#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yyh s PHE 3 N 0.00 2.95 -0.92 1.61 5.36 -1.26 -4.95 117.98 120.76 2yyh s PHE 3 Ca 0.00 0.42 -0.05 0.00 -0.96 0.00 0.00 56.93 56.34 2yyh s PHE 3 Cb 0.00 -3.91 0.06 0.00 -0.34 0.00 0.00 43.02 38.82 2yyh s PHE 3 CO 0.00 -1.06 2.66 0.09 -1.46 0.00 0.00 175.22 175.45 2yyh n ASN 4 N 7.09 7.32 -4.10 6.13 5.03 -1.26 -4.91 115.26 130.56 2yyh n ASN 4 Ca 0.06 -3.08 -0.26 0.00 0.87 0.00 0.00 54.58 52.17 2yyh n ASN 4 Cb 0.48 -1.33 -0.16 0.00 -1.02 0.00 0.00 39.78 37.75 2yyh n ASN 4 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2yyh s VAL 5 N -1.18 1.39 -0.05 2.41 1.01 -1.26 -5.13 120.40 117.59 2yyh s VAL 5 Ca 0.58 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.96 2yyh s VAL 5 Cb 0.27 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2yyh s VAL 5 CO -0.13 0.41 -0.20 -0.54 0.00 0.00 0.00 175.10 174.64 2yyh s LYS 6 N 0.37 2.46 0.35 2.72 -0.14 -1.26 -5.13 119.74 119.12 2yyh s LYS 6 Ca -0.11 -0.80 0.05 0.00 -1.36 0.00 0.00 55.97 53.75 2yyh s LYS 6 Cb -0.14 -2.26 -0.03 0.00 -1.68 0.00 0.00 37.83 33.72 2yyh s LYS 6 CO 0.04 0.53 0.21 0.95 -0.76 0.00 0.00 175.35 176.32 2yyh s THR 7 N -0.51 0.25 0.99 2.17 -4.23 -1.26 -5.14 115.64 107.90 2yyh s THR 7 Ca 0.07 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.46 2yyh s THR 7 Cb -0.11 -2.44 0.18 0.00 1.34 0.00 0.00 72.50 71.47 2yyh s THR 7 CO 0.01 0.00 1.08 -2.84 -0.54 0.00 0.00 174.62 172.33 2yyh s PRO 8 N -3.61 0.48 0.46 3.99 0.02 -1.26 -4.98 135.00 130.10 2yyh s PRO 8 Ca 0.34 0.85 -0.20 0.00 0.02 0.00 0.00 61.00 62.02 2yyh s PRO 8 Cb 0.03 -1.72 -0.10 0.00 0.02 0.00 0.00 34.50 32.73 2yyh s PRO 8 CO 0.21 -2.79 0.97 -0.51 -0.33 0.00 0.00 177.00 174.55 2yyh s LEU 9 N -6.58 3.84 -0.18 -5.54 1.43 0.17 -4.87 118.68 106.94 2yyh s LEU 9 Ca 0.65 1.67 -0.05 0.00 -1.03 0.00 0.00 54.13 55.38 2yyh s LEU 9 Cb -0.21 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.46 2yyh s LEU 9 CO 0.59 -0.46 -0.01 -0.22 0.23 0.00 0.00 176.35 176.49 2yyh s LEU 10 N -3.47 3.31 0.24 1.79 2.96 -1.26 -0.81 118.68 121.44 2yyh s LEU 10 Ca 0.61 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 2yyh s LEU 10 Cb -0.10 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 2yyh s LEU 10 CO 0.19 0.12 0.09 0.00 -1.32 0.00 0.00 176.35 175.42 2yyh s ALA 11 N 0.69 1.60 -0.02 5.97 0.00 -0.24 -1.37 121.76 128.38 2yyh s ALA 11 Ca -0.01 -1.81 -0.03 0.00 0.00 0.00 0.00 51.96 50.12 2yyh s ALA 11 Cb -0.14 1.02 0.01 0.00 0.00 0.00 0.00 23.12 24.00 2yyh s ALA 11 CO 0.02 -0.46 0.08 -0.08 0.00 0.00 0.00 175.76 175.32 2yyh s THR 12 N -3.79 0.01 0.17 0.00 -1.32 0.14 -1.29 115.64 109.55 2yyh s THR 12 Ca 0.36 -0.09 0.07 0.00 -1.21 0.00 0.00 61.69 60.81 2yyh s THR 12 Cb 0.07 -0.14 -0.04 0.00 -1.51 0.00 0.00 72.50 70.88 2yyh s THR 12 CO 0.12 -0.05 -0.14 -1.81 -2.21 0.00 0.00 174.62 170.53 2yyh s ASP 13 N -0.12 2.27 -0.02 8.08 1.01 -0.80 -1.21 116.67 125.87 2yyh s ASP 13 Ca -0.02 -0.95 0.02 0.00 0.71 0.00 0.00 52.55 52.31 2yyh s ASP 13 Cb -0.01 -0.09 0.00 0.00 1.01 0.00 0.00 42.92 43.82 2yyh s ASP 13 CO 0.00 -0.19 -0.07 -0.69 0.21 0.00 0.00 175.17 174.43 2yyh s VAL 14 N -2.77 0.60 -0.59 -1.27 1.01 -0.97 -1.13 120.40 115.29 2yyh s VAL 14 Ca 0.17 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 2yyh s VAL 14 Cb -0.01 -0.54 0.10 0.00 0.00 0.00 0.00 36.38 35.92 2yyh s VAL 14 CO 0.04 0.19 0.72 -0.63 0.00 0.00 0.00 175.10 175.42 2yyh s ILE 15 N 0.14 4.79 -0.35 2.22 1.01 0.14 -4.29 121.20 124.85 2yyh s ILE 15 Ca -0.02 -0.91 -0.21 0.00 0.00 0.00 