34 N -0.41 0.11 -0.06 2.01 -4.23 0.19 -4.96 115.64 108.28 2ofc s THR 34 Ca 0.12 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.66 2ofc s THR 34 Cb -0.12 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.26 2ofc s THR 34 CO 0.01 0.00 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.30 2ofc s ILE 35 N -3.49 1.40 -0.04 2.99 1.01 -1.26 -0.65 121.20 121.17 2ofc s ILE 35 Ca 0.37 -0.65 -0.00 0.00 0.00 0.00 0.00 60.65 60.37 2ofc s ILE 35 Cb 0.03 -1.23 0.03 0.00 0.01 0.00 0.00 42.46 41.29 2ofc s ILE 35 CO 0.23 0.41 0.02 -0.89 0.00 0.00 0.00 174.94 174.71 2ofc s THR 36 N 0.41 0.11 -1.54 2.92 2.01 -0.60 -4.87 115.64 114.08 2ofc s THR 36 Ca -0.12 0.17 -0.13 0.00 0.31 0.00 0.00 61.69 61.92 2ofc s THR 36 Cb -0.15 -0.25 0.09 0.00 0.01 0.00 0.00 72.50 72.20 2ofc s THR 36 CO 0.04 0.16 0.90 0.47 -0.69 0.00 0.00 174.62 175.50 2ofc n ASP 37 N 4.48 -4.04 0.00 3.53 8.00 -1.26 -0.83 116.55 126.43 2ofc n ASP 37 Ca -0.20 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.46 2ofc n ASP 37 Cb 0.50 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 37.95 2ofc n ASP 37 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ofc n ASP 38 N -2.83 -4.61 -4.86 -2.24 8.00 -1.26 -5.00 116.55 103.76 2ofc n ASP 38 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 2ofc n ASP 38 Cb 0.54 -2.18 -0.06 0.00 -0.02 0.00 0.00 41.12 39.40 2ofc n ASP 38 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2ofc s GLN 39 N -1.12 3.36 -0.27 -1.24 -0.21 -0.01 -4.80 119.66 115.37 2ofc s GLN 39 Ca 0.00 -0.24 -0.20 0.00 0.02 0.00 0.00 55.36 54.94 2ofc s GLN 39 Cb 0.00 -3.10 -0.02 0.00 1.00 0.00 0.00 33.01 30.90 2ofc s GLN 39 CO 0.00 0.73 0.61 -1.01 -2.12 0.00 0.00 175.29 173.50 2ofc s HIS 40 N -1.11 3.26 -0.21 0.91 3.76 -0.42 -1.55 115.29 119.93 2ofc s HIS 40 Ca 0.19 0.72 -0.02 0.00 -0.15 0.00 0.00 55.06 55.81 2ofc s HIS 40 Cb -0.12 -2.86 0.01 0.00 1.11 0.00 0.00 32.58 30.72 2ofc s HIS 40 CO 0.09 -0.36 -0.11 0.08 -0.85 0.00 0.00 174.74 173.59 2ofc s VAL 41 N 2.50 2.79 -0.27 -0.90 1.01 0.18 -0.14 120.40 125.56 2ofc s VAL 41 Ca 0.25 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 2ofc s VAL 41 Cb -0.15 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2ofc s VAL 41 CO 0.09 0.43 0.14 -0.22 0.00 0.00 0.00 175.10 175.54 2ofc s LEU 42 N 1.38 3.82 -0.13 3.92 2.96 0.20 -0.64 118.68 130.19 2ofc s LEU 42 Ca 0.05 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.77 2ofc s LEU 42 Cb -0.14 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 2ofc s LEU 42 CO -0.07 -0.07 -0.04 -0.89 -1.32 0.00 0.00 176.35 173.96 2ofc s THR 43 N 1.68 3.92 0.08 3.68 2.01 -0.13 -0.48 115.64 126.41 2ofc s THR 43 Ca 0.06 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 61.79 2ofc s THR 43 Cb -0.16 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 2ofc s THR 43 CO 0.08 0.53 -0.22 -0.04 -0.69 0.00 0.00 174.62 174.27 2ofc s MET 44 N 0.01 1.30 0.52 4.92 -1.94 0.34 -0.62 119.30 123.84 2ofc s MET 44 Ca 0.01 -1.12 0.34 0.00 -1.71 0.00 0.00 55.69 53.20 2ofc s MET 44 Cb -0.13 -1.55 1.46 0.00 2.01 0.00 0.00 34.83 36.61 2ofc s MET 44 CO 0.03 0.38 1.99 0.78 -0.01 0.00 0.00 175.02 178.19 2ofc h GLY 45 N 4.34 0.00 -1.11 -0.03 0.00 -1.09 -2.29 103.07 102.89 2ofc h GLY 45 Ca -0.46 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.08 2ofc h GLY 45 CO 0.41 0.00 0.55 0.61 0.00 0.00 0.00 176.54 178.11 2ofc n GLY 46 N -0.14 0.37 3.77 4.60 0.00 -1.12 -3.96 105.19 108.70 2ofc n GLY 46 Ca 0.00 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 2ofc n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ofc s SER 47 N -2.72 6.10 0.00 1.61 0.15 -1.26 -4.34 113.70 113.24 2ofc s SER 47 Ca 0.18 2.43 0.00 0.00 0.70 0.00 