#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 2.15 -0.02 4.78 1.51 -0.70 -4.86 117.35 120.21 2ofc s TYR 2 Ca 0.00 -0.40 0.06 0.00 -1.01 0.00 0.00 57.07 55.72 2ofc s TYR 2 Cb 0.00 -1.33 -0.01 0.00 -0.11 0.00 0.00 41.96 40.51 2ofc s TYR 2 CO 0.00 0.04 -0.20 0.21 -1.11 0.00 0.00 175.55 174.49 2ofc s LYS 3 N -0.92 1.68 -0.13 -0.62 2.20 -0.24 -0.58 119.74 121.14 2ofc s LYS 3 Ca 0.10 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 2ofc s LYS 3 Cb -0.09 -1.60 0.02 0.00 -1.51 0.00 0.00 37.83 34.65 2ofc s LYS 3 CO 0.01 0.42 -0.11 0.42 -0.36 0.00 0.00 175.35 175.72 2ofc s ILE 4 N -0.42 1.30 -0.23 5.43 1.01 0.29 -0.56 121.20 128.02 2ofc s ILE 4 Ca 0.06 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 2ofc s ILE 4 Cb -0.08 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 2ofc s ILE 4 CO -0.00 0.41 0.04 -0.89 0.00 0.00 0.00 174.94 174.50 2ofc s THR 5 N 1.54 4.23 -0.16 2.92 2.01 -0.20 -0.70 115.64 125.27 2ofc s THR 5 Ca 0.04 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 2ofc s THR 5 Cb -0.13 -2.95 -0.01 0.00 0.01 0.00 0.00 72.50 69.42 2ofc s THR 5 CO -0.09 0.38 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.42 2ofc s VAL 6 N 1.28 3.01 -0.18 3.82 1.01 0.69 -0.88 120.40 129.15 2ofc s VAL 6 Ca 0.04 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 2ofc s VAL 6 Cb -0.15 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2ofc s VAL 6 CO 0.03 0.50 0.01 -0.13 0.00 0.00 0.00 175.10 175.50 2ofc s ARG 7 N 0.77 3.75 -0.25 2.72 0.52 -0.47 -1.40 118.95 124.60 2ofc s ARG 7 Ca -0.05 -0.46 -0.09 0.00 -0.52 0.00 0.00 55.73 54.61 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 0.13 0.08 0.02 0.00 0.00 175.30 175.73 2ofc s VAL 8 N 0.55 5.00 -0.24 3.52 1.01 -1.26 -0.66 120.40 128.32 2ofc s VAL 8 Ca -0.00 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 2ofc s VAL 8 Cb -0.14 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2ofc s VAL 8 CO 0.02 0.33 0.01 -0.31 0.00 0.00 0.00 175.10 175.15 2ofc s TYR 9 N 1.33 3.03 -0.26 5.22 1.51 0.39 -4.98 117.35 123.60 2ofc s TYR 9 Ca 0.06 -0.81 -0.07 0.00 -1.01 0.00 0.00 57.07 55.24 2ofc s TYR 9 Cb -0.15 -2.17 -0.02 0.00 -0.11 0.00 0.00 41.96 39.51 2ofc s TYR 9 CO 0.06 -0.50 0.08 -0.65 -1.11 0.00 0.00 175.55 173.42 2ofc s GLN 10 N 1.52 3.60 0.00 -0.62 -0.21 -1.26 -0.62 119.66 122.06 2ofc s GLN 10 Ca 0.05 -0.52 0.13 0.00 0.02 0.00 0.00 55.36 55.04 2ofc s GLN 10 Cb -0.15 -3.34 -0.13 0.00 1.00 0.00 0.00 33.01 30.39 2ofc s GLN 10 CO -0.00 -0.22 0.55 0.25 -2.12 0.00 0.00 175.29 173.75 2ofc n THR 11 N 4.92 0.00 -3.97 -0.19 -2.24 -0.87 -4.92 114.28 107.02 2ofc n THR 11 Ca -0.16 -0.22 -0.31 0.00 -2.27 0.00 0.00 64.05 61.10 2ofc n THR 11 Cb 0.51 1.01 -0.15 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 -2.14 4.29 0.00 3.42 3.84 -1.26 -5.00 114.94 118.08 2ofc s ASN 12 Ca 0.05 -1.58 0.06 0.00 0.21 0.00 0.00 52.86 51.60 2ofc s ASN 12 Cb 0.10 -1.36 0.35 0.00 -0.55 0.00 0.00 41.25 39.79 2ofc s ASN 12 CO 0.50 -0.29 0.87 -2.65 -2.79 0.00 0.00 177.10 172.74 2ofc n PRO 13 N 4.51 0.17 0.00 0.43 -0.02 -1.26 -2.80 135.00 136.03 2ofc n PRO 13 Ca -0.06 0.04 0.13 0.00 -2.02 0.00 0.00 63.50 61.59 2ofc n PRO 13 Cb 0.43 -1.50 0.78 0.00 -0.02 0.00 0.00 33.50 33.19 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 -1.06 0.00 -3.75 2.55 0.23 -1.26 -4.82 115.26 107.15 2ofc n ASN 14 Ca 0.04 -1.07 -0.10 0.00 -0.53 0.00 0.00 54.58 52.93 2ofc n ASN 14 Cb 0.03 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.69 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 -2.00 -0.88 -0.06 -2.53 0.00 -1.12 -5.05 121.76 110.12 2ofc s ALA 15 Ca 0.40 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 2ofc s ALA 15 Cb 0.18 0.86 0.03 0.00 0.00 0.00 0.00 23.12 24.19 2ofc s ALA 15 CO 0.30 -0.80 0.06 0.12 0.00 0.00 0.00 175.76 175.44 2ofc s PHE 16 N -3.88 0.16 0.07 0.00 5.36 -1.26 -4.85 117.98 113.58 2ofc s PHE 16 Ca 0.10 0.13 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 2ofc s PHE 16 Cb -0.01 -0.55 -0.04 0.00 -0.34 0.00 0.00 43.02 42.08 2ofc s PHE 16 CO -0.02 -0.25 0.22 -0.06 -1.46 0.00 0.00 175.22 173.65 2ofc s PHE 17 N 2.14 3.51 0.04 10.12 0.40 -1.26 -3.81 117.98 129.12 2ofc s PHE 17 Ca 0.05 0.24 -0.09 0.00 -0.60 0.00 0.00 56.93 56.53 2ofc s PHE 17 Cb -0.13 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.65 2ofc s PHE 17 CO -0.04 0.58 0.18 -3.38 0.70 0.00 0.00 175.22 173.26 2ofc s HIS 18 N -1.54 0.07 0.18 0.36 -3.43 -0.48 -4.94 115.29 105.51 2ofc s HIS 18 Ca 0.35 -0.30 -0.30 0.00 -0.80 0.00 0.00 55.06 54.01 2ofc s HIS 18 Cb -0.13 -0.05 -0.08 0.00 -1.43 0.00 0.00 32.58 30.90 2ofc s HIS 18 CO 0.28 -0.41 1.22 -1.25 -2.00 0.00 0.00 174.74 172.58 2ofc s PRO 19 N -2.51 4.47 0.00 -0.38 0.04 -1.26 -1.64 135.00 133.72 2ofc s PRO 19 Ca -0.06 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2ofc s PRO 19 Cb -0.01 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2ofc s PRO 19 CO -0.04 -0.12 0.39 1.33 0.04 0.00 0.00 177.00 178.59 2ofc n VAL 20 N 2.56 0.00 -3.62 -0.36 0.24 0.60 -4.93 118.33 112.82 2ofc n VAL 20 Ca 0.05 -0.42 -0.11 0.00 -2.04 0.00 0.00 64.34 61.81 2ofc n VAL 20 Cb 0.44 1.14 -0.07 0.00 -1.47 0.00 0.00 33.84 33.89 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 -0.08 0.63 -0.17 7.34 2.12 -1.20 -4.97 118.70 122.38 2ofc s GLU 21 Ca 0.00 0.59 -0.04 0.00 0.36 0.00 0.00 54.97 55.88 2ofc s GLU 21 Cb 0.00 0.31 0.08 0.00 0.26 0.00 0.00 34.13 34.77 2ofc s GLU 21 CO 0.00 -0.11 0.18 -1.59 -0.54 0.00 0.00 175.26 173.20 2ofc s LYS 22 N -0.05 0.13 0.24 4.30 -2.85 -1.26 -1.46 119.74 118.79 2ofc s LYS 22 Ca 0.01 0.22 0.10 0.00 -1.00 0.00 0.00 55.97 55.30 2ofc s LYS 22 Cb -0.04 -1.15 -0.04 0.00 -2.06 0.00 0.00 37.83 34.54 2ofc s LYS 22 CO -0.02 -0.58 -0.12 0.95 0.10 0.00 0.00 175.35 175.67 2ofc s THR 23 N 2.28 2.92 -0.06 3.79 -4.23 -0.21 -4.96 115.64 115.17 2ofc s THR 23 Ca 0.05 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 2ofc s THR 23 Cb -0.15 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.21 2ofc s THR 23 CO -0.10 -0.27 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.98 2ofc s VAL 24 N -2.11 0.57 0.60 2.29 1.01 -1.26 -1.86 120.40 119.64 2ofc s VAL 24 Ca 0.28 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 2ofc s VAL 24 Cb -0.07 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 2ofc s VAL 24 CO 0.16 0.26 1.04 0.86 0.00 0.00 0.00 175.10 177.42 2ofc s TRP 25 N 1.38 3.12 -0.70 5.22 -0.11 -0.31 -4.95 118.94 122.58 2ofc s TRP 25 Ca -0.04 1.48 0.26 0.00 1.22 0.00 0.00 56.10 59.02 2ofc s TRP 25 Cb -0.13 -2.93 0.68 0.00 -1.50 0.00 0.00 33.47 29.58 2ofc s TRP 25 CO -0.03 -0.99 1.66 0.36 -4.62 0.00 0.00 176.95 173.33 2ofc n LYS 26 N -2.19 0.27 -1.19 5.86 2.85 -1.26 -4.26 118.16 118.24 2ofc n LYS 26 Ca 0.08 0.18 -0.30 0.00 -1.05 0.00 0.00 58.31 57.23 2ofc n LYS 26 Cb 0.53 -1.78 0.14 0.00 -0.65 0.00 0.00 35.03 33.27 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 -3.12 2.29 -1.46 5.58 2.02 -1.26 -3.58 117.35 117.82 2ofc s TYR 27 Ca 0.09 1.25 -0.10 0.00 -0.37 0.00 0.00 57.07 57.94 2ofc s TYR 27 Cb 0.12 -3.17 0.04 0.00 -0.40 0.00 0.00 41.96 38.56 2ofc s TYR 27 CO 0.63 -2.43 0.90 0.00 -1.57 0.00 0.00 175.55 173.08 2ofc n ALA 28 N -3.91 -1.19 -1.80 3.71 0.00 -1.26 -0.80 120.51 115.26 2ofc n ALA 28 Ca 0.07 0.27 -0.17 0.00 0.00 0.00 0.00 53.44 53.61 2ofc n ALA 28 Cb 0.55 -4.49 -0.05 0.00 0.00 0.00 0.00 19.45 15.46 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 -2.75 -5.03 0.00 0.00 3.02 -1.26 -2.62 115.26 106.61 2ofc n ASN 29 Ca -0.01 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 2ofc n ASN 29 Cb 0.56 -4.06 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 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 -0.94 2.02 0.00 7.41 0.00 0.02 -4.51 105.19 109.19 2ofc n GLY 30 Ca -0.18 -0.55 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 -1.00 3.38 -0.02 0.00 -1.26 -1.51 105.19 104.77 2ofc n GLY 31 Ca 0.00 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 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 0.01 -0.16 2.61 -4.23 -0.06 -4.98 115.64 105.83 2ofc s THR 32 Ca 0.00 -0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 60.37 2ofc s THR 32 Cb 0.00 -0.70 -0.04 0.00 1.34 0.00 0.00 72.50 73.10 2ofc s THR 32 CO 0.00 -0.03 0.11 0.26 -0.54 0.00 0.00 174.62 174.41 2ofc s TRP 33 N -0.06 3.41 0.35 3.99 0.52 -1.26 -1.18 118.94 124.71 2ofc s TRP 33 Ca -0.03 0.33 0.06 0.00 0.02 0.00 0.00 56.10 56.48 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 0.02 0.43 0.24 0.95 0.02 0.00 0.00 176.95 178.61 2ofc s THR 34 N -0.24 0.14 -0.07 2.01 -4.23 0.07 -4.97 115.64 108.35 2ofc s THR 34 Ca 0.10 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.63 2ofc s THR 34 Cb -0.12 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.28 2ofc s THR 34 CO 0.01 0.00 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.32 2ofc s ILE 35 N -3.40 1.30 -0.06 2.99 1.01 -1.26 -0.81 121.20 120.97 2ofc s ILE 35 Ca 0.36 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.44 2ofc s ILE 35 Cb 0.02 -1.17 0.02 0.00 0.01 0.00 0.00 42.46 41.35 2ofc s ILE 35 CO 0.24 0.39 -0.03 -0.89 0.00 0.00 0.00 174.94 174.65 2ofc s THR 36 N 0.62 0.53 -1.49 2.92 2.01 -0.68 -4.87 115.64 114.69 2ofc s THR 36 Ca -0.15 -0.