#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ofe s TYR 2 N 0.00 1.92 -0.04 4.78 1.51 -0.74 -4.86 117.35 119.92 2ofe s TYR 2 Ca 0.00 -0.37 0.06 0.00 -1.01 0.00 0.00 57.07 55.75 2ofe s TYR 2 Cb 0.00 -1.20 -0.01 0.00 -0.11 0.00 0.00 41.96 40.64 2ofe s TYR 2 CO 0.00 0.01 -0.22 0.21 -1.11 0.00 0.00 175.55 174.45 2ofe s LYS 3 N -0.75 2.01 -0.15 -0.62 2.20 -0.15 -0.20 119.74 122.07 2ofe s LYS 3 Ca 0.08 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 2ofe s LYS 3 Cb -0.09 -1.81 0.03 0.00 -1.51 0.00 0.00 37.83 34.46 2ofe s LYS 3 CO 0.00 0.38 -0.12 0.42 -0.36 0.00 0.00 175.35 175.68 2ofe s ILE 4 N -0.26 1.46 -0.24 5.43 1.01 0.64 -0.53 121.20 128.69 2ofe s ILE 4 Ca 0.02 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 2ofe s ILE 4 Cb -0.11 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 2ofe s ILE 4 CO 0.01 0.37 0.10 -0.89 0.00 0.00 0.00 174.94 174.53 2ofe s THR 5 N 1.52 4.67 -0.18 2.92 2.01 0.21 -0.48 115.64 126.31 2ofe s THR 5 Ca 0.04 -0.05 -0.03 0.00 0.31 0.00 0.00 61.69 61.96 2ofe s THR 5 Cb -0.13 -3.18 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 2ofe s THR 5 CO -0.10 0.34 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.41 2ofe s VAL 6 N 1.39 3.38 -0.17 3.82 1.01 0.12 -0.83 120.40 129.12 2ofe s VAL 6 Ca 0.06 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 2ofe s VAL 6 Cb -0.15 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 2ofe s VAL 6 CO 0.05 0.47 -0.00 -0.13 0.00 0.00 0.00 175.10 175.49 2ofe s ARG 7 N 0.85 3.73 -0.23 2.72 0.52 -0.36 -1.47 118.95 124.71 2ofe s ARG 7 Ca -0.02 -0.48 -0.09 0.00 -0.52 0.00 0.00 55.73 54.62 2ofe s ARG 7 Cb -0.15 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 2ofe s ARG 7 CO 0.01 0.19 0.13 0.08 0.02 0.00 0.00 175.30 175.72 2ofe s VAL 8 N 0.54 5.07 -0.17 3.52 1.01 -1.26 -0.30 120.40 128.81 2ofe s VAL 8 Ca -0.01 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 2ofe s VAL 8 Cb -0.14 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 2ofe s VAL 8 CO 0.02 0.36 -0.09 -0.31 0.00 0.00 0.00 175.10 175.09 2ofe s TYR 9 N 1.03 2.90 -0.15 5.22 1.51 0.80 -4.97 117.35 123.69 2ofe s TYR 9 Ca 0.06 -0.78 -0.00 0.00 -1.01 0.00 0.00 57.07 55.33 2ofe s TYR 9 Cb -0.14 -1.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 2ofe s TYR 9 CO 0.04 -0.37 -0.13 -0.65 -1.11 0.00 0.00 175.55 173.33 2ofe s GLN 10 N 0.88 3.31 -0.00 -0.62 -0.21 -1.26 -0.55 119.66 121.21 2ofe s GLN 10 Ca -0.02 -0.70 0.06 0.00 0.02 0.00 0.00 55.36 54.71 2ofe s GLN 10 Cb -0.15 -2.68 -0.07 0.00 1.00 0.00 0.00 33.01 31.12 2ofe s GLN 10 CO 0.00 0.07 0.22 0.25 -2.12 0.00 0.00 175.29 173.72 2ofe n THR 11 N 3.93 0.00 -4.03 -0.19 -2.24 -0.93 -4.98 114.28 105.83 2ofe n THR 11 Ca -0.19 -0.32 -0.33 0.00 -2.27 0.00 0.00 64.05 60.94 2ofe n THR 11 Cb 0.52 0.88 -0.15 0.00 -2.10 0.00 0.00 70.33 69.48 2ofe n THR 11 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2ofe s ASN 12 N -1.74 4.10 0.00 3.42 3.84 -1.26 -5.00 114.94 118.30 2ofe s ASN 12 Ca 0.01 -1.01 0.17 0.00 0.21 0.00 0.00 52.86 52.24 2ofe s ASN 12 Cb 0.04 -1.58 0.89 0.00 -0.55 0.00 0.00 41.25 40.05 2ofe s ASN 12 CO 0.23 -0.12 1.50 -0.81 -2.79 0.00 0.00 177.10 175.11 2ofe n PRO 13 N 4.58 0.28 0.00 0.43 -0.04 -1.26 -2.94 135.00 136.04 2ofe n PRO 13 Ca -0.17 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.53 2ofe n PRO 13 Cb 0.46 -1.50 0.74 0.00 -0.04 0.00 0.00 33.50 33.15 2ofe n PRO 13 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2ofe n ASN 14 N -1.25 0.00 -3.57 3.54 0.23 -1.26 -4.80 115.26 108.14 2ofe n ASN 14 Ca 0.09 -0.62 -0.12 0.00 -0.53 0.00 0.00 54.58 53.40 2ofe n ASN 14 Cb 0.13 -0.08 -0.04 0.00 -2.08 0.00 0.00 39.78 37.71 2ofe n ASN 14 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ofe s ALA 15 N -2.15 -1.20 -0.12 -2.53 0.00 -1.15 -4.99 121.76 109.62 2ofe s ALA 15 Ca 0.35 0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.57 2ofe s ALA 15 Cb 0.18 0.62 0.04 0.00 0.00 0.00 0.00 23.12 23.96 2ofe s ALA 15 CO 0.32 -0.62 0.03 0.12 0.00 0.00 0.00 175.76 175.61 2ofe s PHE 16 N -3.30 0.65 0.07 0.00 5.36 -1.26 -4.83 117.98 114.67 2ofe s PHE 16 Ca -0.00 -0.34 -0.07 0.00 -0.96 0.00 0.00 56.93 55.55 2ofe s PHE 16 Cb 0.00 -0.82 -0.05 0.00 -0.34 0.00 0.00 43.02 41.81 2ofe s PHE 16 CO -0.09 -0.42 0.35 -0.06 -1.46 0.00 0.00 175.22 173.54 2ofe s PHE 17 N 1.98 3.56 0.02 10.12 0.40 -1.26 -3.78 117.98 129.01 2ofe s PHE 17 Ca 0.03 0.66 -0.04 0.00 -0.60 0.00 0.00 56.93 56.98 2ofe s PHE 17 Cb -0.14 -2.06 -0.01 0.00 0.51 0.00 0.00 43.02 41.32 2ofe s PHE 17 CO -0.06 0.53 0.06 -3.38 0.70 0.00 0.00 175.22 173.07 2ofe s HIS 18 N -1.42 0.17 0.17 0.36 -3.43 -0.50 -4.93 115.29 105.71 2ofe s HIS 18 Ca 0.33 -0.39 -0.30 0.00 -0.80 0.00 0.00 55.06 53.90 2ofe s HIS 18 Cb -0.13 -0.13 -0.08 0.00 -1.43 0.00 0.00 32.58 30.81 2ofe s HIS 18 CO 0.19 -0.27 1.26 -1.25 -2.00 0.00 