0.00 55.95 59.26 2ofc s SER 47 Cb -0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2ofc s SER 47 CO -0.01 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 174.07 2ofc n GLY 48 N 0.55 1.40 0.00 9.45 0.00 0.13 -4.70 105.19 112.02 2ofc n GLY 48 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2ofc n GLY 48 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ofc n THR 49 N -0.57 0.00 -3.77 2.61 5.66 -1.20 -4.59 114.28 112.41 2ofc n THR 49 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 2ofc n THR 49 Cb 0.00 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2ofc n THR 49 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2ofc s SER 50 N -0.67 -0.09 0.00 1.09 1.04 -1.26 -2.09 113.70 111.72 2ofc s SER 50 Ca 0.00 -0.40 -0.12 0.00 0.48 0.00 0.00 55.95 55.91 2ofc s SER 50 Cb 0.00 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.53 2ofc s SER 50 CO 0.00 -0.76 0.24 -0.83 0.98 0.00 0.00 173.24 172.87 2ofc s GLY 51 N -3.11 -0.06 -0.08 7.32 0.00 -0.45 -1.15 107.32 109.79 2ofc s GLY 51 Ca 0.16 0.06 0.04 0.00 0.00 0.00 0.00 44.72 44.97 2ofc s GLY 51 CO 0.02 -0.12 -0.20 -1.59 0.00 0.00 0.00 173.10 171.20 2ofc s THR 52 N -1.65 2.52 -0.18 0.90 2.01 -0.78 -1.60 115.64 116.87 2ofc s THR 52 Ca -0.12 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 60.94 2ofc s THR 52 Cb -0.05 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 2ofc s THR 52 CO 0.02 0.56 0.03 -0.76 -0.69 0.00 0.00 174.62 173.77 2ofc s LEU 53 N -0.07 3.59 -0.12 4.42 1.43 0.03 -1.03 118.68 126.92 2ofc s LEU 53 Ca -0.05 -0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 2ofc s LEU 53 Cb -0.14 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 2ofc s LEU 53 CO 0.04 0.16 -0.02 -0.60 0.23 0.00 0.00 176.35 176.16 2ofc s ARG 54 N 0.45 3.33 0.07 1.70 3.52 -0.58 -0.74 118.95 126.70 2ofc s ARG 54 Ca 0.01 -0.46 0.10 0.00 -0.13 0.00 0.00 55.73 55.24 2ofc s ARG 54 Cb -0.13 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.37 2ofc s ARG 54 CO 0.01 0.47 -0.26 -0.06 -0.81 0.00 0.00 175.30 174.65 2ofc s PHE 55 N -0.25 2.26 0.02 5.12 0.40 -0.16 -0.39 117.98 124.98 2ofc s PHE 55 Ca 0.05 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.01 2ofc s PHE 55 Cb -0.13 -1.31 -0.01 0.00 0.51 0.00 0.00 43.02 42.08 2ofc s PHE 55 CO 0.02 0.19 -0.10 -1.58 0.70 0.00 0.00 175.22 174.46 2ofc s HIS 56 N -0.90 0.85 0.16 0.36 2.46 -0.62 -1.81 115.29 115.79 2ofc s HIS 56 Ca 0.12 -0.28 0.08 0.00 0.47 0.00 0.00 55.06 55.45 2ofc s HIS 56 Cb -0.10 -0.52 -0.04 0.00 -0.13 0.00 0.00 32.58 31.79 2ofc s HIS 56 CO 0.03 -0.01 -0.07 0.00 -2.47 0.00 0.00 174.74 172.22 2ofc s ALA 57 N -0.64 3.03 -1.01 1.58 0.00 -0.01 -1.30 121.76 123.40 2ofc s ALA 57 Ca -0.00 -1.40 0.18 0.00 0.00 0.00 0.00 51.96 50.74 2ofc s ALA 57 Cb -0.06 -0.84 0.75 0.00 0.00 0.00 0.00 23.12 22.97 2ofc s ALA 57 CO 0.00 0.50 1.56 -0.40 0.00 0.00 0.00 175.76 177.43 2ofc n ASP 58 N 0.12 0.00 -0.14 0.00 5.68 -1.25 -1.19 116.55 119.76 2ofc n ASP 58 Ca -0.11 0.48 0.14 0.00 -0.50 0.00 0.00 54.79 54.80 2ofc n ASP 58 Cb 0.55 -0.49 0.73 0.00 -1.14 0.00 0.00 41.12 40.76 2ofc n ASP 58 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2ofc n ASN 59 N -1.49 0.43 0.00 -1.12 6.94 -1.26 -4.93 115.26 113.83 2ofc n ASN 59 Ca 0.04 -1.25 0.00 0.00 -0.02 0.00 0.00 54.58 53.35 2ofc n ASN 59 Cb 0.20 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 2ofc n ASN 59 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ofc n GLY 60 N 1.00 2.94 3.76 4.83 0.00 -0.34 -5.07 105.19 112.32 2ofc n GLY 60 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2ofc n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ofc s GLU 61 N -0.84 3.51 0.13 1.61 2.02 -1.26 -4.79 118.70 