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.69 2ofc s THR 36 Cb -0.16 -0.59 0.07 0.00 0.01 0.00 0.00 72.50 71.82 2ofc s THR 36 CO 0.04 0.25 0.84 0.47 -0.69 0.00 0.00 174.62 175.53 2ofc n ASP 37 N 4.45 -3.31 0.00 3.53 8.00 -1.26 -0.90 116.55 127.06 2ofc n ASP 37 Ca -0.18 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.48 2ofc n ASP 37 Cb 0.51 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 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 -2.88 -3.83 -4.89 -2.24 8.00 -1.26 -5.00 116.55 104.46 2ofc n ASP 38 Ca -0.07 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.07 2ofc n ASP 38 Cb 0.57 -2.08 -0.06 0.00 -0.02 0.00 0.00 41.12 39.54 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 -1.04 3.46 -0.23 -1.24 -0.21 -0.08 -4.79 119.66 115.52 2ofc s GLN 39 Ca 0.00 -0.17 -0.21 0.00 0.02 0.00 0.00 55.36 55.01 2ofc s GLN 39 Cb 0.00 -3.16 -0.02 0.00 1.00 0.00 0.00 33.01 30.83 2ofc s GLN 39 CO 0.00 0.74 0.65 -1.01 -2.12 0.00 0.00 175.29 173.55 2ofc s HIS 40 N -1.12 3.33 -0.20 0.91 3.76 -0.50 -1.68 115.29 119.79 2ofc s HIS 40 Ca 0.19 0.90 -0.01 0.00 -0.15 0.00 0.00 55.06 55.99 2ofc s HIS 40 Cb -0.12 -2.84 0.01 0.00 1.11 0.00 0.00 32.58 30.73 2ofc s HIS 40 CO 0.09 -0.27 -0.14 0.08 -0.85 0.00 0.00 174.74 173.65 2ofc s VAL 41 N 2.27 2.58 -0.23 -0.90 1.01 0.01 -0.22 120.40 124.92 2ofc s VAL 41 Ca 0.28 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 2ofc s VAL 41 Cb -0.16 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2ofc s VAL 41 CO 0.09 0.48 0.08 -0.22 0.00 0.00 0.00 175.10 175.53 2ofc s LEU 42 N 1.36 3.60 -0.09 3.92 2.96 0.12 -0.75 118.68 129.79 2ofc s LEU 42 Ca 0.05 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 2ofc s LEU 42 Cb -0.14 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 2ofc s LEU 42 CO -0.09 0.02 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.95 2ofc s THR 43 N 1.30 3.25 0.08 3.68 2.01 -0.32 -0.55 115.64 125.08 2ofc s THR 43 Ca 0.05 -0.62 0.07 0.00 0.31 0.00 0.00 61.69 61.50 2ofc s THR 43 Cb -0.15 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 2ofc s THR 43 CO 0.04 0.56 -0.18 -0.04 -0.69 0.00 0.00 174.62 174.31 2ofc s MET 44 N -0.23 1.06 0.36 4.92 -1.94 0.25 -0.88 119.30 122.84 2ofc s MET 44 Ca 0.02 -1.01 0.27 0.00 -1.71 0.00 0.00 55.69 53.25 2ofc s MET 44 Cb -0.13 -1.19 1.13 0.00 2.01 0.00 0.00 34.83 36.65 2ofc s MET 44 CO 0.03 0.28 1.81 0.78 -0.01 0.00 0.00 175.02 177.91 2ofc h GLY 45 N 4.38 0.00 0.00 -0.03 0.00 -1.02 -1.85 103.07 104.55 2ofc h GLY 45 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2ofc h GLY 45 CO 0.41 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.56 2ofc n GLY 46 N -0.04 -1.30 3.77 4.60 0.00 -1.16 -4.10 105.19 106.96 2ofc n GLY 46 Ca 0.01 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.27 6.38 0.00 1.61 0.15 -1.26 -4.33 113.70 113.98 2ofc s SER 47 Ca 0.00 2.34 0.00 0.00 0.70 0.00 0.00 55.95 58.99 2ofc s SER 47 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2ofc s SER 47 CO 0.00 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.28 2ofc n GLY 48 N 0.56 1.30 0.00 9.45 0.00 0.29 -4.69 105.19 112.10 2ofc n GLY 48 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.70 0.00 -3.76 2.61 5.66 -1.22 -4.69 114.28 112.17 2ofc n THR 49 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 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 -0.97 -0.08 -0.00 1.09 1.04 -1.26 -2.15 113.70 111.37 2ofc s SER 50 Ca 0.00 -0.37 -0.09 0.00 0.48 0.00 0.00 55.95 55.97 2ofc s SER 50 Cb 0.00 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.49 2ofc s SER 50 CO 0.00 -0.69 0.17 -0.83 0.98 0.00 0.00 173.24 172.87 2ofc s GLY 51 N -3.14 0.01 -0.10 7.32 0.00 -0.27 -1.16 107.32 109.98 2ofc s GLY 51 Ca 0.17 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.86 2ofc s GLY 51 CO 0.01 -0.20 -0.16 -1.59 0.00 0.00 0.00 173.10 171.16 2ofc s THR 52 N -1.38 2.80 -0.21 0.90 2.01 -0.77 -1.55 115.64 117.45 2ofc s THR 52 Ca -0.14 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 61.01 2ofc s THR 52 Cb -0.07 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 2ofc s THR 52 CO 0.02 0.55 0.06 -0.76 -0.69 0.00 0.00 174.62 173.81 2ofc s LEU 53 N 0.01 3.68 -0.14 4.42 1.43 0.06 -1.04 118.68 127.09 2ofc s LEU 53 Ca -0.05 -0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 52.97 2ofc s LEU 53 Cb -0.15 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 2ofc s LEU 53 CO 0.05 0.10 0.04 -0.60 0.23 0.00 0.00 176.35 176.17 2ofc s ARG 54 N 0.82 3.53 0.08 1.70 3.52 -0.53 -0.68 118.95 127.39 2ofc s ARG 54 Ca 0.03 -0.35 0.10 0.00 -0.13 0.00 0.00 55.73 55.38 2ofc s ARG 54 Cb -0.14 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.19 