0.00 60.65 59.52 2yyh s ILE 15 Cb -0.07 -4.49 0.00 0.00 0.01 0.00 0.00 42.46 37.92 2yyh s ILE 15 CO -0.00 -1.13 0.65 -0.63 0.00 0.00 0.00 174.94 173.83 2yyh s ILE 16 N 2.79 4.88 -0.37 2.92 1.01 -1.26 -0.93 121.20 130.23 2yyh s ILE 16 Ca 0.13 0.63 -0.25 0.00 0.00 0.00 0.00 60.65 61.16 2yyh s ILE 16 Cb -0.23 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.17 2yyh s ILE 16 CO 0.07 -0.31 0.87 -0.13 0.00 0.00 0.00 174.94 175.45 2yyh s ARG 17 N 2.73 3.78 -0.01 2.79 0.52 0.23 -2.21 118.95 126.78 2yyh s ARG 17 Ca 0.25 0.44 -0.19 0.00 -0.52 0.00 0.00 55.73 55.72 2yyh s ARG 17 Cb -0.14 -3.82 -0.05 0.00 0.52 0.00 0.00 34.95 31.45 2yyh s ARG 17 CO 0.15 -0.94 0.54 -1.17 0.02 0.00 0.00 175.30 173.90 2yyh s LEU 18 N 3.36 4.43 0.06 2.53 2.96 0.25 -1.88 118.68 130.39 2yyh s LEU 18 Ca 0.36 1.09 0.06 0.00 -0.22 0.00 0.00 54.13 55.42 2yyh s LEU 18 Cb -0.12 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 2yyh s LEU 18 CO 0.19 0.16 -0.16 0.26 -1.32 0.00 0.00 176.35 175.48 2yyh s TRP 19 N -0.41 1.41 -0.62 5.38 0.52 0.31 -1.06 118.94 124.47 2yyh s TRP 19 Ca 0.28 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 56.05 2yyh s TRP 19 Cb -0.18 -0.81 0.16 0.00 -1.15 0.00 0.00 33.47 31.50 2yyh s TRP 19 CO 0.16 0.08 0.42 0.34 0.02 0.00 0.00 176.95 177.97 2yyh s ASP 20 N -1.49 4.32 0.78 2.95 2.15 -0.31 -3.91 116.67 121.15 2yyh s ASP 20 Ca 0.02 -3.54 0.00 0.00 0.43 0.00 0.00 52.55 49.46 2yyh s ASP 20 Cb -0.09 -1.48 0.00 0.00 -0.30 0.00 0.00 42.92 41.05 2yyh s ASP 20 CO 0.02 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.50 2yyh n GLY 21 N 2.38 0.34 1.01 2.66 0.00 -1.26 -2.45 105.19 107.87 2yyh n GLY 21 Ca 0.17 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.51 2yyh n GLY 21 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2yyh n GLU 22 N 12.03 2.47 -3.42 1.61 0.28 -1.26 -4.82 120.64 127.53 2yyh n GLU 22 Ca 0.00 -1.79 -0.42 0.00 -0.16 0.00 0.00 57.16 54.79 2yyh n GLU 22 Cb 0.00 -1.53 -0.10 0.00 1.43 0.00 0.00 31.44 31.24 2yyh n GLU 22 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2yyh s ASN 23 N -0.87 6.14 -0.00 -1.84 0.01 -1.03 -5.06 114.94 112.30 2yyh s ASN 23 Ca 0.33 -0.52 -0.30 0.00 -0.71 0.00 0.00 52.86 51.65 2yyh s ASN 23 Cb 0.19 -2.18 -0.05 0.00 0.41 0.00 0.00 41.25 39.62 2yyh s ASN 23 CO 0.19 -0.40 1.27 0.12 -1.51 0.00 0.00 177.10 176.76 2yyh s PHE 24 N 1.91 3.16 -0.07 2.20 5.36 -1.26 -1.16 117.98 128.12 2yyh s PHE 24 Ca 0.09 1.11 0.20 0.00 -0.96 0.00 0.00 56.93 57.37 2yyh s PHE 24 Cb -0.17 -3.50 -0.30 0.00 -0.34 0.00 0.00 43.02 38.70 2yyh s PHE 24 CO 0.12 -1.69 0.46 1.63 -1.46 0.00 0.00 175.22 174.27 2yyh n LYS 25 N 4.87 0.60 0.00 10.12 4.76 -0.23 -4.97 118.16 133.32 2yyh n LYS 25 Ca 0.11 -0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2yyh n LYS 25 Cb 0.45 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 2yyh n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2yyh n GLY 26 N 1.37 0.47 3.49 0.72 0.00 -1.24 -4.16 105.19 105.84 2yyh n GLY 26 Ca -0.03 -2.06 -0.25 0.00 0.00 0.00 0.00 46.02 43.67 2yyh n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2yyh s ILE 27 N -0.74 2.67 -0.25 -0.61 -4.36 -0.46 -0.58 121.20 116.86 2yyh s ILE 27 Ca 0.00 -2.11 -0.17 0.00 -0.26 0.00 0.00 60.65 58.11 2yyh s ILE 27 Cb 0.00 -2.35 -0.03 0.00 1.25 0.00 0.00 42.46 41.33 2yyh s ILE 27 CO 0.00 -0.26 0.48 -0.69 0.24 0.00 0.00 174.94 174.72 2yyh s VAL 28 N -2.08 5.10 0.24 8.37 1.01 -0.94 -0.66 120.40 131.42 2yyh s VAL 28 Ca 0.26 0.82 0.10 0.00 0.00 0.00 0.00 61.98 63.17 2yyh s VAL 28 