119.08 2ofc s GLU 61 Ca 0.00 1.98 -0.18 0.00 0.02 0.00 0.00 54.97 56.78 2ofc s GLU 61 Cb 0.00 -2.36 0.05 0.00 0.10 0.00 0.00 34.13 31.92 2ofc s GLU 61 CO 0.00 -0.81 0.46 -1.54 0.02 0.00 0.00 175.26 173.39 2ofc s SER 62 N -1.17 -0.33 0.20 -0.19 1.04 -1.26 -0.83 113.70 111.14 2ofc s SER 62 Ca 0.67 -0.19 -0.22 0.00 0.48 0.00 0.00 55.95 56.68 2ofc s SER 62 Cb -0.34 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.34 2ofc s SER 62 CO 0.41 -0.87 0.63 0.72 0.98 0.00 0.00 173.24 175.11 2ofc s PHE 63 N -3.66 -0.43 0.04 5.02 -0.71 -0.75 -3.50 117.98 113.99 2ofc s PHE 63 Ca 0.02 0.14 0.05 0.00 -1.04 0.00 0.00 56.93 56.10 2ofc s PHE 63 Cb 0.01 0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 42.39 2ofc s PHE 63 CO -0.11 -0.97 -0.11 0.95 -1.34 0.00 0.00 175.22 173.64 2ofc s THR 64 N -3.80 3.30 -0.16 -4.49 -4.23 -0.07 -0.98 115.64 105.20 2ofc s THR 64 Ca 0.04 -1.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 2ofc s THR 64 Cb -0.03 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 71.39 2ofc s THR 64 CO -0.07 0.32 -0.15 0.00 -0.54 0.00 0.00 174.62 174.17 2ofc s ALA 65 N -1.02 1.99 -0.06 3.99 0.00 0.08 -1.79 121.76 124.96 2ofc s ALA 65 Ca 0.17 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.17 2ofc s ALA 65 Cb -0.11 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 2ofc s ALA 65 CO 0.08 -0.40 -0.19 0.99 0.00 0.00 0.00 175.76 176.24 2ofc s THR 66 N 1.43 2.63 -0.02 0.00 2.01 -0.31 -0.79 115.64 120.59 2ofc s THR 66 Ca 0.05 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.20 2ofc s THR 66 Cb -0.13 -2.01 -0.00 0.00 0.01 0.00 0.00 72.50 70.37 2ofc s THR 66 CO -0.11 0.58 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.94 2ofc s PHE 67 N -0.43 0.93 0.03 4.92 0.40 -0.62 -1.81 117.98 121.39 2ofc s PHE 67 Ca 0.05 -0.21 -0.02 0.00 -0.60 0.00 0.00 56.93 56.14 2ofc s PHE 67 Cb -0.12 -0.64 0.01 0.00 0.51 0.00 0.00 43.02 42.78 2ofc s PHE 67 CO 0.02 -0.07 0.12 0.41 0.70 0.00 0.00 175.22 176.39 2ofc n GLY 68 N 3.15 1.38 2.91 4.36 0.00 -0.93 -1.34 105.19 114.73 2ofc n GLY 68 Ca -0.17 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 2ofc n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ofc s VAL 69 N -2.61 0.64 -0.13 1.61 1.01 -0.89 -0.86 120.40 119.18 2ofc s VAL 69 Ca 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 2ofc s VAL 69 Cb -0.00 -0.64 0.03 0.00 0.00 0.00 0.00 36.38 35.76 2ofc s VAL 69 CO 0.01 0.25 -0.08 -2.28 0.00 0.00 0.00 175.10 173.00 2ofc s HIS 70 N 0.88 1.57 -1.47 5.22 5.04 0.07 -0.69 115.29 125.91 2ofc s HIS 70 Ca -0.12 -0.84 -0.02 0.00 -1.54 0.00 0.00 55.06 52.55 2ofc s HIS 70 Cb -0.15 -1.27 0.01 0.00 0.04 0.00 0.00 32.58 31.21 2ofc s HIS 70 CO 0.01 -0.54 0.33 0.09 -2.34 0.00 0.00 174.74 172.28 2ofc n ASN 71 N 4.92 -0.19 0.00 9.88 3.02 -1.26 -1.97 115.26 129.66 2ofc n ASN 71 Ca -0.13 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 2ofc n ASN 71 Cb 0.50 -2.61 0.00 0.00 -0.61 0.00 0.00 39.78 37.05 2ofc n ASN 71 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2ofc n TYR 72 N -4.45 0.00 -5.11 3.10 4.01 -1.26 -4.99 117.16 108.46 2ofc n TYR 72 Ca -0.28 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.14 2ofc n TYR 72 Cb 0.67 -0.45 -0.15 0.00 -0.31 0.00 0.00 39.34 39.10 2ofc n TYR 72 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2ofc s LYS 73 N -0.38 2.18 0.67 -0.72 -0.14 -0.83 -4.81 119.74 115.71 2ofc s LYS 73 Ca 0.00 -0.89 -0.15 0.00 -1.36 0.00 0.00 55.97 53.57 2ofc s LYS 73 Cb 0.00 -2.14 0.00 0.00 -1.68 0.00 0.00 37.83 34.02 2ofc s LYS 73 CO 0.00 0.57 1.13 -0.98 -0.76 0.00 0.00 175.35 175.31 2ofc s ARG 74 N -0.77 2.71 0.13 1.68 3.03 -1.26 -0.75 118.95 123.71 2ofc s ARG 74 Ca 0.11 1.47 -0.02 