2ofc s ARG 54 CO 0.02 0.49 -0.26 -0.06 -0.81 0.00 0.00 175.30 174.69 2ofc s PHE 55 N -0.26 2.35 0.01 5.12 0.40 -0.17 -0.29 117.98 125.14 2ofc s PHE 55 Ca 0.07 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 2ofc s PHE 55 Cb -0.12 -1.34 -0.01 0.00 0.51 0.00 0.00 43.02 42.06 2ofc s PHE 55 CO 0.02 0.24 -0.07 -1.58 0.70 0.00 0.00 175.22 174.53 2ofc s HIS 56 N -0.94 0.58 0.12 0.36 2.46 -0.65 -1.80 115.29 115.42 2ofc s HIS 56 Ca 0.13 -0.25 0.08 0.00 0.47 0.00 0.00 55.06 55.49 2ofc s HIS 56 Cb -0.10 -0.36 -0.04 0.00 -0.13 0.00 0.00 32.58 31.95 2ofc s HIS 56 CO 0.04 -0.03 -0.10 0.00 -2.47 0.00 0.00 174.74 172.18 2ofc s ALA 57 N -0.60 2.94 -0.89 1.58 0.00 -0.09 -1.38 121.76 123.32 2ofc s ALA 57 Ca -0.02 -1.30 0.13 0.00 0.00 0.00 0.00 51.96 50.77 2ofc s ALA 57 Cb -0.05 -0.85 0.57 0.00 0.00 0.00 0.00 23.12 22.79 2ofc s ALA 57 CO 0.00 0.60 1.41 -0.40 0.00 0.00 0.00 175.76 177.38 2ofc n ASP 58 N 0.57 0.12 -0.18 0.00 5.68 -1.25 -1.03 116.55 120.47 2ofc n ASP 58 Ca -0.13 0.54 0.13 0.00 -0.50 0.00 0.00 54.79 54.82 2ofc n ASP 58 Cb 0.53 -0.56 0.65 0.00 -1.14 0.00 0.00 41.12 40.60 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 -1.64 0.55 0.00 -1.12 0.23 -1.26 -4.93 115.26 107.09 2ofc n ASN 59 Ca 0.02 -1.34 0.00 0.00 -0.53 0.00 0.00 54.58 52.73 2ofc n ASN 59 Cb 0.14 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 2ofc n ASN 59 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ofc n GLY 60 N 0.99 2.01 3.76 4.83 0.00 -0.20 -5.07 105.19 111.51 2ofc n GLY 60 Ca 0.19 0.00 -0.36 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 -0.96 3.30 0.16 1.61 2.02 -1.25 -4.82 118.70 118.77 2ofc s GLU 61 Ca 0.00 1.80 -0.21 0.00 0.02 0.00 0.00 54.97 56.58 2ofc s GLU 61 Cb 0.00 -2.11 0.05 0.00 0.10 0.00 0.00 34.13 32.17 2ofc s GLU 61 CO 0.00 -0.93 0.55 -1.54 0.02 0.00 0.00 175.26 173.36 2ofc s SER 62 N -1.51 -0.44 0.17 -0.19 1.04 -1.26 -0.91 113.70 110.60 2ofc s SER 62 Ca 0.72 -0.16 -0.23 0.00 0.48 0.00 0.00 55.95 56.76 2ofc s SER 62 Cb -0.29 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.47 2ofc s SER 62 CO 0.33 -0.97 0.65 0.72 0.98 0.00 0.00 173.24 174.95 2ofc s PHE 63 N -3.79 -0.45 0.01 5.02 -0.71 -0.74 -3.69 117.98 113.63 2ofc s PHE 63 Ca 0.03 0.19 0.03 0.00 -1.04 0.00 0.00 56.93 56.14 2ofc s PHE 63 Cb -0.01 0.59 -0.03 0.00 -1.21 0.00 0.00 43.02 42.36 2ofc s PHE 63 CO -0.11 -0.90 -0.06 0.95 -1.34 0.00 0.00 175.22 173.76 2ofc s THR 64 N -3.72 3.67 -0.19 -4.49 -4.23 -0.10 -1.00 115.64 105.58 2ofc s THR 64 Ca 0.04 -0.79 0.01 0.00 -1.18 0.00 0.00 61.69 59.76 2ofc s THR 64 Cb -0.02 -2.61 0.04 0.00 1.34 0.00 0.00 72.50 71.25 2ofc s THR 64 CO -0.08 0.37 -0.12 0.00 -0.54 0.00 0.00 174.62 174.25 2ofc s ALA 65 N -1.02 2.04 -0.07 3.99 0.00 0.14 -1.80 121.76 125.03 2ofc s ALA 65 Ca 0.18 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.98 2ofc s ALA 65 Cb -0.11 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 2ofc s ALA 65 CO 0.08 -0.70 -0.12 0.99 0.00 0.00 0.00 175.76 176.01 2ofc s THR 66 N 1.39 3.21 -0.02 0.00 2.01 -0.38 -0.76 115.64 121.08 2ofc s THR 66 Ca 0.00 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.38 2ofc s THR 66 Cb -0.15 -2.29 -0.00 0.00 0.01 0.00 0.00 72.50 70.06 2ofc s THR 66 CO -0.09 0.57 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.94 2ofc s PHE 67 N -0.47 1.10 0.00 4.92 0.40 -0.60 -1.92 117.98 121.40 2ofc s PHE 67 Ca 0.06 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.13 2ofc s PHE 67 Cb -0.12 -0.75 0.00 0.00 0.51 0.00 0.00 43.02 42.66 2ofc s PHE 67 CO 0.02 -0.09 0.00 0.41 0.70 0.00 0.00 175.22 176.26 2ofc n GLY 68 N 3.12 1.48 2.95 4.36 0.00 -0.91 -1.11 105.19 115.07 2ofc n GLY 68 Ca -0.17 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.63 0.92 -0.14 1.61 1.01 -0.91 -0.81 120.40 119.44 2ofc s VAL 69 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2ofc s VAL 69 Cb 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.50 2ofc s VAL 69 CO 0.00 0.32 -0.15 -2.28 0.00 0.00 0.00 175.10 173.00 2ofc s HIS 70 N 1.08 2.16 -1.46 5.22 5.04 0.33 -0.55 115.29 127.11 2ofc s HIS 70 Ca -0.07 -1.18 -0.07 0.00 -1.54 0.00 0.00 55.06 52.19 2ofc s HIS 70 Cb -0.14 -1.58 0.05 0.00 0.04 0.00 0.00 32.58 30.95 2ofc s HIS 70 CO -0.01 -0.64 0.74 -1.71 -2.34 0.00 0.00 174.74 170.79 2ofc n ASN 71 N 4.65 -2.48 0.00 9.88 4.05 -1.26 -1.84 115.26 128.26 2ofc n ASN 71 Ca -0.17 -0.87 0.00 0.00 0.45 0.00 0.00 54.58 53.98 2ofc n ASN 71 Cb 0.50 -3.59 0.00 0.00 1.23 0.00 0.00 39.78 37.92 2ofc n ASN 71 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2ofc n TYR 72 N -4.46 0.00 -4.51 1.20 4.01 -1.26 -4.99 117.16 107.14 2ofc n TYR 