0.00 174.74 172.66 2ofe s PRO 19 N -1.77 4.43 0.00 -0.38 0.04 -1.26 -1.47 135.00 134.59 2ofe s PRO 19 Ca -0.12 1.95 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2ofe s PRO 19 Cb -0.07 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2ofe s PRO 19 CO -0.01 -0.20 0.34 1.33 0.04 0.00 0.00 177.00 178.50 2ofe n VAL 20 N 2.81 0.00 -3.63 -0.36 0.24 0.44 -4.93 118.33 112.89 2ofe n VAL 20 Ca 0.06 -0.38 -0.11 0.00 -2.04 0.00 0.00 64.34 61.88 2ofe n VAL 20 Cb 0.44 1.22 -0.07 0.00 -1.47 0.00 0.00 33.84 33.96 2ofe n VAL 20 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2ofe s GLU 21 N -0.07 0.61 -0.07 7.34 2.12 -1.21 -4.97 118.70 122.44 2ofe s GLU 21 Ca 0.00 0.68 -0.03 0.00 0.36 0.00 0.00 54.97 55.98 2ofe s GLU 21 Cb 0.00 0.30 0.04 0.00 0.26 0.00 0.00 34.13 34.73 2ofe s GLU 21 CO 0.00 -0.08 0.13 -1.59 -0.54 0.00 0.00 175.26 173.18 2ofe s LYS 22 N 0.19 0.01 0.19 4.30 -2.85 -1.26 -1.43 119.74 118.89 2ofe s LYS 22 Ca 0.02 0.49 0.10 0.00 -1.00 0.00 0.00 55.97 55.58 2ofe s LYS 22 Cb -0.05 -0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 35.35 2ofe s LYS 22 CO -0.04 -0.30 -0.21 0.95 0.10 0.00 0.00 175.35 175.85 2ofe s THR 23 N 2.15 2.13 -0.09 3.79 -4.23 -0.29 -4.97 115.64 114.14 2ofe s THR 23 Ca 0.02 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 2ofe s THR 23 Cb -0.12 -2.01 0.02 0.00 1.34 0.00 0.00 72.50 71.73 2ofe s THR 23 CO -0.05 -0.22 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.01 2ofe s VAL 24 N -1.87 1.16 0.63 2.29 1.01 -1.26 -1.64 120.40 120.72 2ofe s VAL 24 Ca 0.19 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 2ofe s VAL 24 Cb -0.07 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2ofe s VAL 24 CO 0.09 0.37 1.07 0.86 0.00 0.00 0.00 175.10 177.49 2ofe s TRP 25 N 1.01 2.92 -0.77 5.22 -0.00 -0.20 -4.95 118.94 122.17 2ofe s TRP 25 Ca -0.08 1.51 0.26 0.00 -0.00 0.00 0.00 56.10 57.79 2ofe s TRP 25 Cb -0.15 -3.02 0.75 0.00 -0.00 0.00 0.00 33.47 31.06 2ofe s TRP 25 CO -0.01 -1.27 1.67 0.36 -0.00 0.00 0.00 176.95 177.70 2ofe n LYS 26 N -2.37 0.21 -1.42 5.86 2.85 -1.26 -4.29 118.16 117.74 2ofe n LYS 26 Ca 0.09 0.13 -0.29 0.00 -1.05 0.00 0.00 58.31 57.19 2ofe n LYS 26 Cb 0.53 -1.70 0.13 0.00 -0.65 0.00 0.00 35.03 33.33 2ofe n LYS 26 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2ofe s TYR 27 N -3.09 2.50 -1.51 5.58 2.02 -1.26 -3.68 117.35 117.91 2ofe s TYR 27 Ca 0.10 1.04 -0.13 0.00 -0.37 0.00 0.00 57.07 57.71 2ofe s TYR 27 Cb 0.14 -3.25 0.08 0.00 -0.40 0.00 0.00 41.96 38.53 2ofe s TYR 27 CO 0.62 -2.29 0.99 0.00 -1.57 0.00 0.00 175.55 173.31 2ofe n ALA 28 N -3.76 -1.32 -2.00 3.71 0.00 -1.26 -1.03 120.51 114.86 2ofe n ALA 28 Ca 0.06 0.20 -0.20 0.00 0.00 0.00 0.00 53.44 53.51 2ofe n ALA 28 Cb 0.57 -4.47 -0.04 0.00 0.00 0.00 0.00 19.45 15.51 2ofe n ALA 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ofe n ASN 29 N -2.86 -5.51 0.00 0.00 3.02 -1.26 -2.75 115.26 105.91 2ofe n ASN 29 Ca 0.03 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 2ofe n ASN 29 Cb 0.53 -4.63 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 2ofe n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ofe n GLY 30 N -0.80 2.57 0.00 7.41 0.00 -0.19 -4.49 105.19 109.68 2ofe n GLY 30 Ca -0.22 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2ofe n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ofe n GLY 31 N 0.00 -1.04 3.22 -0.02 0.00 -1.26 -1.47 105.19 104.62 2ofe n GLY 31 Ca 0.00 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 2ofe n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ofe s THR 32 N -3.00 0.01 -0.15 2.61 -4.23 0.11 -4.97 115.64 106.02 2ofe s THR 32 Ca 0.00 -0.07 -0.08 0.00 -1.18 0.00 0.00 61.69 60.36 2ofe s THR 32 Cb 0.00 -0.49 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 2ofe s THR 32 CO 0.00 -0.04 0.12 0.26 -0.54 0.00 0.00 174.62 174.42 2ofe s TRP 33 N -0.05 3.46 0.32 3.99 0.52 -1.26 -0.94 118.94 124.98 2ofe s TRP 33 Ca -0.02 0.38 0.06 0.00 0.02 0.00 0.00 56.10 56.54 2ofe s TRP 33 Cb -0.03 -2.03 -0.03 0.00 -1.15 0.00 0.00 33.47 30.23 2ofe s TRP 33 CO 0.01 0.49 0.25 -0.08 0.02 0.00 0.00 176.95 177.64 2ofe s THR 34 N -0.35 0.03 -0.06 2.01 -1.32 -0.03 -4.98 115.64 110.94 2ofe s THR 34 Ca 0.11 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.63 2ofe s THR 34 Cb -0.12 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 2ofe s THR 34 CO 0.01 0.00 -0.17 -0.63 -2.21 0.00 0.00 174.62 171.62 2ofe s ILE 35 N -3.53 1.48 -0.03 5.08 1.01 -1.26 -0.80 121.20 123.14 2ofe s ILE 35 Ca 0.40 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 2ofe s ILE 35 Cb 0.03 -1.30 0.03 0.00 0.01 0.00 0.00 42.46 41.23 2ofe s ILE 35 CO 0.25 0.43 0.03 -0.89 0.00 0.00 0.00 174.94 174.76 2ofe s THR 36 N 0.32 0.01 -1.50 2.92 2.01 -0.63 -4.88 115.64 113.90 2ofe s THR 36 Ca -0.11 0.26 -0.07 0.00 0.31 0.00 0.00 61.69 