Cb -0.07 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2yyh s VAL 28 CO 0.14 0.11 -0.12 -0.76 0.00 0.00 0.00 175.10 174.47 2yyh s LEU 29 N 2.16 2.85 0.17 3.92 1.43 -0.15 -4.46 118.68 124.60 2yyh s LEU 29 Ca 0.20 -0.77 0.10 0.00 -1.03 0.00 0.00 54.13 52.63 2yyh s LEU 29 Cb -0.16 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 2yyh s LEU 29 CO 0.09 0.06 -0.15 -0.63 0.23 0.00 0.00 176.35 175.95 2yyh s ILE 30 N -2.11 2.90 -0.44 -0.59 -1.09 0.23 -2.12 121.20 117.98 2yyh s ILE 30 Ca 0.28 -1.73 -0.12 0.00 -2.23 0.00 0.00 60.65 56.85 2yyh s ILE 30 Cb -0.07 -2.41 0.08 0.00 -1.58 0.00 0.00 42.46 38.48 2yyh s ILE 30 CO 0.16 -0.07 0.31 -1.61 -1.23 0.00 0.00 174.94 172.50 2yyh s GLU 31 N -2.66 2.75 0.14 2.79 0.41 0.50 -0.76 118.70 121.89 2yyh s GLU 31 Ca 0.22 -1.42 -0.31 0.00 -0.41 0.00 0.00 54.97 53.06 2yyh s GLU 31 Cb -0.09 -3.92 -0.10 0.00 -1.78 0.00 0.00 34.13 28.24 2yyh s GLU 31 CO 0.13 -0.98 1.72 1.03 -0.49 0.00 0.00 175.26 176.66 2yyh s ARG 32 N 1.51 4.16 0.23 1.61 0.52 0.18 -1.26 118.95 125.89 2yyh s ARG 32 Ca 0.03 2.50 0.23 0.00 -0.52 0.00 0.00 55.73 57.98 2yyh s ARG 32 Cb -0.23 -3.37 0.14 0.00 0.52 0.00 0.00 34.95 32.00 2yyh s ARG 32 CO 0.04 -0.75 1.20 -0.22 0.02 0.00 0.00 175.30 175.59 2yyh h LYS 33 N 7.72 0.00 -5.94 3.54 3.64 -0.44 -3.36 116.57 121.73 2yyh h LYS 33 Ca -0.44 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.36 2yyh h LYS 33 Cb 1.21 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.93 2yyh h LYS 33 CO 0.94 0.00 -0.57 0.71 -2.27 0.00 0.00 179.45 178.26 2yyh s TYR 34 N -3.30 2.58 0.00 1.91 2.02 -1.26 -5.00 117.35 114.31 2yyh s TYR 34 Ca 0.02 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 2yyh s TYR 34 Cb 0.10 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 2yyh s TYR 34 CO 0.75 0.36 0.00 -2.30 -1.57 0.00 0.00 175.55 172.79 2yyh n PRO 35 N -1.07 0.00 -1.93 -1.71 -0.02 -1.26 -2.84 135.00 126.17 2yyh n PRO 35 Ca -0.03 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.21 2yyh n PRO 35 Cb 0.64 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.05 2yyh n PRO 35 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2yyh s PRO 36 N 0.00 2.20 0.13 0.52 0.02 -1.26 -4.87 135.00 131.75 2yyh s PRO 36 Ca 0.00 -0.56 -0.30 0.00 0.02 0.00 0.00 61.00 60.16 2yyh s PRO 36 Cb 0.00 -5.09 -0.07 0.00 0.02 0.00 0.00 34.50 29.37 2yyh s PRO 36 CO 0.00 -4.07 1.13 0.08 -0.33 0.00 0.00 177.00 173.81 2yyh s VAL 37 N 12.09 3.95 -5.00 3.83 1.01 -1.13 -4.78 120.40 130.37 2yyh s VAL 37 Ca 0.74 1.56 0.00 0.00 0.00 0.00 0.00 61.98 64.28 2yyh s VAL 37 Cb -0.05 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2yyh s VAL 37 CO 0.09 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2yyh n GLY 38 N 2.48 -0.45 3.79 4.51 0.00 -1.26 -4.92 105.19 109.35 2yyh n GLY 38 Ca 0.05 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 2yyh n GLY 38 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2yyh s LEU 39 N 0.00 4.54 0.14 0.99 2.96 -1.06 -0.65 118.68 125.60 2yyh s LEU 39 Ca 0.00 1.57 -0.25 0.00 -0.22 0.00 0.00 54.13 55.23 2yyh s LEU 39 Cb 0.00 -3.31 0.07 0.00 0.50 0.00 0.00 46.19 43.45 2yyh s LEU 39 CO 0.00 0.18 1.02 0.00 -1.32 0.00 0.00 176.35 176.23 2yyh s ALA 40 N -1.22 -1.71 0.59 5.97 0.00 0.06 -0.90 121.76 124.56 2yyh s ALA 40 Ca 0.36 0.