0.00 2.03 0.00 0.00 55.73 59.32 2ofc s ARG 74 Cb -0.10 -1.93 -0.03 0.00 -1.03 0.00 0.00 34.95 31.85 2ofc s ARG 74 CO 0.00 -1.34 0.08 1.67 -1.13 0.00 0.00 175.30 174.59 2ofc s TRP 75 N -2.24 0.75 0.15 5.89 1.48 -0.04 -3.38 118.94 121.55 2ofc s TRP 75 Ca 0.69 -1.14 -0.20 0.00 -1.06 0.00 0.00 56.10 54.38 2ofc s TRP 75 Cb -0.22 -0.40 0.05 0.00 -1.16 0.00 0.00 33.47 31.74 2ofc s TRP 75 CO 0.41 -0.54 0.53 0.00 -4.06 0.00 0.00 176.95 173.30 2ofc s ASP 77 N -2.78 -0.58 -0.05 0.00 2.15 -0.75 -4.74 116.67 109.93 2ofc s ASP 77 Ca 0.02 0.56 0.05 0.00 0.43 0.00 0.00 52.55 53.61 2ofc s ASP 77 Cb -0.00 0.49 -0.01 0.00 -0.30 0.00 0.00 42.92 43.10 2ofc s ASP 77 CO -0.12 -0.59 -0.19 -0.63 -0.17 0.00 0.00 175.17 173.47 2ofc s ILE 78 N -1.48 1.58 -0.10 4.11 1.01 -1.26 -1.16 121.20 123.89 2ofc s ILE 78 Ca -0.07 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.81 2ofc s ILE 78 Cb -0.00 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.13 2ofc s ILE 78 CO 0.05 0.45 -0.22 -0.69 0.00 0.00 0.00 174.94 174.54 2ofc s VAL 79 N -0.03 1.91 0.45 2.92 1.01 -0.74 -4.98 120.40 120.94 2ofc s VAL 79 Ca -0.03 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2ofc s VAL 79 Cb -0.12 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.61 2ofc s VAL 79 CO 0.02 0.53 0.18 0.35 0.00 0.00 0.00 175.10 176.18 2ofc n THR 80 N 3.70 0.00 -3.71 3.92 -2.24 -1.26 -0.89 114.28 113.80 2ofc n THR 80 Ca -0.20 -1.93 -0.25 0.00 -2.27 0.00 0.00 64.05 59.40 2ofc n THR 80 Cb 0.52 0.14 0.06 0.00 -2.10 0.00 0.00 70.33 68.95 2ofc n THR 80 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ofc n ASN 81 N -1.58 -4.79 -4.73 3.42 3.02 -1.23 -4.88 115.26 104.49 2ofc n ASN 81 Ca -0.09 -0.67 -0.42 0.00 -0.03 0.00 0.00 54.58 53.37 2ofc n ASN 81 Cb 0.54 -4.50 -0.03 0.00 -0.61 0.00 0.00 39.78 35.17 2ofc n ASN 81 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ofc s LEU 82 N -7.14 4.40 0.78 3.41 1.43 -1.26 -5.02 118.68 115.29 2ofc s LEU 82 Ca 0.49 2.40 -0.11 0.00 -1.03 0.00 0.00 54.13 55.88 2ofc s LEU 82 Cb -0.23 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.44 2ofc s LEU 82 CO 0.78 -0.57 1.08 0.00 0.23 0.00 0.00 176.35 177.87 2ofc s ALA 83 N 0.37 2.28 0.50 4.21 0.00 -1.26 -4.93 121.76 122.93 2ofc s ALA 83 Ca 0.59 -0.04 0.21 0.00 0.00 0.00 0.00 51.96 52.72 2ofc s ALA 83 Cb -0.37 -3.16 1.37 0.00 0.00 0.00 0.00 23.12 20.96 2ofc s ALA 83 CO 0.36 -1.67 2.12 0.00 0.00 0.00 0.00 175.76 176.57 2ofc h ALA 84 N -1.05 1.67 -0.26 0.00 0.00 -2.03 -1.18 119.26 116.41 2ofc h ALA 84 Ca -0.46 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2ofc h ALA 84 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2ofc h ALA 84 CO 0.57 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 2ofc n ASP 85 N -4.15 2.01 -4.03 0.00 5.75 -1.26 -4.41 116.55 110.46 2ofc n ASP 85 Ca -0.03 -1.83 -0.42 0.00 -0.01 0.00 0.00 54.79 52.50 2ofc n ASP 85 Cb 0.16 -0.17 -0.00 0.00 -1.03 0.00 0.00 41.12 40.07 2ofc n ASP 85 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2ofc n GLU 86 N 0.56 4.14 -1.64 0.11 1.02 -0.45 -4.93 120.64 119.45 2ofc n GLU 86 Ca 0.16 -4.55 -0.29 0.00 -0.02 0.00 0.00 57.16 52.46 2ofc n GLU 86 Cb 0.36 -2.50 0.12 0.00 -0.02 0.00 0.00 31.44 29.41 2ofc n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2ofc s THR 87 N -2.48 2.04 0.25 2.62 -4.23 -1.26 -4.74 115.64 107.84 2ofc s THR 87 Ca 0.31 0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 60.79 2ofc s THR 87 Cb 0.03 -2.83 0.24 0.00 1.34 0.00 0.00 72.50 71.27 2ofc s THR 87 CO 0.06 -0.02 1.88 1.23 -0.54 0.00 0.00 174.62 177.23 2ofc h GLY 88 N -1.36 1.39 1.84 3.99 0.00 -1.95 -1.69 103.07 105.29 2ofc h GLY 88 Ca -0.49 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.31 