72 Ca -0.14 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.33 2ofc n TYR 72 Cb 0.60 -0.59 -0.13 0.00 -0.31 0.00 0.00 39.34 38.91 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 -0.52 1.41 0.74 -0.72 1.02 -0.77 -4.84 119.74 116.06 2ofc s LYS 73 Ca 0.00 -1.18 -0.14 0.00 0.02 0.00 0.00 55.97 54.68 2ofc s LYS 73 Cb 0.00 -1.71 0.05 0.00 -0.52 0.00 0.00 37.83 35.65 2ofc s LYS 73 CO 0.00 0.42 1.15 -0.98 -0.92 0.00 0.00 175.35 175.02 2ofc s ARG 74 N -1.69 2.17 0.12 1.68 3.03 -1.26 -0.51 118.95 122.48 2ofc s ARG 74 Ca 0.10 1.53 -0.02 0.00 2.03 0.00 0.00 55.73 59.38 2ofc s ARG 74 Cb -0.10 -1.86 -0.03 0.00 -1.03 0.00 0.00 34.95 31.93 2ofc s ARG 74 CO 0.04 -1.76 0.07 1.67 -1.13 0.00 0.00 175.30 174.19 2ofc s TRP 75 N -2.32 0.72 0.17 5.89 1.48 0.01 -3.82 118.94 121.07 2ofc s TRP 75 Ca 0.69 -1.13 -0.18 0.00 -1.06 0.00 0.00 56.10 54.42 2ofc s TRP 75 Cb -0.24 -0.40 0.04 0.00 -1.16 0.00 0.00 33.47 31.71 2ofc s TRP 75 CO 0.48 -0.52 0.51 0.00 -4.06 0.00 0.00 176.95 173.36 2ofc s ASP 77 N -2.84 -0.59 -0.07 0.00 2.15 -0.81 -4.66 116.67 109.85 2ofc s ASP 77 Ca 0.06 0.55 0.03 0.00 0.43 0.00 0.00 52.55 53.63 2ofc s ASP 77 Cb -0.00 0.50 0.00 0.00 -0.30 0.00 0.00 42.92 43.12 2ofc s ASP 77 CO -0.06 -0.61 -0.17 -0.63 -0.17 0.00 0.00 175.17 173.52 2ofc s ILE 78 N -1.56 1.51 -0.12 4.11 1.01 -1.26 -1.25 121.20 123.65 2ofc s ILE 78 Ca -0.07 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.88 2ofc s ILE 78 Cb -0.00 -1.33 -0.00 0.00 0.01 0.00 0.00 42.46 41.14 2ofc s ILE 78 CO 0.05 0.44 -0.21 -0.69 0.00 0.00 0.00 174.94 174.53 2ofc s VAL 79 N 0.39 2.30 0.51 2.92 1.01 -0.75 -4.98 120.40 121.79 2ofc s VAL 79 Ca -0.13 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 60.94 2ofc s VAL 79 Cb -0.15 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.33 2ofc s VAL 79 CO 0.05 0.55 0.14 0.35 0.00 0.00 0.00 175.10 176.18 2ofc n THR 80 N 3.67 0.00 -3.74 3.92 -2.24 -1.26 -0.92 114.28 113.70 2ofc n THR 80 Ca -0.19 -2.25 -0.26 0.00 -2.27 0.00 0.00 64.05 59.08 2ofc n THR 80 Cb 0.53 0.29 0.05 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.48 -5.13 -4.73 3.42 3.02 -1.24 -4.88 115.26 104.23 2ofc n ASN 81 Ca -0.14 -0.67 -0.42 0.00 -0.03 0.00 0.00 54.58 53.32 2ofc n ASN 81 Cb 0.62 -4.45 -0.03 0.00 -0.61 0.00 0.00 39.78 35.31 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 -7.22 4.38 0.75 3.41 1.43 -1.26 -5.01 118.68 115.16 2ofc s LEU 82 Ca 0.56 2.54 -0.11 0.00 -1.03 0.00 0.00 54.13 56.09 2ofc s LEU 82 Cb -0.26 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.39 2ofc s LEU 82 CO 0.78 -0.69 1.08 0.00 0.23 0.00 0.00 176.35 177.75 2ofc s ALA 83 N 0.54 2.38 0.49 4.21 0.00 -1.26 -4.95 121.76 123.17 2ofc s ALA 83 Ca 0.63 0.16 0.29 0.00 0.00 0.00 0.00 51.96 53.03 2ofc s ALA 83 Cb -0.40 -3.23 1.62 0.00 0.00 0.00 0.00 23.12 21.11 2ofc s ALA 83 CO 0.37 -1.59 2.15 0.00 0.00 0.00 0.00 175.76 176.69 2ofc h ALA 84 N -0.99 1.37 -0.15 0.00 0.00 -2.03 -1.47 119.26 116.00 2ofc h ALA 84 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2ofc h ALA 84 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ofc h ALA 84 CO 0.54 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 2ofc n ASP 85 N -3.71 1.87 -4.15 0.00 5.68 -1.26 -4.46 116.55 110.52 2ofc n ASP 85 Ca -0.02 -1.70 -0.44 0.00 -0.50 0.00 0.00 54.79 52.12 2ofc n ASP 85 Cb 0.17 -0.09 0.01 0.00 -1.14 0.00 0.00 41.12 40.07 2ofc n ASP 85 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2ofc n GLU 86 N 0.46 4.04 -1.67 0.11 1.02 -0.55 -4.92 120.64 119.11 2ofc n GLU 86 Ca 0.17 -4.47 -0.29 0.00 -0.02 0.00 0.00 57.16 52.55 2ofc n GLU 86 Cb 0.38 -2.55 0.13 0.00 -0.02 0.00 0.00 31.44 29.37 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 -1.97 1.99 0.24 2.62 -4.23 -1.26 -4.75 115.64 108.28 2ofc s THR 87 Ca 0.32 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.77 2ofc s THR 87 Cb -0.02 -2.84 0.23 0.00 1.34 0.00 0.00 72.50 71.21 2ofc s THR 87 CO 0.02 0.00 1.89 1.23 -0.54 0.00 0.00 174.62 177.22 2ofc h GLY 88 N -1.41 1.34 1.68 3.99 0.00 -1.95 -1.72 103.07 105.00 2ofc h GLY 88 Ca -0.48 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.32 2ofc h GLY 88 CO 0.60 0.38 -0.21 0.00 0.00 0.00 0.00 176.54 177.31 2ofc h MET 89 N 1.14 0.38 0.10 4.80 -0.00 -1.94 0.71 114.93 120.13 2ofc h MET 89 Ca 0.37 -0.12 -0.01 0.00 -0.00 0.00 0.00 59.70 59.94 2ofc h MET 89 Cb 0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 31.59 2ofc h MET 89 CO -0.13 0.57 -0.05 0.28 -0.00 0.00 0.00 176.91 177.59 2ofc h VAL 90 N 0.34 0.99 -0.55 -0.10 2.07 -1.74 -2.87 116.25 114.40 2ofc h VAL 90 Ca 0.06 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2ofc h