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.26 2yyh s ALA 40 Cb -0.22 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 2yyh s ALA 40 CO 0.24 -1.05 1.06 -0.51 0.00 0.00 0.00 175.76 175.51 2yyh s LEU 41 N -3.04 3.51 0.42 0.00 1.43 -1.26 0.74 118.68 120.48 2yyh s LEU 41 Ca 0.14 1.84 -0.22 0.00 -1.03 0.00 0.00 54.13 54.87 2yyh s LEU 41 Cb -0.01 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.57 2yyh s LEU 41 CO 0.02 -1.18 0.97 -2.16 0.23 0.00 0.00 176.35 174.23 2yyh s PRO 42 N -4.02 4.22 0.00 1.29 0.04 -1.26 -4.70 135.00 130.56 2yyh s PRO 42 Ca 0.64 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2yyh s PRO 42 Cb -0.16 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.10 2yyh s PRO 42 CO 0.36 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.76 2yyh n GLY 43 N -0.36 0.54 3.44 0.56 0.00 -1.26 -2.28 105.19 105.83 2yyh n GLY 43 Ca 0.06 -1.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.04 2yyh n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yyh n GLY 44 N -0.44 0.79 3.78 -0.02 0.00 -0.35 -4.98 105.19 103.96 2yyh n GLY 44 Ca 0.00 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 2yyh n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2yyh s PHE 45 N -2.60 3.42 0.11 1.61 0.08 -1.26 -0.69 117.98 118.65 2yyh s PHE 45 Ca 0.19 1.69 -0.29 0.00 0.12 0.00 0.00 56.93 58.64 2yyh s PHE 45 Cb -0.03 -3.06 -0.06 0.00 -0.57 0.00 0.00 43.02 39.30 2yyh s PHE 45 CO 0.07 -0.34 0.90 0.08 -0.10 0.00 0.00 175.22 175.83 2yyh s VAL 46 N -1.64 4.50 0.33 -0.44 1.01 -0.47 -4.87 120.40 118.82 2yyh s VAL 46 Ca 0.55 1.95 -0.17 0.00 0.00 0.00 0.00 61.98 64.31 2yyh s VAL 46 Cb -0.21 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 31.81 2yyh s VAL 46 CO 0.27 0.36 0.78 -1.61 0.00 0.00 0.00 175.10 174.89 2yyh s GLU 47 N -0.20 4.09 0.26 2.72 2.02 -1.26 -4.90 118.70 121.43 2yyh s GLU 47 Ca 0.44 0.79 -0.30 0.00 0.02 0.00 0.00 54.97 55.91 2yyh s GLU 47 Cb -0.23 -2.46 -0.11 0.00 0.10 0.00 0.00 34.13 31.43 2yyh s GLU 47 CO 0.28 0.16 1.56 0.08 0.02 0.00 0.00 175.26 177.36 2yyh s VAL 48 N -1.95 2.28 0.00 2.63 1.01 -1.26 -1.28 120.40 121.84 2yyh s VAL 48 Ca 0.54 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2yyh s VAL 48 Cb -0.11 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2yyh s VAL 48 CO 0.17 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2yyh n GLY 49 N 2.51 0.78 3.47 4.51 0.00 -1.26 -5.04 105.19 110.16 2yyh n GLY 49 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2yyh n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yyh s GLU 50 N -0.30 2.75 0.44 1.61 2.12 -0.40 -5.11 118.70 119.81 2yyh s GLU 50 Ca 0.00 -0.66 -0.23 0.00 0.36 0.00 0.00 54.97 54.44 2yyh s GLU 50 Cb 0.00 -2.48 -0.08 0.00 0.26 0.00 0.00 34.13 31.83 2yyh s GLU 50 CO 0.00 0.54 1.09 1.03 -0.54 0.00 0.00 175.26 177.38 2yyh s ARG 51 N -0.50 3.93 0.25 4.30 0.52 -1.26 -4.70 118.95 121.49 2yyh s ARG 51 Ca 0.07 1.57 -0.03 0.00 -0.52 0.00 0.00 55.73 56.82 2yyh s ARG 51 Cb -0.12 -2.39 0.44 0.00 0.52 0.00 0.00 34.95 33.40 2yyh s ARG 51 CO 0.02 -0.35 1.81 0.28 0.02 0.00 0.00 175.30 177.08 2yyh h VAL 52 N 1.93 0.90 0.00 3.52 2.07 -1.99 -0.77 116.25 121.91 2yyh h VAL 52 Ca -0.49 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 2yyh h VAL 52 Cb 1.23 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2yyh h VAL 52 CO 0.61 0.15 -0.29 -0.33 0.02 0.00 0.00 177.57 177.72 2yyh h GLU 53 N 0.83 0.00 -0.16 1.57 3.07 -2.00 -1.66 114.58 116.23 2yyh h GLU 53 Ca 0.42 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.07 2yyh h GLU 53 Cb 0.40 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.32 2yyh h GLU 53 CO -0.26 0.29 -0.74 0.93 -1.40 0.00 0.00 179.01 177.84 2yyh h GLU 54 N 0.00 0.75 -0.36 2.33 5.08 -1.56 -2.40 114.58 118.41 2yyh h GLU 54 Ca -0.00 -0.59 -0.08 0.00 -1.00 0.00 0.00 59.36 57.69 2yyh h GLU 54 Cb 0.54 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2yyh h GLU 54 CO 0.04 1.20 -0.10 0.00 -1.00 0.00 0.00 179.01 179.15 2yyh h ALA 55 N 0.64 1.14 0.04 3.43 0.00 -0.87 -0.41 119.26 123.21 2yyh h ALA 55 Ca -0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2yyh h ALA 55 Cb 1.