62.08 2ofe s THR 36 Cb -0.14 -0.19 0.06 0.00 0.01 0.00 0.00 72.50 72.23 2ofe s THR 36 CO 0.04 0.15 0.63 0.47 -0.69 0.00 0.00 174.62 175.22 2ofe n ASP 37 N 4.69 -1.86 -0.26 3.53 8.00 -1.26 -0.77 116.55 128.62 2ofe n ASP 37 Ca -0.16 -0.96 -0.03 0.00 0.71 0.00 0.00 54.79 54.35 2ofe n ASP 37 Cb 0.50 -3.20 -0.01 0.00 -0.02 0.00 0.00 41.12 38.39 2ofe n ASP 37 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ofe n ASP 38 N -2.88 -5.14 -4.77 -2.24 9.92 -1.26 -4.99 116.55 105.18 2ofe n ASP 38 Ca -0.15 0.08 -0.34 0.00 -0.53 0.00 0.00 54.79 53.85 2ofe n ASP 38 Cb 0.61 -2.94 -0.07 0.00 -0.64 0.00 0.00 41.12 38.07 2ofe n ASP 38 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2ofe s GLN 39 N -1.88 3.09 -0.29 -1.24 -0.21 0.05 -4.79 119.66 114.39 2ofe s GLN 39 Ca 0.00 -0.43 -0.21 0.00 0.02 0.00 0.00 55.36 54.75 2ofe s GLN 39 Cb 0.00 -2.88 -0.01 0.00 1.00 0.00 0.00 33.01 31.12 2ofe s GLN 39 CO 0.00 0.68 0.65 -1.01 -2.12 0.00 0.00 175.29 173.49 2ofe s HIS 40 N -1.10 3.24 -0.24 0.91 3.76 -0.54 -1.60 115.29 119.71 2ofe s HIS 40 Ca 0.20 0.70 -0.02 0.00 -0.15 0.00 0.00 55.06 55.78 2ofe s HIS 40 Cb -0.12 -2.97 0.02 0.00 1.11 0.00 0.00 32.58 30.62 2ofe s HIS 40 CO 0.10 -0.44 -0.06 0.08 -0.85 0.00 0.00 174.74 173.57 2ofe s VAL 41 N 2.62 2.98 -0.28 -0.90 1.01 0.01 0.15 120.40 126.00 2ofe s VAL 41 Ca 0.27 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 2ofe s VAL 41 Cb -0.15 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2ofe s VAL 41 CO 0.11 0.29 0.17 -0.22 0.00 0.00 0.00 175.10 175.44 2ofe s LEU 42 N 1.37 3.94 -0.13 3.92 2.96 0.37 -0.85 118.68 130.26 2ofe s LEU 42 Ca 0.02 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 2ofe s LEU 42 Cb -0.16 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 2ofe s LEU 42 CO -0.05 -0.07 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.96 2ofe s THR 43 N 1.71 3.70 0.07 3.68 2.01 -0.12 -0.26 115.64 126.44 2ofe s THR 43 Ca 0.07 -0.44 0.09 0.00 0.31 0.00 0.00 61.69 61.72 2ofe s THR 43 Cb -0.16 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 2ofe s THR 43 CO 0.09 0.52 -0.23 -0.04 -0.69 0.00 0.00 174.62 174.27 2ofe s MET 44 N 0.14 1.42 0.59 4.92 -1.94 0.72 -0.71 119.30 124.44 2ofe s MET 44 Ca -0.03 -1.11 0.37 0.00 -1.71 0.00 0.00 55.69 53.22 2ofe s MET 44 Cb -0.14 -1.65 1.81 0.00 2.01 0.00 0.00 34.83 36.86 2ofe s MET 44 CO 0.03 0.41 2.16 0.78 -0.01 0.00 0.00 175.02 178.39 2ofe h GLY 45 N 4.48 0.00 -0.60 -0.03 0.00 -1.10 -1.96 103.07 103.86 2ofe h GLY 45 Ca -0.46 0.00 0.12 0.00 0.00 0.00 0.00 47.33 46.99 2ofe h GLY 45 CO 0.42 0.00 0.30 0.61 0.00 0.00 0.00 176.54 177.87 2ofe n GLY 46 N -0.52 0.37 3.77 4.60 0.00 -1.11 -3.93 105.19 108.36 2ofe n GLY 46 Ca -0.01 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 2ofe n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ofe s SER 47 N -1.91 6.54 0.00 1.61 0.15 -1.26 -4.33 113.70 114.50 2ofe s SER 47 Ca 0.10 2.35 0.00 0.00 0.70 0.00 0.00 55.95 59.10 2ofe s SER 47 Cb -0.00 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2ofe s SER 47 CO -0.01 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.38 2ofe n GLY 48 N 0.64 1.33 0.00 9.45 0.00 0.08 -4.68 105.19 112.01 2ofe n GLY 48 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2ofe n GLY 48 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ofe n THR 49 N -0.41 0.00 -3.77 2.61 5.66 -1.21 -4.61 114.28 112.55 2ofe n THR 49 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 2ofe n THR 49 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 2ofe n THR 49 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2ofe s SER 50 N -0.81 -0.15 0.00 1.09 1.04 -1.26 -2.13 113.70 111.48 2ofe s SER 50 Ca 0.00 -0.45 -0.04 0.00 0.48 0.00 0.00 55.95 55.94 2ofe s SER 50 Cb 0.00 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.60 2ofe s SER 50 CO 0.00 -0.92 0.07 -0.83 0.98 0.00 0.00 173.24 172.55 2ofe s GLY 51 N -3.00 0.10 -0.08 7.32 0.00 -0.28 -1.03 107.32 110.34 2ofe s GLY 51 Ca 0.14 -0.24 0.04 0.00 0.00 0.00 0.00 44.72 44.65 2ofe s GLY 51 CO 0.03 -0.34 -0.19 -1.59 0.00 0.00 0.00 173.10 171.00 2ofe s THR 52 N -1.23 2.54 -0.17 0.90 2.01 -0.65 -1.56 115.64 117.47 2ofe s THR 52 Ca -0.13 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 60.94 2ofe s THR 52 Cb -0.08 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 2ofe s THR 52 CO 0.00 0.56 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.73 2ofe s LEU 53 N -0.08 3.39 -0.13 4.42 1.43 0.00 -1.14 118.68 126.56 2ofe s LEU 53 Ca -0.04 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 52.93 2ofe s LEU 53 Cb -0.14 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 2ofe s LEU 53 CO 0.04 0.15 0.00 -0.60 0.23 0.00 0.00 176.35 176.18 2ofe s ARG 54 N 0.46 3.47 0.06 1.70 3.52 -0.51 -0.77 118.95 126.89 2ofe s ARG 54 Ca -0.02 -0.43 0.08 0.00 -0.13 0.00 0.00 