2ofc h GLY 88 CO 0.63 0.34 -0.32 0.00 0.00 0.00 0.00 176.54 177.19 2ofc h MET 89 N 1.12 0.18 0.12 4.80 -0.00 -1.94 0.37 114.93 119.59 2ofc h MET 89 Ca 0.39 -0.07 -0.01 0.00 -0.00 0.00 0.00 59.70 60.02 2ofc h MET 89 Cb 0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.69 2ofc h MET 89 CO -0.15 0.49 -0.06 0.28 -0.00 0.00 0.00 176.91 177.47 2ofc h VAL 90 N 0.16 0.99 -0.58 -0.10 2.07 -1.73 -3.07 116.25 113.99 2ofc h VAL 90 Ca 0.02 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2ofc h VAL 90 Cb 0.65 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 2ofc h VAL 90 CO 0.05 0.10 0.31 0.40 0.02 0.00 0.00 177.57 178.45 2ofc h ILE 91 N -0.35 1.19 -0.78 4.57 1.08 -1.01 -2.94 117.51 119.28 2ofc h ILE 91 Ca -0.02 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 2ofc h ILE 91 Cb 0.29 0.46 -0.04 0.00 -3.07 0.00 0.00 36.82 34.46 2ofc h ILE 91 CO 0.03 0.21 0.51 -1.13 -0.69 0.00 0.00 178.15 177.08 2ofc h ASN 92 N 0.79 0.91 0.47 1.72 -0.73 -0.95 -1.59 115.58 116.19 2ofc h ASN 92 Ca 0.20 -0.03 -0.06 0.00 1.87 0.00 0.00 56.30 58.28 2ofc h ASN 92 Cb 0.06 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.41 2ofc h ASN 92 CO -0.03 0.67 -0.31 -0.61 -0.37 0.00 0.00 177.43 176.78 2ofc h GLN 93 N 1.06 0.00 0.00 6.67 4.15 -1.44 -3.03 115.11 122.52 2ofc h GLN 93 Ca 0.28 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.69 2ofc h GLN 93 Cb -0.10 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.58 2ofc h GLN 93 CO -0.06 0.31 -0.06 1.96 -1.93 0.00 0.00 178.83 179.05 2ofc h GLN 94 N 0.00 0.00 0.00 1.69 4.20 -1.11 -1.76 115.11 118.13 2ofc h GLN 94 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ofc h GLN 94 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 2ofc h GLN 94 CO 0.04 0.06 0.00 0.66 -0.67 0.00 0.00 178.83 178.92 2ofc n TYR 95 N -3.59 0.00 -0.47 2.96 4.01 -1.14 -0.80 117.16 118.13 2ofc n TYR 95 Ca -0.02 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.75 2ofc n TYR 95 Cb 0.17 -0.41 0.04 0.00 -0.31 0.00 0.00 39.34 38.83 2ofc n TYR 95 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2ofc n TYR 96 N -1.41 0.00 0.00 -0.72 4.01 -0.66 -3.98 117.16 114.39 2ofc n TYR 96 Ca 0.03 -0.59 0.00 0.00 -0.16 0.00 0.00 57.90 57.18 2ofc n TYR 96 Cb 0.09 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 2ofc n TYR 96 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2ofc n SER 97 N -0.72 0.00 -4.66 7.72 7.64 -0.91 -5.08 113.62 117.61 2ofc n SER 97 Ca 0.05 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.55 2ofc n SER 97 Cb 0.40 0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.53 2ofc n SER 97 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2ofc s GLN 98 N -1.21 4.11 0.18 1.43 0.74 0.02 -4.99 119.66 119.94 2ofc s GLN 98 Ca 0.00 -0.06 -0.18 0.00 0.05 0.00 0.00 55.36 55.17 2ofc s GLN 98 Cb 0.00 -3.54 0.12 0.00 1.10 0.00 0.00 33.01 30.69 2ofc s GLN 98 CO 0.00 0.01 1.64 -0.22 -0.55 0.00 0.00 175.29 176.16 2ofc h LYS 99 N 7.48 -0.08 -0.38 1.67 3.64 -1.98 0.77 116.57 127.69 2ofc h LYS 99 Ca -0.37 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 58.96 2ofc h LYS 99 Cb 1.17 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 2ofc h LYS 99 CO 0.68 -0.05 -0.01 -2.95 -2.27 0.00 0.00 179.45 174.85 2ofc h ASN 100 N -0.08 0.57 -0.20 4.20 -1.07 -1.94 0.03 115.58 117.09 2ofc h ASN 100 Ca 0.21 -0.12 -0.15 0.00 0.07 0.00 0.00 56.30 56.31 2ofc h ASN 100 Cb 0.41 -0.15 0.00 0.00 -2.07 0.00 0.00 38.32 36.52 2ofc h ASN 100 CO -0.50 0.65 -0.47 0.03 0.07 0.00 0.00 177.43 177.21 2ofc h ARG 101 N 0.57 0.66 -0.55 4.14 2.47 -1.54 -2.13 114.38 118.01 2ofc h ARG 101 Ca 0.12 -0.45 0.04 0.00 -1.26 0.00 0.00 59.98 58.43 2ofc h ARG 101 Cb 0.38 