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2yyh h ALA 55 CO 0.15 0.54 -0.02 0.00 0.00 0.00 0.00 179.25 179.93 2yyh h ALA 56 N 1.31 -0.05 0.20 0.00 0.00 -1.24 0.19 119.26 119.68 2yyh h ALA 56 Ca 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2yyh h ALA 56 Cb 0.52 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2yyh h ALA 56 CO 0.03 -0.36 -0.13 0.00 0.00 0.00 0.00 179.25 178.79 2yyh h ALA 57 N 0.56 -0.31 -0.28 0.00 0.00 -1.33 -2.85 119.26 115.04 2yyh h ALA 57 Ca -0.00 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.91 2yyh h ALA 57 Cb 0.36 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 2yyh h ALA 57 CO 0.01 -0.68 -0.16 -0.09 0.00 0.00 0.00 179.25 178.32 2yyh h ARG 58 N -0.33 -0.13 -1.99 0.00 2.43 -1.06 -1.50 114.38 111.81 2yyh h ARG 58 Ca -0.02 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2yyh h ARG 58 Cb 0.28 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2yyh h ARG 58 CO 0.01 -0.09 0.00 -1.91 -1.51 0.00 0.00 179.97 176.48 2yyh n GLU 59 N -5.33 0.01 0.00 0.20 4.07 0.68 -1.78 120.64 118.48 2yyh n GLU 59 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2yyh n GLU 59 Cb 0.25 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.13 2yyh n GLU 59 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2yyh n ARG 61 N 1.07 0.00 0.04 5.31 1.74 -0.57 -2.08 116.66 122.18 2yyh n ARG 61 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 2yyh n ARG 61 Cb 0.01 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.40 2yyh n ARG 61 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2yyh h GLU 62 N 0.00 -0.16 0.00 5.56 5.08 -1.63 0.18 114.58 123.61 2yyh h GLU 62 Ca 0.00 0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.14 2yyh h GLU 62 Cb 0.00 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2yyh h GLU 62 CO 0.00 -0.11 -1.28 0.93 -1.00 0.00 0.00 179.01 177.55 2yyh h GLU 63 N -0.17 0.00 0.00 2.33 5.08 -1.59 -3.36 114.58 116.86 2yyh h GLU 63 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2yyh h GLU 63 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2yyh h GLU 63 CO -0.12 0.71 0.00 0.25 -1.00 0.00 0.00 179.01 178.84 2yyh n THR 64 N -3.19 0.00 -0.84 1.13 -2.24 -1.24 -3.07 114.28 104.84 2yyh n THR 64 Ca -0.07 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2yyh n THR 64 Cb 0.96 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.21 2yyh n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yyh n GLY 65 N 0.70 0.26 3.88 3.38 0.00 0.62 -0.03 105.19 114.00 2yyh n GLY 65 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2yyh n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yyh s LEU 66 N 0.00 4.15 -0.54 0.99 1.43 -1.26 -4.83 118.68 118.63 2yyh s LEU 66 Ca 0.00 0.91 -0.16 0.00 -1.03 0.00 0.00 54.13 53.85 2yyh s LEU 66 Cb 0.00 -3.68 0.12 0.00 0.03 0.00 0.00 46.19 42.65 2yyh s LEU 66 CO 0.00 -0.09 0.51 -0.70 0.23 0.00 0.00 176.35 176.30 2yyh s GLU 67 N -2.89 3.00 -0.21 1.70 2.56 -1.26 -3.63 118.70 117.96 2yyh s GLU 67 Ca 0.47 -1.60 -0.10 0.00 0.00 0.00 0.00 54.97 53.74 2yyh s GLU 67 Cb -0.11 -4.27 -0.05 0.00 2.00 0.00 0.00 34.13 31.70 2yyh s GLU 67 CO 0.22 -1.31 0.15 0.08 -0.56 0.00 0.00 175.26 173.85 2yyh s VAL 68 N 1.74 5.38 -0.35 3.70 1.01 -1.26 -4.56 120.40 126.06 2yyh s VAL 68 Ca 0.04 0.