55.73 55.23 2ofe s ARG 54 Cb -0.14 -2.93 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 2ofe s ARG 54 CO 0.02 0.43 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.70 2ofe s PHE 55 N -0.14 2.52 0.01 5.12 0.40 -0.09 -0.42 117.98 125.39 2ofe s PHE 55 Ca 0.04 -0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.13 2ofe s PHE 55 Cb -0.13 -1.42 -0.01 0.00 0.51 0.00 0.00 43.02 41.97 2ofe s PHE 55 CO 0.02 0.28 -0.09 -1.58 0.70 0.00 0.00 175.22 174.56 2ofe s HIS 56 N -0.98 0.76 0.26 0.36 2.46 -0.54 -1.95 115.29 115.66 2ofe s HIS 56 Ca 0.15 -0.24 0.10 0.00 0.47 0.00 0.00 55.06 55.54 2ofe s HIS 56 Cb -0.10 -0.47 -0.04 0.00 -0.13 0.00 0.00 32.58 31.83 2ofe s HIS 56 CO 0.06 -0.02 -0.05 0.00 -2.47 0.00 0.00 174.74 172.27 2ofe s ALA 57 N -0.53 3.07 0.41 1.58 0.00 0.15 -1.41 121.76 125.02 2ofe s ALA 57 Ca 0.00 -1.66 0.17 0.00 0.00 0.00 0.00 51.96 50.47 2ofe s ALA 57 Cb -0.05 -0.69 1.07 0.00 0.00 0.00 0.00 23.12 23.45 2ofe s ALA 57 CO 0.00 0.30 1.83 -0.44 0.00 0.00 0.00 175.76 177.44 2ofe h ASP 58 N 2.09 0.44 0.00 0.00 3.32 -1.88 -1.88 116.42 118.51 2ofe h ASP 58 Ca -0.44 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2ofe h ASP 58 Cb 1.24 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2ofe h ASP 58 CO 0.59 0.15 0.00 -0.46 -1.72 0.00 0.00 179.24 177.81 2ofe n ASN 59 N -4.55 0.00 0.00 6.45 0.23 -1.26 -4.88 115.26 111.25 2ofe n ASN 59 Ca 0.21 -1.18 0.00 0.00 -0.53 0.00 0.00 54.58 53.08 2ofe n ASN 59 Cb 0.75 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.45 2ofe n ASN 59 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ofe n GLY 60 N 0.86 0.50 3.77 4.83 0.00 -0.71 -5.06 105.19 109.38 2ofe n GLY 60 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2ofe n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ofe s GLU 61 N -0.92 3.87 0.09 1.61 2.02 -1.26 -4.82 118.70 119.28 2ofe s GLU 61 Ca 0.00 1.78 -0.20 0.00 0.02 0.00 0.00 54.97 56.57 2ofe s GLU 61 Cb 0.00 -2.49 0.05 0.00 0.10 0.00 0.00 34.13 31.79 2ofe s GLU 61 CO 0.00 -0.46 0.48 -1.54 0.02 0.00 0.00 175.26 173.76 2ofe s SER 62 N -1.31 -0.38 0.19 -0.19 1.04 -1.26 -0.68 113.70 111.12 2ofe s SER 62 Ca 0.61 -0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.81 2ofe s SER 62 Cb -0.29 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.37 2ofe s SER 62 CO 0.35 -0.79 0.57 0.72 0.98 0.00 0.00 173.24 175.07 2ofe s PHE 63 N -3.09 -0.29 0.02 5.02 -0.71 -0.82 -3.80 117.98 114.30 2ofe s PHE 63 Ca -0.02 -0.02 0.05 0.00 -1.04 0.00 0.00 56.93 55.90 2ofe s PHE 63 Cb 0.00 0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 42.26 2ofe s PHE 63 CO -0.07 -0.92 -0.11 0.95 -1.34 0.00 0.00 175.22 173.74 2ofe s THR 64 N -3.83 3.34 -0.15 -4.49 -4.23 0.11 -0.91 115.64 105.49 2ofe s THR 64 Ca 0.06 -0.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 2ofe s THR 64 Cb -0.01 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 71.40 2ofe s THR 64 CO -0.06 0.37 -0.18 0.00 -0.54 0.00 0.00 174.62 174.21 2ofe s ALA 65 N -0.98 2.05 -0.05 3.99 0.00 0.05 -1.79 121.76 125.03 2ofe s ALA 65 Ca 0.16 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.18 2ofe s ALA 65 Cb -0.11 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 2ofe s ALA 65 CO 0.07 -0.22 -0.22 0.99 0.00 0.00 0.00 175.76 176.37 2ofe s THR 66 N 1.17 2.36 -0.02 0.00 2.01 -0.19 -0.82 115.64 120.15 2ofe s THR 66 Ca -0.00 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.05 2ofe s THR 66 Cb -0.14 -1.87 -0.00 0.00 0.01 0.00 0.00 72.50 70.50 2ofe s THR 66 CO -0.07 0.58 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.96 2ofe s PHE 67 N -0.42 1.06 0.15 4.92 0.40 -0.60 -1.86 117.98 121.64 2ofe s PHE 67 Ca 0.04 -0.25 -0.10 0.00 -0.60 0.00 0.00 56.93 56.02 2ofe s PHE 67 Cb -0.12 -0.73 0.04 0.00 0.51 0.00 0.00 43.02 42.72 2ofe s PHE 67 CO 0.01 -0.08 0.51 0.41 0.70 0.00 0.00 175.22 176.78 2ofe n GLY 68 N 3.10 1.15 2.94 4.36 0.00 -0.85 -1.13 105.19 114.76 2ofe n GLY 68 Ca -0.17 -1.09 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 2ofe n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ofe s VAL 69 N -2.38 0.88 -0.14 1.61 1.01 -0.91 -0.83 120.40 119.64 2ofe s VAL 69 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2ofe s VAL 69 Cb -0.02 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.53 2ofe s VAL 69 CO 0.05 0.31 -0.12 -2.28 0.00 0.00 0.00 175.10 173.05 2ofe s HIS 70 N 1.02 1.95 -1.43 5.22 5.04 0.54 -0.74 115.29 126.89 2ofe s HIS 70 Ca -0.09 -1.06 -0.05 0.00 -1.54 0.00 0.00 55.06 52.33 2ofe s HIS 70 Cb -0.15 -1.48 0.00 0.00 0.04 0.00 0.00 32.58 31.00 2ofe s HIS 70 CO -0.00 -0.61 0.30 0.09 -2.34 0.00 0.00 174.74 172.18 2ofe n ASN 71 N 4.79 -0.48 0.00 9.88 3.02 -1.26 -1.87 115.26 129.34 2ofe n ASN 71 Ca -0.16 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 2ofe n ASN 71 Cb 0.50 -2.38 0.00 0.00 -0.61 0.00 0.00 39.78 