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.72 2ofc h ARG 101 CO 0.01 1.07 0.31 0.93 0.56 0.00 0.00 179.97 182.85 2ofc h GLU 102 N 0.35 0.59 -0.54 0.04 5.08 -0.53 -1.58 114.58 117.99 2ofc h GLU 102 Ca -0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2ofc h GLU 102 Cb 1.08 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 2ofc h GLU 102 CO 0.10 0.39 0.19 0.93 -1.00 0.00 0.00 179.01 179.62 2ofc h GLU 103 N 0.60 0.80 -0.34 2.33 5.08 -0.93 -0.48 114.58 121.64 2ofc h GLU 103 Ca 0.24 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2ofc h GLU 103 Cb 0.09 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2ofc h GLU 103 CO -0.13 0.67 0.14 0.00 -1.00 0.00 0.00 179.01 178.68 2ofc h ALA 104 N 1.43 0.45 -0.56 3.43 0.00 -0.76 -1.82 119.26 121.43 2ofc h ALA 104 Ca 0.18 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2ofc h ALA 104 Cb 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2ofc h ALA 104 CO -0.01 0.05 0.32 -0.09 0.00 0.00 0.00 179.25 179.52 2ofc h ARG 105 N 0.41 0.61 0.00 0.00 2.43 -0.91 -2.59 114.38 114.34 2ofc h ARG 105 Ca 0.11 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2ofc h ARG 105 Cb 0.19 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2ofc h ARG 105 CO -0.01 0.41 -0.06 0.93 -1.51 0.00 0.00 179.97 179.73 2ofc h GLU 106 N 0.63 0.00 0.00 0.20 5.08 -0.70 -1.65 114.58 118.14 2ofc h GLU 106 Ca 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2ofc h GLU 106 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2ofc h GLU 106 CO -0.12 0.06 -0.03 0.00 -1.00 0.00 0.00 179.01 177.91 2ofc h ARG 107 N 0.00 0.00 -6.01 2.33 2.47 -0.92 -3.47 114.38 108.78 2ofc h ARG 107 Ca -0.00 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 58.32 2ofc h ARG 107 Cb 0.33 0.00 0.08 0.00 -1.65 0.00 0.00 29.97 28.72 2ofc h ARG 107 CO 0.01 0.03 -0.83 1.04 0.56 0.00 0.00 179.97 180.78 2ofc n GLN 108 N -3.33 -4.88 -2.71 0.04 6.02 -0.62 -4.89 117.38 107.01 2ofc n GLN 108 Ca -0.02 0.65 -0.41 0.00 -0.01 0.00 0.00 57.00 57.22 2ofc n GLN 108 Cb 0.17 -5.25 -0.05 0.00 1.02 0.00 0.00 30.24 26.13 2ofc n GLN 108 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ofc s LEU 109 N -6.57 4.54 0.05 1.08 1.43 -1.22 -4.71 118.68 113.28 2ofc s LEU 109 Ca 0.04 1.87 0.27 0.00 -1.03 0.00 0.00 54.13 55.28 2ofc s LEU 109 Cb -0.01 -3.60 0.98 0.00 0.03 0.00 0.00 46.19 43.59 2ofc s LEU 109 CO 0.80 -0.02 1.78 -1.54 0.23 0.00 0.00 176.35 177.60 2ofc n SER 110 N 2.37 0.30 -3.59 2.29 3.41 -1.26 -3.62 113.62 113.52 2ofc n SER 110 Ca 0.01 0.38 -0.15 0.00 -0.26 0.00 0.00 58.87 58.85 2ofc n SER 110 Cb 0.48 -0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 2ofc n SER 110 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2ofc s ASN 111 N -3.41 -0.66 -0.17 4.04 2.20 -1.26 -0.79 114.94 114.89 2ofc s ASN 111 Ca 0.12 1.05 -0.20 0.00 -0.94 0.00 0.00 52.86 52.90 2ofc s ASN 111 Cb 0.17 0.99 0.05 0.00 -2.00 0.00 0.00 41.25 40.46 2ofc s ASN 111 CO 0.58 -0.38 0.53 -0.47 -2.94 0.00 0.00 177.10 174.43 2ofc s TYR 112 N -0.32 -0.57 0.05 1.54 5.04 -0.52 -4.99 117.35 117.57 2ofc s TYR 112 Ca -0.04 1.32 -0.03 0.00 -2.44 0.00 0.00 57.07 55.89 2ofc s TYR 112 Cb -0.03 0.21 -0.02 0.00 0.35 0.00 0.00 41.96 42.47 2ofc s TYR 112 CO 0.04 -0.32 0.03 -1.83 -1.34 0.00 0.00 175.55 172.12 2ofc s GLU 113 N 0.02 0.58 0.04 4.97 -1.05 -1.26 -0.69 118.70 121.30 2ofc s GLU 113 Ca -0.02 -0.95 -0.25 0.00 -0.15 0.00 0.00 54.97 53.60 2ofc s GLU 113 Cb -0.04 0.21 0.06 0.00 -0.44 0.00 0.00 34.13 33.93 2ofc s GLU 113 CO 0.02 -0.13 0.57 0.54 0.95 0.00 0.00 175.26 177.22 2ofc s VAL 114 N -3.11 0.02 0.04 1.83 0.11 -0.61 -5.00 120.40 113.68 2ofc s VAL 114 Ca -0.01 -0.14 0.03 0.00 -2.93 0.00 0.00 61.98 