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.07 2yyh s VAL 68 Cb -0.28 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 2yyh s VAL 68 CO 0.04 0.40 0.40 -0.60 0.00 0.00 0.00 175.10 175.34 2yyh s ARG 69 N 0.66 3.56 0.29 2.72 3.52 -0.68 -4.85 118.95 124.17 2yyh s ARG 69 Ca 0.08 -0.37 -0.29 0.00 -0.13 0.00 0.00 55.73 55.02 2yyh s ARG 69 Cb -0.12 -3.81 -0.10 0.00 -1.56 0.00 0.00 34.95 29.35 2yyh s ARG 69 CO 0.01 -0.57 1.42 -0.51 -0.81 0.00 0.00 175.30 174.84 2yyh s LEU 70 N 2.12 4.39 -0.15 -0.88 1.43 -1.26 -1.68 118.68 122.64 2yyh s LEU 70 Ca 0.13 2.73 -0.02 0.00 -1.03 0.00 0.00 54.13 55.95 2yyh s LEU 70 Cb -0.16 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.33 2yyh s LEU 70 CO 0.12 -0.69 -0.15 1.57 0.23 0.00 0.00 176.35 177.42 2yyh n HIS 71 N 1.73 0.00 -3.63 0.29 -0.00 0.99 -4.92 115.22 109.68 2yyh n HIS 71 Ca 0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.61 2yyh n HIS 71 Cb 0.40 -0.57 -0.07 0.00 -0.00 0.00 0.00 29.99 29.75 2yyh n HIS 71 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2yyh s LYS 72 N -2.29 0.83 0.88 1.57 2.20 -0.89 -5.00 119.74 117.03 2yyh s LYS 72 Ca -0.21 0.38 -0.12 0.00 -0.36 0.00 0.00 55.97 55.66 2yyh s LYS 72 Cb 0.06 0.39 0.12 0.00 -1.51 0.00 0.00 37.83 36.89 2yyh s LYS 72 CO 0.32 -0.20 1.11 -1.17 -0.36 0.00 0.00 175.35 175.04 2yyh s LEU 73 N -0.64 2.21 0.47 5.43 2.96 -1.26 -1.34 118.68 126.51 2yyh s LEU 73 Ca -0.07 1.22 0.08 0.00 -0.22 0.00 0.00 54.13 55.14 2yyh s LEU 73 Cb -0.03 -3.64 0.03 0.00 0.50 0.00 0.00 46.19 43.05 2yyh s LEU 73 CO 0.05 -2.44 0.62 -0.83 -1.32 0.00 0.00 176.35 172.43 2yyh s GLY 75 N -3.79 1.91 -0.15 7.98 0.00 -1.00 -4.92 107.32 107.34 2yyh s GLY 75 Ca 0.63 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.53 2yyh s GLY 75 CO 0.55 -1.57 -0.11 0.14 0.00 0.00 0.00 173.10 172.11 2yyh s VAL 76 N -2.46 1.38 -0.19 1.40 1.01 -1.26 -0.17 120.40 120.10 2yyh s VAL 76 Ca 0.56 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 2yyh s VAL 76 Cb -0.08 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 2yyh s VAL 76 CO 0.34 0.36 -0.01 -0.31 0.00 0.00 0.00 175.10 175.49 2yyh s TYR 77 N 1.55 3.04 -0.02 5.22 2.02 -0.19 -4.97 117.35 124.00 2yyh s TYR 77 Ca 0.04 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 2yyh s TYR 77 Cb -0.13 -2.07 0.05 0.00 -0.40 0.00 0.00 41.96 39.41 2yyh s TYR 77 CO -0.09 -0.22 0.96 -1.13 -1.57 0.00 0.00 175.55 173.50 2yyh n SER 78 N 4.16 0.50 -4.66 2.29 3.41 -1.26 -1.21 113.62 116.84 2yyh n SER 78 Ca -0.17 -2.05 -0.47 0.00 -0.26 0.00 0.00 58.87 55.92 2yyh n SER 78 Cb 0.52 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.22 2yyh n SER 78 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2yyh n ASP 79 N -0.28 3.00 -0.36 4.04 8.00 -1.26 -4.82 116.55 124.87 2yyh n ASP 79 Ca 0.03 1.07 0.27 0.00 0.71 0.00 0.00 54.79 56.87 2yyh n ASP 79 Cb 0.64 -1.39 0.53 0.00 -0.02 0.00 0.00 41.12 40.88 2yyh n ASP 79 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2yyh h PRO 80 N 6.28 0.28 -0.59 -0.24 0.11 -1.97 -1.62 132.00 134.24 2yyh h PRO 80 Ca -0.46 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2yyh h PRO 80 Cb 1.26 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2yyh h PRO 80 CO 0.89 0.18 0.03 0.39 -0.21 0.00 0.00 178.00 179.28 2yyh n GLU 81 N -4.83 4.82 0.16 1.05 -0.58 -1.26 -4.50 120.64 115.50 2yyh n GLU 81 Ca 0.31 -3.17 0.03 0.00 -0.42 0.00 0.00 57.16 53.91 