37.29 2ofe n ASN 71 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2ofe n TYR 72 N -4.52 0.00 -5.13 3.10 4.01 -1.26 -4.99 117.16 108.37 2ofe n TYR 72 Ca -0.29 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.14 2ofe n TYR 72 Cb 0.67 -0.74 -0.15 0.00 -0.31 0.00 0.00 39.34 38.81 2ofe n TYR 72 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2ofe s LYS 73 N -0.64 2.23 0.61 -0.72 -0.14 -0.78 -4.81 119.74 115.49 2ofe s LYS 73 Ca 0.00 -0.86 -0.17 0.00 -1.36 0.00 0.00 55.97 53.58 2ofe s LYS 73 Cb 0.00 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.96 2ofe s LYS 73 CO 0.00 0.58 1.12 -0.98 -0.76 0.00 0.00 175.35 175.31 2ofe s ARG 74 N -0.70 3.05 0.11 1.68 3.03 -1.26 -0.34 118.95 124.53 2ofe s ARG 74 Ca 0.11 1.49 -0.02 0.00 2.03 0.00 0.00 55.73 59.34 2ofe s ARG 74 Cb -0.10 -1.98 -0.04 0.00 -1.03 0.00 0.00 34.95 31.81 2ofe s ARG 74 CO -0.00 -1.07 0.06 1.67 -1.13 0.00 0.00 175.30 174.83 2ofe s TRP 75 N -2.09 0.72 0.07 5.89 1.48 -0.01 -3.56 118.94 121.45 2ofe s TRP 75 Ca 0.69 -1.14 -0.23 0.00 -1.06 0.00 0.00 56.10 54.37 2ofe s TRP 75 Cb -0.22 -0.41 0.06 0.00 -1.16 0.00 0.00 33.47 31.73 2ofe s TRP 75 CO 0.35 -0.50 0.54 0.00 -4.06 0.00 0.00 176.95 173.28 2ofe s ASP 77 N -2.16 -0.50 -0.06 0.00 2.15 -0.77 -4.72 116.67 110.60 2ofe s ASP 77 Ca -0.04 0.27 0.04 0.00 0.43 0.00 0.00 52.55 53.25 2ofe s ASP 77 Cb -0.00 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 43.13 2ofe s ASP 77 CO -0.04 -0.72 -0.17 -0.63 -0.17 0.00 0.00 175.17 173.44 2ofe s ILE 78 N -2.32 1.47 -0.12 4.11 1.01 -1.26 -1.02 121.20 123.07 2ofe s ILE 78 Ca -0.06 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.92 2ofe s ILE 78 Cb -0.01 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.18 2ofe s ILE 78 CO -0.00 0.43 -0.23 -0.69 0.00 0.00 0.00 174.94 174.44 2ofe s VAL 79 N 0.29 2.07 0.29 2.92 1.01 -0.74 -4.98 120.40 121.26 2ofe s VAL 79 Ca -0.10 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.89 2ofe s VAL 79 Cb -0.14 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.44 2ofe s VAL 79 CO 0.04 0.55 0.06 0.35 0.00 0.00 0.00 175.10 176.11 2ofe n THR 80 N 3.80 0.00 -3.18 3.92 -2.24 -1.26 -0.71 114.28 114.61 2ofe n THR 80 Ca -0.19 -1.28 -0.23 0.00 -2.27 0.00 0.00 64.05 60.07 2ofe n THR 80 Cb 0.52 0.12 0.03 0.00 -2.10 0.00 0.00 70.33 68.90 2ofe n THR 80 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ofe n ASN 81 N -1.38 -5.63 -4.72 3.42 3.02 -1.25 -4.88 115.26 103.83 2ofe n ASN 81 Ca -0.09 -0.35 -0.42 0.00 -0.03 0.00 0.00 54.58 53.69 2ofe n ASN 81 Cb 0.35 -4.55 -0.03 0.00 -0.61 0.00 0.00 39.78 34.94 2ofe n ASN 81 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ofe s LEU 82 N -6.74 4.37 0.71 3.41 1.43 -1.26 -5.02 118.68 115.59 2ofe s LEU 82 Ca 0.37 2.49 -0.11 0.00 -1.03 0.00 0.00 54.13 55.85 2ofe s LEU 82 Cb -0.17 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.47 2ofe s LEU 82 CO 0.45 -0.72 1.07 0.00 0.23 0.00 0.00 176.35 177.37 2ofe s ALA 83 N 0.93 2.60 0.55 4.21 0.00 -1.26 -4.93 121.76 123.86 2ofe s ALA 83 Ca 0.66 0.03 0.23 0.00 0.00 0.00 0.00 51.96 52.88 2ofe s ALA 83 Cb -0.40 -3.16 1.49 0.00 0.00 0.00 0.00 23.12 21.04 2ofe s ALA 83 CO 0.33 -1.32 2.13 0.00 0.00 0.00 0.00 175.76 176.90 2ofe h ALA 84 N -0.79 1.95 -0.25 0.00 0.00 -2.02 -0.82 119.26 117.34 2ofe h ALA 84 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2ofe h ALA 84 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2ofe h ALA 84 CO 0.57 -0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.25 2ofe n ASP 85 N -4.22 2.09 -4.05 0.00 5.75 -1.26 -4.42 116.55 110.44 2ofe n ASP 85 Ca 0.00 -1.82 -0.42 0.00 -0.01 0.00 0.00 54.79 52.54 2ofe n ASP 85 Cb 0.23 -0.16 -0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2ofe n ASP 85 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2ofe n GLU 86 N 0.60 4.08 -1.67 0.11 1.02 -0.31 -4.94 120.64 119.53 2ofe n GLU 86 Ca 0.16 -4.54 -0.29 0.00 -0.02 0.00 0.00 57.16 52.47 2ofe n GLU 86 Cb 0.38 -2.50 0.11 0.00 -0.02 0.00 0.00 31.44 29.42 2ofe n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2ofe s THR 87 N -2.38 2.11 0.24 2.62 -4.23 -1.26 -4.74 115.64 107.99 2ofe s THR 87 Ca 0.31 0.03 -0.05 0.00 -1.18 0.00 0.00 61.69 60.81 2ofe s THR 87 Cb 0.02 -2.88 0.20 0.00 1.34 0.00 0.00 72.50 71.18 2ofe s THR 87 CO 0.05 -0.04 1.78 1.23 -0.54 0.00 0.00 174.62 177.10 2ofe h GLY 88 N -1.30 1.19 1.96 3.99 0.00 -1.96 -1.91 103.07 105.05 2ofe h GLY 88 Ca -0.49 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 46.52 2ofe h GLY 88 CO 0.63 0.06 -0.35 0.00 0.00 0.00 0.00 176.54 176.88 2ofe h MET 89 N 0.66 0.05 0.09 4.80 -0.00 -1.94 0.43 114.93 119.02 2ofe h MET 89 Ca 0.39 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.70 60.07 2ofe h MET 89 Cb 0.43 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.03 2ofe h MET 89 CO -0.28 0.39 -0.04 0.28 -0.00 