58.93 2ofc s VAL 114 Cb 0.02 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 2ofc s VAL 114 CO -0.07 -0.08 0.03 -0.54 -3.33 0.00 0.00 175.10 171.11 2ofc s LYS 115 N -2.28 2.77 0.90 1.54 1.02 -1.26 -1.10 119.74 121.33 2ofc s LYS 115 Ca -0.06 -0.68 -0.11 0.00 0.02 0.00 0.00 55.97 55.14 2ofc s LYS 115 Cb -0.01 -2.67 0.19 0.00 -0.52 0.00 0.00 37.83 34.83 2ofc s LYS 115 CO -0.00 0.59 1.24 0.54 -0.92 0.00 0.00 175.35 176.79 2ofc s ASN 116 N -2.00 3.34 0.51 2.83 2.20 -0.30 -4.92 114.94 116.61 2ofc s ASN 116 Ca 0.24 -0.04 0.26 0.00 -0.94 0.00 0.00 52.86 52.39 2ofc s ASN 116 Cb -0.12 -0.05 1.38 0.00 -2.00 0.00 0.00 41.25 40.47 2ofc s ASN 116 CO 0.16 -2.56 2.05 0.00 -2.94 0.00 0.00 177.10 173.81 2ofc h ALA 117 N -1.35 1.30 -0.00 3.54 0.00 -1.97 -0.38 119.26 120.40 2ofc h ALA 117 Ca -0.41 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2ofc h ALA 117 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ofc h ALA 117 CO 0.35 0.17 -0.07 1.63 0.00 0.00 0.00 179.25 181.33 2ofc n LYS 118 N -3.69 0.66 -0.31 0.00 5.02 -1.26 -4.93 118.16 113.65 2ofc n LYS 118 Ca -0.02 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 2ofc n LYS 118 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 2ofc n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ofc n GLY 119 N 1.26 0.76 3.73 0.72 0.00 -0.15 -5.06 105.19 106.44 2ofc n GLY 119 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2ofc n GLY 119 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ofc s ARG 120 N -0.69 4.61 0.21 1.61 3.52 -1.26 -4.76 118.95 122.19 2ofc s ARG 120 Ca 0.00 1.64 -0.16 0.00 -0.13 0.00 0.00 55.73 57.08 2ofc s ARG 120 Cb 0.00 -3.31 -0.08 0.00 -1.56 0.00 0.00 34.95 30.00 2ofc s ARG 120 CO 0.00 0.08 0.64 1.21 -0.81 0.00 0.00 175.30 176.43 2ofc s ASN 121 N 0.04 6.88 -0.03 -2.12 2.47 -1.26 -1.15 114.94 119.77 2ofc s ASN 121 Ca 0.49 1.22 0.01 0.00 0.42 0.00 0.00 52.86 55.01 2ofc s ASN 121 Cb -0.28 -2.34 0.01 0.00 -1.45 0.00 0.00 41.25 37.19 2ofc s ASN 121 CO 0.33 0.01 -0.05 -0.36 -3.72 0.00 0.00 177.10 173.31 2ofc s PHE 122 N -1.61 0.65 0.00 0.43 0.40 -0.26 -0.30 117.98 117.29 2ofc s PHE 122 Ca 0.43 -0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.62 2ofc s PHE 122 Cb -0.14 -0.54 -0.01 0.00 0.51 0.00 0.00 43.02 42.84 2ofc s PHE 122 CO 0.20 -0.12 -0.04 -2.00 0.70 0.00 0.00 175.22 173.95 2ofc s GLU 123 N 0.57 0.34 -0.12 0.44 2.12 -0.42 -1.57 118.70 120.06 2ofc s GLU 123 Ca -0.07 -0.24 -0.01 0.00 0.36 0.00 0.00 54.97 55.00 2ofc s GLU 123 Cb -0.11 -0.28 -0.03 0.00 0.26 0.00 0.00 34.13 33.98 2ofc s GLU 123 CO -0.00 0.07 -0.07 0.42 -0.54 0.00 0.00 175.26 175.14 2ofc s ILE 124 N -0.33 3.63 -0.09 -3.70 1.01 0.13 -0.27 121.20 121.58 2ofc s ILE 124 Ca -0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 2ofc s ILE 124 Cb -0.03 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.93 2ofc s ILE 124 CO -0.00 0.54 -0.04 -0.69 0.00 0.00 0.00 174.94 174.74 2ofc s VAL 125 N -0.04 0.73 -0.33 2.92 1.01 -0.21 -1.44 120.40 123.04 2ofc s VAL 125 Ca -0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 2ofc s VAL 125 Cb -0.13 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.45 2ofc s VAL 125 CO 0.03 0.32 1.11 -0.31 0.00 0.00 0.00 175.10 176.24 2ofc s TYR 126 N 1.83 3.07 -0.51 5.22 1.51 0.03 -0.40 117.35 128.10 2ofc s TYR 126 Ca 0.05 1.12 0.24 0.00 -1.01 0.00 0.00 57.07 57.47 2ofc s TYR 126 Cb -0.12 -3.77 0.24 0.00 -0.11 0.00 0.00 41.96 38.20 2ofc s TYR 126 CO -0.07 -0.92 1.25 1.79 -1.11 0.00 0.00 175.55 176.50 2ofc h THR 127 N 5.79 0.00 -3.33 -0.71 1.35 -1.16 -3.39 112.91 111.47 2ofc h THR 127 Ca -0.21 -0.66 -0.60 0.00 -0.55 0.00 0.00 66.41 64.39 2ofc h THR 127 Cb 1.06 1.24 -0.40 0.00 -1.73 0.00 