2yyh n GLU 81 Cb 1.07 -2.27 0.22 0.00 -0.57 0.00 0.00 31.44 29.89 2yyh n GLU 81 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 2yyh h ARG 82 N 3.88 0.00 -4.33 3.49 0.11 -1.63 -3.42 114.38 112.48 2yyh h ARG 82 Ca 0.03 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.52 2yyh h ARG 82 Cb 2.03 0.00 -0.38 0.00 1.11 0.00 0.00 29.97 32.74 2yyh h ARG 82 CO 0.52 0.49 -0.80 0.34 0.10 0.00 0.00 179.97 180.63 2yyh s ASP 83 N -6.54 3.14 0.58 0.08 -1.08 -1.26 -3.82 116.67 107.76 2yyh s ASP 83 Ca 0.00 -0.80 0.27 0.00 -0.52 0.00 0.00 52.55 51.51 2yyh s ASP 83 Cb 0.11 -1.06 1.63 0.00 -1.46 0.00 0.00 42.92 42.14 2yyh s ASP 83 CO 0.72 -0.18 2.12 -0.65 0.52 0.00 0.00 175.17 177.71 2yyh h PRO 84 N 8.05 0.00 -0.08 4.34 0.11 -1.93 -2.96 132.00 139.53 2yyh h PRO 84 Ca -0.25 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.73 2yyh h PRO 84 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2yyh h PRO 84 CO 0.43 0.00 -0.55 0.00 -0.21 0.00 0.00 178.00 177.67 2yyh h ARG 85 N 0.00 0.23 0.00 1.05 3.08 -1.99 -3.48 114.38 113.27 2yyh h ARG 85 Ca 0.08 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2yyh h ARG 85 Cb 0.39 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2yyh h ARG 85 CO -0.00 0.72 0.00 0.00 -1.07 0.00 0.00 179.97 179.62 2yyh n ALA 86 N -2.47 0.00 -2.60 0.04 0.00 -1.12 -5.08 120.51 109.29 2yyh n ALA 86 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 2yyh n ALA 86 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 2yyh n ALA 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2yyh s HIS 87 N -2.29 2.82 -0.12 0.00 5.65 -1.26 -4.39 115.29 115.70 2yyh s HIS 87 Ca 0.00 0.67 0.03 0.00 0.25 0.00 0.00 55.06 56.01 2yyh s HIS 87 Cb 0.00 -4.41 0.01 0.00 -1.18 0.00 0.00 32.58 27.00 2yyh s HIS 87 CO 0.00 -1.27 -0.21 0.08 -0.65 0.00 0.00 174.74 172.69 2yyh s VAL 88 N 4.41 1.94 -0.18 0.89 1.01 -1.26 -0.66 120.40 126.56 2yyh s VAL 88 Ca 0.47 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 2yyh s VAL 88 Cb -0.07 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2yyh s VAL 88 CO 0.31 0.53 0.10 -0.69 0.00 0.00 0.00 175.10 175.35 2yyh s VAL 89 N 0.63 5.14 -0.10 2.92 1.01 0.01 -4.71 120.40 125.30 2yyh s VAL 89 Ca -0.12 0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.96 2yyh s VAL 89 Cb -0.16 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 2yyh s VAL 89 CO 0.03 0.48 -0.14 -0.55 0.00 0.00 0.00 175.10 174.92 2yyh s SER 90 N 0.09 3.94 -0.36 3.32 0.15 -0.35 -1.07 113.70 119.43 2yyh s SER 90 Ca 0.07 -0.31 -0.17 0.00 0.70 0.00 0.00 55.95 56.25 2yyh s SER 90 Cb -0.12 -1.37 -0.00 0.00 -1.71 0.00 0.00 66.02 62.82 2yyh s SER 90 CO -0.00 0.22 0.44 -0.69 1.20 0.00 0.00 173.24 174.41 2yyh s VAL 91 N 0.04 5.09 -0.20 4.45 1.01 -0.41 -1.02 120.40 129.34 2yyh s VAL 91 Ca -0.05 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 2yyh s VAL 91 Cb -0.14 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2yyh s VAL 91 CO 0.04 -0.19 0.17 -0.69 0.00 0.00 0.00 175.10 174.43 2yyh s VAL 92 N 2.21 5.38 0.32 2.92 1.01 0.75 -1.91 120.40 131.08 2yyh s VAL 92 Ca 0.15 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.47 2yyh s VAL 92 Cb -0.16 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2yyh s VAL 92 CO 0.13 0.41 0.05 0.26 0.00 0.00 0.00 175.10 175.95 2yyh s TRP 93 N 0.53 2.64 -0.11 5.22 0.52 -0.28 -2.39 118.94 125.07 2yyh s TRP 93 Ca 0.09 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 55.89 2yyh s TRP 93 Cb -0.12 -1.45 -0.00 0.00 -1.15 0.00 0.00 33.47 30.75 2yyh s TRP 93 CO 0.00 