0.00 0.00 176.91 177.25 2ofe h VAL 90 N 0.04 1.10 -0.39 -0.10 2.07 -1.74 -2.98 116.25 114.25 2ofe h VAL 90 Ca 0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2ofe h VAL 90 Cb 0.64 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 2ofe h VAL 90 CO 0.05 0.18 0.25 0.40 0.02 0.00 0.00 177.57 178.47 2ofe h ILE 91 N -0.47 1.11 -0.73 4.57 1.08 -1.09 -2.79 117.51 119.19 2ofe h ILE 91 Ca -0.01 -0.22 0.04 0.00 -0.39 0.00 0.00 64.86 64.28 2ofe h ILE 91 Cb 0.39 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 34.65 2ofe h ILE 91 CO 0.02 0.11 0.45 -1.13 -0.69 0.00 0.00 178.15 176.91 2ofe h ASN 92 N 0.52 0.72 0.11 1.72 -0.73 -0.96 -1.84 115.58 115.12 2ofe h ASN 92 Ca 0.14 0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.25 2ofe h ASN 92 Cb -0.04 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.40 2ofe h ASN 92 CO -0.03 0.48 -0.25 -0.61 -0.37 0.00 0.00 177.43 176.65 2ofe h GLN 93 N 0.85 0.24 0.00 6.67 4.15 -1.39 -2.94 115.11 122.69 2ofe h GLN 93 Ca 0.31 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 2ofe h GLN 93 Cb 0.09 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 2ofe h GLN 93 CO -0.14 0.48 -0.02 1.96 -1.93 0.00 0.00 178.83 179.18 2ofe h GLN 94 N 0.22 0.00 0.00 1.69 4.20 -1.06 -1.85 115.11 118.31 2ofe h GLN 94 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2ofe h GLN 94 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2ofe h GLN 94 CO 0.04 0.02 0.00 0.66 -0.67 0.00 0.00 178.83 178.88 2ofe n TYR 95 N -3.61 0.00 -0.58 2.96 4.01 -1.11 -0.69 117.16 118.13 2ofe n TYR 95 Ca -0.03 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.74 2ofe n TYR 95 Cb 0.11 -0.37 0.04 0.00 -0.31 0.00 0.00 39.34 38.81 2ofe n TYR 95 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2ofe n TYR 96 N -1.37 0.00 0.00 -0.72 4.01 -0.70 -3.99 117.16 114.40 2ofe n TYR 96 Ca 0.04 -0.55 0.00 0.00 -0.16 0.00 0.00 57.90 57.23 2ofe n TYR 96 Cb 0.10 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 2ofe n TYR 96 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2ofe n SER 97 N -0.68 0.00 -4.68 7.72 7.64 -0.90 -5.08 113.62 117.64 2ofe n SER 97 Ca 0.05 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.56 2ofe n SER 97 Cb 0.43 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.55 2ofe n SER 97 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2ofe s GLN 98 N -1.00 4.16 0.17 1.43 0.74 0.13 -5.00 119.66 120.29 2ofe s GLN 98 Ca 0.00 0.02 -0.20 0.00 0.05 0.00 0.00 55.36 55.23 2ofe s GLN 98 Cb 0.00 -3.51 0.09 0.00 1.10 0.00 0.00 33.01 30.69 2ofe s GLN 98 CO 0.00 0.06 1.62 -0.22 -0.55 0.00 0.00 175.29 176.20 2ofe h LYS 99 N 7.26 -0.16 -0.35 1.67 3.64 -1.98 0.63 116.57 127.28 2ofe h LYS 99 Ca -0.38 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 58.96 2ofe h LYS 99 Cb 1.16 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2ofe h LYS 99 CO 0.71 -0.11 -0.02 -2.95 -2.27 0.00 0.00 179.45 174.81 2ofe h ASN 100 N -0.17 0.53 -0.18 4.20 -1.07 -1.95 -0.56 115.58 116.38 2ofe h ASN 100 Ca 0.19 -0.11 -0.13 0.00 0.07 0.00 0.00 56.30 56.32 2ofe h ASN 100 Cb 0.47 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 36.58 2ofe h ASN 100 CO -0.50 0.61 -0.41 0.03 0.07 0.00 0.00 177.43 177.23 2ofe h ARG 101 N 0.53 0.59 -0.53 4.14 3.08 -1.60 -2.22 114.38 118.38 2ofe h ARG 101 Ca 0.11 -0.40 0.03 0.00 0.07 0.00 0.00 59.98 59.79 2ofe h ARG 101 Cb 0.37 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 2ofe h ARG 101 CO 0.01 1.01 0.31 0.93 -1.07 0.00 0.00 179.97 181.17 2ofe h GLU 102 N 0.25 0.60 -0.64 0.04 5.08 -0.61 -1.68 114.58 117.61 2ofe h GLU 102 Ca -0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2ofe h GLU 102 Cb 1.01 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 2ofe h GLU 102 CO 0.09 0.40 0.26 0.93 -1.00 0.00 0.00 179.01 179.68 2ofe h GLU 103 N 0.62 0.94 -0.15 2.33 5.08 -1.10 -0.29 114.58 122.00 2ofe h GLU 103 Ca 0.21 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2ofe h GLU 103 Cb 0.03 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2ofe h GLU 103 CO -0.10 0.77 0.09 0.00 -1.00 0.00 0.00 179.01 178.77 2ofe h ALA 104 N 1.35 0.19 -0.43 3.43 0.00 -0.90 -2.14 119.26 120.76 2ofe h ALA 104 Ca 0.22 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2ofe h ALA 104 Cb 0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2ofe h ALA 104 CO -0.02 -0.34 0.20 -0.09 0.00 0.00 0.00 179.25 179.00 2ofe h ARG 105 N 0.18 0.39 0.00 0.00 2.43 -0.90 -2.63 114.38 113.86 2ofe h ARG 105 Ca 0.06 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2ofe h ARG 105 Cb -0.00 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2ofe h ARG 105 CO -0.03 0.26 -0.02 0.93 -1.51 0.00 0.00 179.97 179.60 2ofe h GLU 106 N 0.41 0.00 0.00 0.20 5.08 -0.76 -1.70 114.58 117.81 2ofe h GLU 106 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2ofe h GLU 106 