0.00 68.15 68.33 2ofc h THR 127 CO 1.04 0.00 -0.75 -1.61 -0.25 0.00 0.00 175.52 173.95 2ofc s GLU 128 N -3.23 0.98 0.00 4.72 0.41 -0.89 -4.95 118.70 115.75 2ofc s GLU 128 Ca 0.04 -1.17 0.09 0.00 -0.41 0.00 0.00 54.97 53.52 2ofc s GLU 128 Cb 0.12 -2.32 0.17 0.00 -1.78 0.00 0.00 34.13 30.32 2ofc s GLU 128 CO 0.74 -0.90 1.01 0.00 -0.49 0.00 0.00 175.26 175.62 2ofc n ALA 129 N 4.72 2.30 -2.28 5.21 0.00 -1.26 -1.24 120.51 127.97 2ofc n ALA 129 Ca -0.03 -0.86 -0.09 0.00 0.00 0.00 0.00 53.44 52.46 2ofc n ALA 129 Cb 0.43 -0.33 -0.10 0.00 0.00 0.00 0.00 19.45 19.44 2ofc n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ofc s GLU 130 N -0.88 0.64 1.51 0.00 0.41 -1.26 -4.73 118.70 114.38 2ofc s GLU 130 Ca 0.15 -1.15 0.00 0.00 -0.41 0.00 0.00 54.97 53.56 2ofc s GLU 130 Cb 0.09 0.03 0.00 0.00 -1.78 0.00 0.00 34.13 32.47 2ofc s GLU 130 CO 0.12 -0.06 0.00 0.41 -0.49 0.00 0.00 175.26 175.24 2ofc n GLY 131 N 0.34 -1.73 0.62 -1.39 0.00 -1.26 -4.49 105.19 97.27 2ofc n GLY 131 Ca -0.15 -1.41 0.12 0.00 0.00 0.00 0.00 46.02 44.58 2ofc n GLY 131 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ofc n ASN 132 N 0.34 2.22 -3.90 1.61 0.23 -1.26 -4.62 115.26 109.87 2ofc n ASN 132 Ca 0.00 -1.61 -0.30 0.00 -0.53 0.00 0.00 54.58 52.14 2ofc n ASN 132 Cb 0.00 0.26 -0.14 0.00 -2.08 0.00 0.00 39.78 37.83 2ofc n ASN 132 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2ofc s ASP 133 N -2.30 4.25 -0.01 0.53 2.15 -1.26 -1.22 116.67 118.81 2ofc s ASP 133 Ca 0.23 -3.07 -0.02 0.00 0.43 0.00 0.00 52.55 50.13 2ofc s ASP 133 Cb 0.19 -1.54 -0.04 0.00 -0.30 0.00 0.00 42.92 41.24 2ofc s ASP 133 CO 0.47 -0.22 0.14 -0.76 -0.17 0.00 0.00 175.17 174.63 2ofc s LEU 134 N -0.34 4.16 -0.03 -1.34 1.43 0.15 -4.84 118.68 117.86 2ofc s LEU 134 Ca 0.18 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 2ofc s LEU 134 Cb -0.23 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.55 2ofc s LEU 134 CO -0.02 0.27 -0.04 -1.00 0.23 0.00 0.00 176.35 175.79 2ofc s HIS 135 N -1.26 0.58 0.03 0.29 3.76 -0.37 -0.80 115.29 117.50 2ofc s HIS 135 Ca 0.25 -0.12 0.02 0.00 -0.15 0.00 0.00 55.06 55.06 2ofc s HIS 135 Cb -0.12 -0.50 -0.02 0.00 1.11 0.00 0.00 32.58 33.05 2ofc s HIS 135 CO 0.16 -0.11 -0.08 0.00 -0.85 0.00 0.00 174.74 173.86 2ofc s ALA 136 N 0.57 0.60 -0.10 -1.40 0.00 -0.00 -0.55 121.76 120.89 2ofc s ALA 136 Ca -0.07 -0.60 -0.12 0.00 0.00 0.00 0.00 51.96 51.17 2ofc s ALA 136 Cb -0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 2ofc s ALA 136 CO -0.00 0.05 0.27 -0.80 0.00 0.00 0.00 175.76 175.28 2ofc s ASN 137 N -1.06 6.53 -0.30 0.00 0.01 0.47 -1.25 114.94 119.34 2ofc s ASN 137 Ca -0.05 0.63 -0.05 0.00 -0.71 0.00 0.00 52.86 52.68 2ofc s ASN 137 Cb -0.07 -2.16 0.02 0.00 0.41 0.00 0.00 41.25 39.45 2ofc s ASN 137 CO 0.00 0.28 0.05 -0.22 -1.51 0.00 0.00 177.10 175.71 2ofc s LEU 138 N -0.55 3.86 -0.24 0.60 2.96 0.30 -1.05 118.68 124.56 2ofc s LEU 138 Ca 0.18 -0.91 -0.03 0.00 -0.22 0.00 0.00 54.13 53.15 2ofc s LEU 138 Cb -0.14 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.74 2ofc s LEU 138 CO 0.07 -0.22 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.21 2ofc s ILE 139 N 1.42 3.23 -0.21 6.68 1.01 0.63 -0.43 121.20 133.53 2ofc s ILE 139 Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 2ofc s ILE 139 Cb -0.18 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 2ofc s ILE 139 CO 0.01 0.27 0.14 -0.63 0.00 0.00 0.00 174.94 174.73 2ofc s ILE 140 N 1.41 5.40 -2.43 2.92 1.01 0.12 -1.30 121.20 128.33 2ofc s ILE 140 Ca 0.03 0.19 0.29 0.00 0.00 0.00 0.00 60.65 61.15 2ofc s ILE 140 Cb -0.16 -3.48 0.60 0.00 0.01 0.00 0.00 42.46 39.44 2ofc s ILE 140 CO -0.03 0.42 1.81 0.61 0.00 0.00 0.00 174.94 177.75