VAL 90 Cb 0.56 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2ofc h VAL 90 CO 0.04 0.08 0.30 0.40 0.02 0.00 0.00 177.57 178.41 2ofc h ILE 91 N -0.29 1.18 -0.81 4.57 1.08 -1.04 -2.61 117.51 119.59 2ofc h ILE 91 Ca -0.01 -0.47 0.01 0.00 -0.39 0.00 0.00 64.86 64.00 2ofc h ILE 91 Cb 0.24 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 34.44 2ofc h ILE 91 CO 0.02 0.20 0.54 -1.13 -0.69 0.00 0.00 178.15 177.09 2ofc h ASN 92 N 0.74 0.92 0.24 1.72 -0.73 -0.86 -1.94 115.58 115.67 2ofc h ASN 92 Ca 0.19 -0.02 -0.10 0.00 1.87 0.00 0.00 56.30 58.24 2ofc h ASN 92 Cb 0.05 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.40 2ofc h ASN 92 CO -0.03 0.66 -0.40 -0.61 -0.37 0.00 0.00 177.43 176.68 2ofc h GLN 93 N 1.08 0.22 -0.10 6.67 4.15 -1.35 -3.05 115.11 122.73 2ofc h GLN 93 Ca 0.31 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.66 2ofc h GLN 93 Cb -0.09 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.59 2ofc h GLN 93 CO -0.08 0.58 0.08 1.96 -1.93 0.00 0.00 178.83 179.45 2ofc h GLN 94 N 0.18 0.00 0.00 1.69 4.20 -0.97 -0.95 115.11 119.27 2ofc h GLN 94 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2ofc h GLN 94 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2ofc h GLN 94 CO 0.06 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.88 2ofc n TYR 95 N -4.36 0.21 -0.41 2.96 4.01 -1.15 -0.89 117.16 117.53 2ofc n TYR 95 Ca -0.00 0.10 0.03 0.00 -0.16 0.00 0.00 57.90 57.87 2ofc n TYR 95 Cb 0.19 -0.67 0.05 0.00 -0.31 0.00 0.00 39.34 38.61 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 -1.71 0.00 0.00 -0.72 4.01 -0.36 -3.76 117.16 114.61 2ofc n TYR 96 Ca 0.01 -0.66 0.00 0.00 -0.16 0.00 0.00 57.90 57.09 2ofc n TYR 96 Cb 0.06 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 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 -0.81 0.00 -4.64 7.72 7.64 -0.86 -5.07 113.62 117.60 2ofc n SER 97 Ca 0.06 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.56 2ofc n SER 97 Cb 0.40 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.00 4.05 0.23 1.43 0.74 -0.07 -5.00 119.66 120.05 2ofc s GLN 98 Ca 0.00 -0.15 -0.07 0.00 0.05 0.00 0.00 55.36 55.19 2ofc s GLN 98 Cb 0.00 -3.58 0.28 0.00 1.10 0.00 0.00 33.01 30.80 2ofc s GLN 98 CO 0.00 -0.06 1.86 -0.22 -0.55 0.00 0.00 175.29 176.32 2ofc h LYS 99 N 7.78 0.94 -0.65 1.67 1.63 -1.97 -0.07 116.57 125.90 2ofc h LYS 99 Ca -0.36 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.35 2ofc h LYS 99 Cb 1.17 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 32.56 2ofc h LYS 99 CO 0.64 0.62 0.26 -2.95 -3.45 0.00 0.00 179.45 174.57 2ofc h ASN 100 N 0.97 0.88 -0.23 4.20 -1.07 -1.94 -0.48 115.58 117.91 2ofc h ASN 100 Ca 0.34 -0.12 -0.18 0.00 0.07 0.00 0.00 56.30 56.41 2ofc h ASN 100 Cb 0.09 -0.23 0.00 0.00 -2.07 0.00 0.00 38.32 36.12 2ofc h ASN 100 CO -0.14 0.79 -0.56 0.03 0.07 0.00 0.00 177.43 177.62 2ofc h ARG 101 N 0.94 0.78 -0.62 4.14 3.08 -1.53 -1.97 114.38 119.20 2ofc h ARG 101 Ca 0.22 -0.54 0.07 0.00 0.07 0.00 0.00 59.98 59.81 2ofc h ARG 101 Cb 0.19 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 2ofc h ARG 101 CO -0.02 1.16 0.30 0.93 -1.07 0.00 0.00 179.97 181.27 2ofc h GLU 102 N 0.52 0.54 -0.58 0.04 5.08 -0.70 -1.33 114.58 118.15 2ofc h GLU 102 Ca -0.00 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2ofc h GLU 102 Cb 1.17 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 2ofc h GLU 102 CO 0.12 0.35 0.10 0.93 -1.00 0.00 0.00 179.01 179.52 2ofc h GLU 103 N 0.55 0.92 -0.61 2.33 5.08 -0.96 -0.36 114.58 121.53 2ofc h GLU 103 Ca 0.29 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2ofc h GLU 103 Cb 0.26 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2ofc h GLU 103 CO -0.22 0.85 0.33 0.00 -1.00 0.00 0.00 179.01 178.96 2ofc h ALA 104 N 1.23 0.79 -0.24 3.43 0.00 -0.77 -2.36 119.26 121.34 2ofc h ALA 104 Ca 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2ofc h ALA 104 Cb 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2ofc h ALA 104 CO 0.01 0.32 0.12 -0.09 0.00 0.00 0.00 179.25 179.60 2ofc h ARG 105 N 0.83 0.34 0.00 0.00 2.43 -0.91 -3.10 114.38 113.97 2ofc h ARG 105 Ca 0.21 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2ofc h ARG 105 Cb 0.06 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2ofc h ARG 105 CO -0.03 0.34 0.00 0.39 -1.51 0.00 0.00 179.97 179.16 2ofc n GLU 106 N -4.83 0.21 0.21 0.20 1.02 -0.17 -1.64 120.64 115.64 2ofc n GLU 106 Ca -0.03 0.42 0.15 0.00 -0.02 0.00 0.00 57.16 57.69 2ofc n GLU 106 Cb 0.10 -1.90 0.70 0.00 -0.02 0.00 0.00 31.44 30.33 2ofc n GLU 106 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ofc h ARG 107 N 0.00 0.00 -6.00 3.49 3.08 -1.35 -3.47 114.38 110.14 2ofc h ARG 107 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.64 2ofc h ARG 107 Cb 0.39 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.52 2ofc h ARG 107 CO 0.00 0.00 -0.77 1.04 -1.07 0.00 0.00 179.97 179.17 2ofc n GLN 108 N -2.60 -6.11 -2.40 0.04 6.02 -0.65 -4.89 117.38 106.79 2ofc n GLN 108 Ca -0.00 0.71 -0.41 0.00 -0.01 0.00 0.00 57.00 57.29 2ofc n GLN 108 Cb 0.16 -5.56 -0.04 0.00 1.02 0.00 0.00 30.24 25.83 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 -6.90 4.46 0.00 1.08 1.43 -1.25 -4.68 118.68 112.82 2ofc s LEU 109 Ca 0.29 2.22 0.25 0.00 -1.03 0.00 0.00 54.13 55.86 2ofc s LEU 109 Cb -0.14 -3.61 0.45 0.00 0.03 0.00 0.00 46.19 42.93 2ofc s LEU 109 CO 0.78 -0.33 1.40 -1.54 0.23 0.00 0.00 176.35 176.89 2ofc n SER 110 N 2.36 2.25 -3.68 2.29 3.41 -1.26 -2.98 113.62 116.01 2ofc n SER 110 Ca 0.04 -1.68 -0.11 0.00 -0.26 0.00 0.00 58.87 56.85 2ofc n SER 110 Cb 0.45 0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.39 2ofc n SER 110 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2ofc s ASN 111 N -2.12 -0.63 -0.23 4.04 3.04 -1.26 -0.68 114.94 117.10 2ofc s ASN 111 Ca 0.29 1.11 -0.21 0.00 0.04 0.00 0.00 52.86 54.09 2ofc s ASN 111 Cb 0.20 1.04 0.06 0.00 -1.54 0.00 0.00 41.25 41.01 2ofc s ASN 111 CO 0.37 -0.20 0.62 -0.47 -3.04 0.00 0.00 177.10 174.38 2ofc s TYR 112 N 1.01 -0.70 0.06 0.43 5.04 -0.25 -5.01 117.35 117.93 2ofc s TYR 112 Ca -0.06 1.68 0.02 0.00 -2.44 0.00 0.00 57.07 56.26 2ofc s TYR 112 Cb -0.06 0.25 -0.03 0.00 0.35 0.00 0.00 41.96 42.47 2ofc s TYR 112 CO -0.09 -0.34 -0.07 -1.83 -1.34 0.00 0.00 175.55 171.89 2ofc s GLU 113 N 0.42 0.64 0.07 4.97 -1.05 -1.26 -0.81 118.70 121.68 2ofc s GLU 113 Ca -0.01 -1.01 -0.23 0.00 -0.15 0.00 0.00 54.97 53.57 2ofc s GLU 113 Cb -0.04 -0.19 0.06 0.00 -0.44 0.00 0.00 34.13 33.51 2ofc s GLU 113 CO -0.01 0.00 0.55 0.54 0.95 0.00 0.00 175.26 177.30 2ofc s VAL 114 N -2.46 0.02 0.12 1.83 0.11 -0.54 -4.99 120.40 114.49 2ofc s VAL 114 Ca -0.01 -0.17 0.05 0.00 -2.93 0.00 0.00 61.98 58.92 2ofc s VAL 114 Cb -0.03 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 2ofc s VAL 114 CO -0.03 -0.09 0.06 -0.54 -3.33 0.00 0.00 175.10 171.18 2ofc s LYS 115 N -2.77 2.73 0.80 1.54 1.02 -1.26 -1.11 119.74 120.69 2ofc s LYS 115 Ca -0.04 -0.84 -0.04 0.00 0.02 0.00 0.00 55.97 55.07 2ofc s LYS 115 Cb -0.00 -2.60 0.16 0.00 -0.52 0.00 0.00 37.83 34.87 2ofc s LYS 115 CO -0.04 0.52 1.09 0.54 -0.92 0.00 0.00 175.35 176.54 2ofc s ASN 116 N -2.67 3.90 0.46 2.83 2.20 -0.44 -4.93 114.94 116.30 2ofc s ASN 116 Ca 0.29 -0.36 0.17 0.00 -0.94 0.00 0.00 52.86 52.02 2ofc s ASN 116 Cb -0.11 0.15 1.08 0.00 -2.00 0.00 0.00 41.25 40.38 2ofc s ASN 116 CO 0.21 -2.18 2.00 0.00 -2.94 0.00 0.00 177.10 174.19 2ofc h ALA 117 N -0.85 1.58 0.00 3.54 0.00 -1.97 -0.60 119.26 120.97 2ofc h ALA 117 Ca -0.36 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2ofc h ALA 117 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ofc h ALA 117 CO 0.36 0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.47 2ofc n LYS 118 N -4.16 0.10 -0.10 0.00 5.02 -1.26 -4.92 118.16 112.86 2ofc n LYS 118 Ca -0.02 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2ofc n LYS 118 Cb 0.25 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 0.81 0.82 3.74 0.72 0.00 -0.23 -5.07 105.19 105.97 2ofc n GLY 119 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.90 4.64 0.21 1.61 3.52 -1.26 -4.79 118.95 121.98 2ofc s ARG 120 Ca 0.00 1.64 -0.17 0.00 -0.13 0.00 0.00 55.73 57.08 2ofc s ARG 120 Cb 0.00 -3.30 -0.08 0.00 -1.56 0.00 0.00 34.95 30.01 2ofc s ARG 120 CO 0.00 0.14 0.66 1.21 -0.81 0.00 0.00 175.30 176.50 2ofc s ASN 121 N -0.17 6.93 -0.02 -2.12 2.47 -1.26 -1.32 114.94 119.44 2ofc s ASN 121 Ca 0.48 1.27 0.02 0.00 0.42 0.00 0.00 52.86 55.05 2ofc s ASN 121 Cb -0.28 -2.36 0.01 0.00 -1.45 0.00 0.00 41.25 37.16 2ofc s ASN 121 CO 0.34 0.02 -0.07 -0.36 -3.72 0.00 0.00 177.10 173.31 2ofc s PHE 122 N -1.57 0.72 -0.00 0.43 0.40 -0.27 -0.35 117.98 117.35 2ofc s PHE 122 Ca 0.43 -0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.60 2ofc s PHE 122 Cb -0.15 -0.54 -0.00 0.00 0.51 0.00 0.00 43.02 42.84 2ofc s PHE 122 CO 0.20 -0.09 -0.02 -2.00 0.70 0.00 0.00 175.22 174.01 2ofc s GLU 123 N 0.26 0.18 -0.13 0.44 2.12 -0.25 -1.47 118.70 119.85 2ofc s GLU 123 Ca -0.03 -0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.22 2ofc s GLU 123 Cb -0.08 -0.19 -0.01 0.00 0.26 0.00 0.00 34.13 34.11 2ofc s GLU 123 CO 0.00 0.04 -0.14 0.42 -0.54 0.00 0.00 175.26 175.05 2ofc s ILE 124 N -0.01 2.98 -0.06 -3.70 1.01 0.01 -0.26 121.20 121.17 2ofc s ILE 