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2ofe h GLU 106 CO -0.15 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 177.88 2ofe h ARG 107 N 0.00 0.00 -6.17 2.33 3.08 -1.00 -3.47 114.38 109.15 2ofe h ARG 107 Ca -0.00 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.62 2ofe h ARG 107 Cb 0.25 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.33 2ofe h ARG 107 CO 0.00 0.00 -0.85 1.04 -1.07 0.00 0.00 179.97 179.09 2ofe n GLN 108 N -2.89 -4.30 -2.54 0.04 6.02 -0.64 -4.90 117.38 108.18 2ofe n GLN 108 Ca 0.00 0.57 -0.41 0.00 -0.01 0.00 0.00 57.00 57.15 2ofe n GLN 108 Cb 0.25 -4.99 -0.04 0.00 1.02 0.00 0.00 30.24 26.48 2ofe n GLN 108 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ofe s LEU 109 N -6.70 4.50 0.00 1.08 1.43 -1.23 -4.72 118.68 113.03 2ofe s LEU 109 Ca 0.03 2.07 0.27 0.00 -1.03 0.00 0.00 54.13 55.46 2ofe s LEU 109 Cb -0.01 -3.60 0.79 0.00 0.03 0.00 0.00 46.19 43.40 2ofe s LEU 109 CO 0.83 -0.20 1.62 -1.54 0.23 0.00 0.00 176.35 177.29 2ofe n SER 110 N 2.35 0.33 -3.59 2.29 3.41 -1.26 -3.67 113.62 113.47 2ofe n SER 110 Ca 0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.49 2ofe n SER 110 Cb 0.46 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 2ofe n SER 110 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2ofe s ASN 111 N -2.98 -0.71 -0.16 4.04 2.20 -1.26 -0.67 114.94 115.41 2ofe s ASN 111 Ca 0.13 1.18 -0.18 0.00 -0.94 0.00 0.00 52.86 53.05 2ofe s ASN 111 Cb 0.18 1.13 0.05 0.00 -2.00 0.00 0.00 41.25 40.61 2ofe s ASN 111 CO 0.63 -0.37 0.50 -0.47 -2.94 0.00 0.00 177.10 174.45 2ofe s TYR 112 N -0.16 -0.52 0.02 1.54 5.04 -0.53 -5.00 117.35 117.74 2ofe s TYR 112 Ca -0.04 1.21 -0.03 0.00 -2.44 0.00 0.00 57.07 55.78 2ofe s TYR 112 Cb -0.03 0.20 -0.01 0.00 0.35 0.00 0.00 41.96 42.46 2ofe s TYR 112 CO 0.04 -0.31 0.03 -1.83 -1.34 0.00 0.00 175.55 172.15 2ofe s GLU 113 N -0.03 0.39 0.05 4.97 -1.05 -1.26 -0.42 118.70 121.35 2ofe s GLU 113 Ca -0.02 -0.56 -0.17 0.00 -0.15 0.00 0.00 54.97 54.07 2ofe s GLU 113 Cb -0.03 0.15 0.03 0.00 -0.44 0.00 0.00 34.13 33.84 2ofe s GLU 113 CO 0.02 -0.08 0.38 0.54 0.95 0.00 0.00 175.26 177.07 2ofe s VAL 114 N -1.54 0.06 -0.01 1.83 0.11 -0.66 -5.00 120.40 115.19 2ofe s VAL 114 Ca -0.15 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.38 2ofe s VAL 114 Cb -0.08 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 2ofe s VAL 114 CO -0.00 -0.29 0.02 -0.54 -3.33 0.00 0.00 175.10 170.95 2ofe s LYS 115 N -2.60 2.86 0.77 1.54 1.02 -1.26 -1.26 119.74 120.82 2ofe s LYS 115 Ca -0.04 -0.56 -0.11 0.00 0.02 0.00 0.00 55.97 55.27 2ofe s LYS 115 Cb -0.01 -2.72 0.17 0.00 -0.52 0.00 0.00 37.83 34.76 2ofe s LYS 115 CO -0.03 0.64 1.06 0.27 -0.92 0.00 0.00 175.35 176.36 2ofe n ASN 116 N 1.45 0.28 0.27 2.83 0.23 -0.58 -4.92 115.26 114.83 2ofe n ASN 116 Ca -0.15 -1.50 0.15 0.00 -0.53 0.00 0.00 54.58 52.55 2ofe n ASN 116 Cb 0.53 -0.79 0.77 0.00 -2.08 0.00 0.00 39.78 38.21 2ofe n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ofe h ALA 117 N -1.59 1.14 -0.01 -2.53 0.00 -1.97 -1.31 119.26 112.99 2ofe h ALA 117 Ca -0.34 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2ofe h ALA 117 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2ofe h ALA 117 CO 0.26 0.11 -0.14 1.63 0.00 0.00 0.00 179.25 181.10 2ofe n LYS 118 N -3.39 1.00 -0.41 0.00 5.02 -1.26 -4.94 118.16 114.17 2ofe n LYS 118 Ca -0.01 -0.51 0.00 0.00 -2.02 0.00 0.00 58.31 55.77 2ofe n LYS 118 Cb 0.25 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2ofe n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ofe n GLY 119 N 1.27 0.77 3.73 0.72 0.00 -0.49 -5.06 105.19 106.12 2ofe n GLY 119 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2ofe n GLY 119 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ofe s ARG 120 N -0.59 4.65 0.17 1.61 3.52 -1.26 -4.79 118.95 122.26 2ofe s ARG 120 Ca 0.00 1.49 -0.16 0.00 -0.13 0.00 0.00 55.73 56.93 2ofe s ARG 120 Cb 0.00 -3.38 -0.07 0.00 -1.56 0.00 0.00 34.95 29.94 2ofe s ARG 120 CO 0.00 0.13 0.60 1.21 -0.81 0.00 0.00 175.30 176.43 2ofe s ASN 121 N 0.21 6.88 -0.03 -2.12 2.47 -1.26 -1.53 114.94 119.56 2ofe s ASN 121 Ca 0.49 1.17 0.02 0.00 0.42 0.00 0.00 52.86 54.95 2ofe s ASN 121 Cb -0.24 -2.32 0.01 0.00 -1.45 0.00 0.00 41.25 37.25 2ofe s ASN 121 CO 0.30 0.07 -0.07 -0.36 -3.72 0.00 0.00 177.10 173.32 2ofe s PHE 122 N -1.51 0.82 0.00 0.43 0.40 -0.39 -0.42 117.98 117.32 2ofe s PHE 122 Ca 0.40 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.53 2ofe s PHE 122 Cb -0.15 -0.62 -0.01 0.00 0.51 0.00 0.00 43.02 42.75 2ofe s PHE 122 CO 0.20 -0.12 -0.04 -2.00 0.70 0.00 0.00 175.22 173.96 2ofe s GLU 123 N 0.37 0.33 -0.11 0.44 2.12 -0.31 -1.66 118.70 119.89 2ofe s GLU 123 Ca -0.05 -0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.04 2ofe s GLU 123 Cb -0.10 -0.27 -0.02 0.00 0.26 0.00 0.00 34.13 34.00 2ofe s GLU 123 CO 0.00 0.07 -0.12 0.42 -0.54 0.00 0.00 175.26 175.10 2ofe s ILE 124 N -0.33 3.21 -0.11 -3.70 1.01 0.43 -0.23 121.20 121.48 2ofe s ILE 124 Ca -0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 2ofe s ILE 124 Cb -0.03 -2.33 0.03 0.00 0.01 0.00 0.00 42.46 40.14 2ofe s ILE 124 CO -0.00 0.54 -0.02 -0.69 0.00 0.00 0.00 174.94 174.77 2ofe s VAL 125 N 0.03 0.69 -0.35 2.92 1.01 -0.24 -1.45 120.40 123.01 2ofe s VAL 125 Ca -0.04 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 2ofe s VAL 125 Cb -0.14 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.39 2ofe s VAL 125 CO 0.04 0.21 1.23 -0.31 0.00 0.00 0.00 175.10 176.27 2ofe s TYR 126 N 1.83 2.79 -0.38 5.22 1.51 0.16 -0.24 117.35 128.24 2ofe s TYR 126 Ca 0.04 0.90 0.23 0.00 -1.01 0.00 0.00 57.07 57.22 2ofe s TYR 126 Cb -0.13 -4.00 0.19 0.00 -0.11 0.00 0.00 41.96 37.90 2ofe s TYR 126 CO -0.07 -1.44 1.30 1.79 -1.11 0.00 0.00 175.55 176.03 2ofe h THR 127 N 6.02 0.00 -3.38 -0.71 1.35 -1.05 -3.39 112.91 111.75 2ofe h THR 127 Ca -0.24 -0.91 -0.60 0.00 -0.55 0.00 0.00 66.41 64.10 2ofe h THR 127 Cb 1.08 1.61 -0.40 0.00 -1.73 0.00 0.00 68.15 68.72 2ofe h THR 127 CO 1.06 0.00 -0.75 -1.61 -0.25 0.00 0.00 175.52 173.97 2ofe s GLU 128 N -3.28 1.05 0.00 4.72 2.02 -0.86 -4.95 118.70 117.40 2ofe s GLU 128 Ca 0.03 -1.22 0.08 0.00 0.02 0.00 0.00 54.97 53.88 2ofe s GLU 128 Cb 0.09 -2.40 0.14 0.00 0.10 0.00 0.00 34.13 32.05 2ofe s GLU 128 CO 0.73 -0.89 0.97 0.00 0.02 0.00 0.00 175.26 176.09 2ofe n ALA 129 N 4.68 2.30 -2.37 5.21 0.00 -1.26 -1.39 120.51 127.67 2ofe n ALA 129 Ca -0.03 -0.84 -0.10 0.00 0.00 0.00 0.00 53.44 52.47 2ofe n ALA 129 Cb 0.43 -0.28 -0.10 0.00 0.00 0.00 0.00 19.45 19.49 2ofe n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ofe s GLU 130 N -0.83 0.65 1.68 0.00 0.41 -1.26 -4.73 118.70 114.62 2ofe s GLU 130 Ca 0.13 -1.11 0.00 0.00 -0.41 0.00 0.00 54.97 53.58 2ofe s GLU 130 Cb 0.07 -0.06 0.00 0.00 -1.78 0.00 0.00 34.13 32.37 2ofe s GLU 130 CO 0.10 -0.04 0.00 0.41 -0.49 0.00 0.00 175.26 175.25 2ofe n GLY 131 N 0.47 -1.66 0.10 -1.39 0.00 -1.26 -4.52 105.19 96.94 2ofe n GLY 131 Ca -0.16 -1.37 0.11 0.00 0.00 0.00 0.00 46.02 44.60 2ofe n GLY 131 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ofe n ASN 132 N 0.23 0.97 -3.97 1.61 4.13 -1.26 -4.62 115.26 112.34 2ofe n ASN 132 Ca 0.00 -0.79 -0.31 0.00 1.68 0.00 0.00 54.58 55.15 2ofe n ASN 132 Cb 0.00 0.55 -0.13 0.00 -1.54 0.00 0.00 39.78 38.67 2ofe n ASN 132 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2ofe s ASP 133 N -2.86 4.59 -0.04 6.41 3.68 -1.26 -0.98 116.67 126.20 2ofe s ASP 133 Ca 0.13 -3.12 -0.04 0.00 2.13 0.00 0.00 52.55 51.65 2ofe s ASP 133 Cb 0.17 -1.69 -0.04 0.00 -1.45 0.00 0.00 42.92 39.92 2ofe s ASP 133 CO 0.72 -0.23 0.17 -0.76 0.13 0.00 0.00 175.17 175.20 2ofe s LEU 134 N -0.43 4.38 -0.04 -1.34 1.43 0.31 -4.85 118.68 118.13 2ofe s LEU 134 Ca 0.18 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 2ofe s LEU 134 Cb -0.22 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.56 2ofe s LEU 134 CO -0.03 0.31 -0.06 -1.00 0.23 0.00 0.00 176.35 175.80 2ofe s HIS 135 N -1.23 0.80 0.02 0.29 3.76 -0.49 -0.62 115.29 117.82 2ofe s HIS 135 Ca 0.24 -0.22 0.03 0.00 -0.15 0.00 0.00 55.06 54.96 2ofe s HIS 135 Cb -0.12 -0.66 -0.02 0.00 1.11 0.00 0.00 32.58 32.89 2ofe s HIS 135 CO 0.14 -0.16 -0.10 0.00 -0.85 0.00 0.00 174.74 173.77 2ofe s ALA 136 N 0.66 0.79 -0.09 -1.40 0.00 -0.01 -0.39 121.76 121.32 2ofe s ALA 136 Ca -0.09 -0.62 -0.14 0.00 0.00 0.00 0.00 51.96 51.11 2ofe s ALA 136 Cb -0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 2ofe s ALA 136 CO 0.01 0.13 0.35 -0.80 0.00 0.00 0.00 175.76 175.44 2ofe s ASN 137 N -0.91 6.61 -0.31 0.00 0.01 0.67 -1.22 114.94 119.79 2ofe s ASN 137 Ca -0.01 0.72 -0.07 0.00 -0.71 0.00 0.00 52.86 52.79 2ofe s ASN 137 Cb -0.07 -2.21 0.02 0.00 0.41 0.00 0.00 41.25 39.40 2ofe s ASN 137 CO 0.00 0.21 0.10 -0.22 -1.51 0.00 0.00 177.10 175.69 2ofe s LEU 138 N -0.28 4.05 -0.25 0.60 2.96 0.59 -1.07 118.68 125.28 2ofe s LEU 138 Ca 0.20 -0.81 -0.05 0.00 -0.22 0.00 0.00 54.13 53.26 2ofe s LEU 138 Cb -0.15 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.64 2ofe s LEU 138 CO 0.08 -0.24 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.24 2ofe s ILE 139 N 1.50 3.53 -0.22 6.68 1.01 0.68 -0.14 121.20 134.24 2ofe s ILE 139 Ca 0.02 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 2ofe s ILE 139 Cb -0.18 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 2ofe s ILE 139 CO 0.03 0.29 0.17 -0.63 0.00 0.00 0.00 174.94 174.80 2ofe s ILE 140 N 1.47 5.37 -2.62 2.92 1.01 0.28 -1.16 121.20 128.48 2ofe s ILE 140 Ca 0.04 0.24 0.27 0.00 0.00 0.00 0.00 60.65 61.20 2ofe s ILE 140 Cb -0.15 -3.51 0.47 0.00 0.01 0.00 0.00 42.46 39.27 2ofe s ILE 140 CO -0.01 0.38 1.63 0.61 0.00 0.00 0.00 174.94 177.55