124 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2ofc s ILE 124 Cb -0.01 -2.25 0.02 0.00 0.01 0.00 0.00 42.46 40.23 2ofc s ILE 124 CO -0.00 0.52 -0.04 -0.69 0.00 0.00 0.00 174.94 174.73 2ofc s VAL 125 N 0.41 0.58 -0.34 2.92 1.01 -0.41 -1.09 120.40 123.48 2ofc s VAL 125 Ca -0.11 -0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.50 2ofc s VAL 125 Cb -0.16 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.60 2ofc s VAL 125 CO 0.05 0.26 1.05 -0.31 0.00 0.00 0.00 175.10 176.15 2ofc s TYR 126 N 1.31 3.12 -0.09 5.22 1.51 0.14 -0.60 117.35 127.96 2ofc s TYR 126 Ca -0.05 1.09 0.14 0.00 -1.01 0.00 0.00 57.07 57.24 2ofc s TYR 126 Cb -0.14 -3.71 -0.04 0.00 -0.11 0.00 0.00 41.96 37.96 2ofc s TYR 126 CO -0.02 -0.80 1.25 1.79 -1.11 0.00 0.00 175.55 176.66 2ofc h THR 127 N 5.77 0.95 -3.62 -0.71 1.35 -1.21 -3.38 112.91 112.06 2ofc h THR 127 Ca -0.21 -2.43 -0.64 0.00 -0.55 0.00 0.00 66.41 62.59 2ofc h THR 127 Cb 1.06 2.42 -0.39 0.00 -1.73 0.00 0.00 68.15 69.52 2ofc h THR 127 CO 1.03 0.54 -0.76 -0.70 -0.25 0.00 0.00 175.52 175.38 2ofc s GLU 128 N -2.89 1.52 0.00 4.72 -6.30 -0.93 -4.98 118.70 109.85 2ofc s GLU 128 Ca 0.02 -1.42 0.15 0.00 -2.50 0.00 0.00 54.97 51.21 2ofc s GLU 128 Cb 0.08 -2.79 0.36 0.00 0.00 0.00 0.00 34.13 31.78 2ofc s GLU 128 CO 0.78 -0.79 1.27 0.00 0.02 0.00 0.00 175.26 176.54 2ofc n ALA 129 N 4.49 2.30 -2.46 6.30 0.00 -1.26 -1.62 120.51 128.26 2ofc n ALA 129 Ca -0.04 -1.07 -0.25 0.00 0.00 0.00 0.00 53.44 52.07 2ofc n ALA 129 Cb 0.43 -0.59 -0.12 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.07 1.29 2.29 0.00 2.02 -1.26 -4.66 118.70 117.31 2ofc s GLU 130 Ca 0.29 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.97 2ofc s GLU 130 Cb 0.16 -1.60 0.00 0.00 0.10 0.00 0.00 34.13 32.79 2ofc s GLU 130 CO 0.21 0.36 0.00 0.41 0.02 0.00 0.00 175.26 176.27 2ofc n GLY 131 N 0.78 -1.14 0.58 -1.39 0.00 -1.26 -4.40 105.19 98.36 2ofc n GLY 131 Ca -0.17 -1.24 0.11 0.00 0.00 0.00 0.00 46.02 44.72 2ofc n GLY 131 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ofc n ASN 132 N 0.11 2.19 -3.87 1.61 4.13 -1.26 -4.66 115.26 113.51 2ofc n ASN 132 Ca 0.00 -1.59 -0.29 0.00 1.68 0.00 0.00 54.58 54.38 2ofc n ASN 132 Cb 0.00 0.37 -0.13 0.00 -1.54 0.00 0.00 39.78 38.48 2ofc n ASN 132 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2ofc s ASP 133 N -2.28 4.23 0.01 6.41 2.15 -1.26 -1.08 116.67 124.85 2ofc s ASP 133 Ca 0.20 -3.24 -0.02 0.00 0.43 0.00 0.00 52.55 49.91 2ofc s ASP 133 Cb 0.18 -1.48 -0.04 0.00 -0.30 0.00 0.00 42.92 41.28 2ofc s ASP 133 CO 0.49 -0.18 0.19 -0.76 -0.17 0.00 0.00 175.17 174.74 2ofc s LEU 134 N -0.56 4.37 -0.04 -1.34 1.43 0.28 -4.89 118.68 117.92 2ofc s LEU 134 Ca 0.21 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.66 2ofc s LEU 134 Cb -0.17 -2.69 0.02 0.00 0.03 0.00 0.00 46.19 43.38 2ofc s LEU 134 CO -0.07 0.24 -0.05 -1.00 0.23 0.00 0.00 176.35 175.71 2ofc s HIS 135 N -1.36 0.75 0.04 0.29 3.76 -0.64 -1.04 115.29 117.09 2ofc s HIS 135 Ca 0.29 -0.20 0.02 0.00 -0.15 0.00 0.00 55.06 55.02 2ofc s HIS 135 Cb -0.13 -0.65 -0.02 0.00 1.11 0.00 0.00 32.58 32.90 2ofc s HIS 135 CO 0.20 -0.17 -0.08 0.00 -0.85 0.00 0.00 174.74 173.84 2ofc s ALA 136 N 0.80 0.62 -0.13 -1.40 0.00 -0.06 -0.64 121.76 120.95 2ofc s ALA 136 Ca -0.11 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.08 2ofc s ALA 136 Cb -0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2ofc s ALA 136 CO 0.00 0.03 0.16 -0.80 0.00 0.00 0.00 175.76 175.15 2ofc s ASN 137 N -1.29 6.37 -0.29 0.00 0.01 0.23 -1.36 114.94 118.61 2ofc s ASN 137 Ca -0.07 0.44 -0.06 0.00 -0.71 0.00 0.00 52.86 52.46 2ofc s ASN 137 Cb -0.08 -2.09 0.01 0.00 0.41 0.00 0.00 41.25 39.49 2ofc s ASN 137 CO 0.00 0.34 0.07 -0.22 -1.51 0.00 0.00 177.10 175.78 2ofc s LEU 138 N -0.66 3.74 -0.21 0.60 2.96 0.17 -1.29 118.68 123.99 2ofc s LEU 138 Ca 0.14 -0.67 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 2ofc s LEU 138 Cb -0.12 -1.86 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 2ofc s LEU 138 CO 0.03 -0.17 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.19 2ofc s ILE 139 N 1.49 3.10 -0.20 6.68 1.09 0.64 -0.46 121.20 133.53 2ofc s ILE 139 Ca 0.03 -0.59 -0.09 0.00 -1.10 0.00 0.00 60.65 58.90 2ofc s ILE 139 Cb -0.17 -2.39 -0.05 0.00 -1.06 0.00 0.00 42.46 38.79 2ofc s ILE 139 CO 0.02 0.45 0.11 -0.63 -0.10 0.00 0.00 174.94 174.79 2ofc s ILE 140 N 1.44 5.17 -2.50 2.92 1.01 0.21 -1.10 121.20 128.36 2ofc s ILE 140 Ca 0.06 0.11 0.28 0.00 0.00 0.00 0.00 60.65 61.09 2ofc s ILE 140 Cb -0.14 -3.36 0.55 0.00 0.01 0.00 0.00 42.46 39.52 2ofc s ILE 140 CO -0.05 0.43 1.75 0.61 0.00 0.00 0.00 174.94 177.67