0.48 -0.22 0.42 0.02 0.00 0.00 176.95 177.65 2yyh s ILE 94 N -2.43 2.24 0.30 2.03 1.01 -0.45 0.23 121.20 124.13 2yyh s ILE 94 Ca 0.35 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 60.09 2yyh s ILE 94 Cb -0.03 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 2yyh s ILE 94 CO 0.21 0.55 0.22 -0.83 0.00 0.00 0.00 174.94 175.09 2yyh s GLY 95 N 0.36 2.09 0.07 6.18 0.00 -0.11 -0.01 107.32 115.90 2yyh s GLY 95 Ca -0.17 -1.89 0.04 0.00 0.00 0.00 0.00 44.72 42.70 2yyh s GLY 95 CO 0.08 -1.49 -0.11 0.99 0.00 0.00 0.00 173.10 172.56 2yyh s ASP 96 N -3.33 1.37 0.04 1.64 1.01 -0.68 -0.61 116.67 116.11 2yyh s ASP 96 Ca 0.39 -0.63 -0.22 0.00 0.71 0.00 0.00 52.55 52.79 2yyh s ASP 96 Cb 0.04 -0.01 0.05 0.00 1.01 0.00 0.00 42.92 44.01 2yyh s ASP 96 CO 0.22 -0.15 0.52 0.00 0.21 0.00 0.00 175.17 175.96 2yyh s ALA 97 N -1.51 -1.32 0.38 5.23 0.00 -0.79 -1.68 121.76 122.07 2yyh s ALA 97 Ca -0.03 0.61 0.08 0.00 0.00 0.00 0.00 51.96 52.62 2yyh s ALA 97 Cb -0.09 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 2yyh s ALA 97 CO 0.01 -0.49 0.17 -0.65 0.00 0.00 0.00 175.76 174.80 2yyh s GLN 98 N -2.37 2.28 0.00 0.00 -1.52 -1.26 -0.53 119.66 116.26 2yyh s GLN 98 Ca -0.06 -1.72 0.00 0.00 -1.95 0.00 0.00 55.36 51.63 2yyh s GLN 98 Cb -0.01 -2.06 0.00 0.00 -0.22 0.00 0.00 33.01 30.72 2yyh s GLN 98 CO -0.01 -0.03 0.00 0.41 -0.25 0.00 0.00 175.29 175.41 2yyh n GLY 99 N -1.21 -3.12 3.43 3.09 0.00 -1.25 -4.70 105.19 101.44 2yyh n GLY 99 Ca -0.02 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 2yyh n GLY 99 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yyh s GLU 100 N -0.59 3.60 0.36 1.61 2.56 -1.26 -4.91 118.70 120.06 2yyh s GLU 100 Ca 0.00 -0.52 -0.28 0.00 0.00 0.00 0.00 54.97 54.17 2yyh s GLU 100 Cb 0.00 -3.12 -0.10 0.00 2.00 0.00 0.00 34.13 32.90 2yyh s GLU 100 CO 0.00 -0.05 1.39 -2.14 -0.56 0.00 0.00 175.26 173.90 2yyh s PRO 101 N 1.18 4.19 -0.11 4.30 0.02 -1.26 -4.80 135.00 138.52 2yyh s PRO 101 Ca 0.03 2.38 -0.02 0.00 0.02 0.00 0.00 61.00 63.41 2yyh s PRO 101 Cb -0.14 -2.99 0.04 0.00 0.02 0.00 0.00 34.50 31.42 2yyh s PRO 101 CO 0.01 -0.39 0.02 0.15 -0.33 0.00 0.00 177.00 176.47 2yyh s LYS 102 N -1.98 0.55 0.95 5.54 -0.14 0.96 -5.00 119.74 120.61 2yyh s LYS 102 Ca 0.52 -0.03 -0.11 0.00 -1.36 0.00 0.00 55.97 54.99 2yyh s LYS 102 Cb -0.43 -1.31 0.17 0.00 -1.68 0.00 0.00 37.83 34.58 2yyh s LYS 102 CO 0.57 -0.42 1.12 0.00 -0.76 0.00 0.00 175.35 175.87 2yyh s ALA 103 N 1.96 1.14 0.00 5.17 0.00 -1.26 -2.96 121.76 125.81 2yyh s ALA 103 Ca 0.03 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2yyh s ALA 103 Cb -0.14 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2yyh s ALA 103 CO -0.06 -2.92 0.00 0.41 0.00 0.00 0.00 175.76 173.19 2yyh n GLY 104 N 0.22 1.54 7.00 0.00 0.00 -1.05 -4.88 105.19 108.02 2yyh n GLY 104 Ca 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2yyh n GLY 104 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yyh n SER 105 N 0.00 0.00 0.00 1.61 7.64 -1.26 -1.45 113.62 120.16 2yyh n SER 105 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 2yyh n SER 105 Cb 0.00 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.31 2yyh n SER 105 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2yyh n ASP 106 N 4.34 0.00 -4.53 6.43 9.92 -1.26 -4.53 116.55 126.92 2yyh n ASP 106 Ca 0.00 0.26 -0.39 0.00 -0.53 0.00 0.00 54.79 54.13 2yyh n ASP 106 Cb 0.00 -0.32 -0.11 0.00 -0.64 0.00 0.00 41.12 40.05 2yyh n ASP 106 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yyh s ALA 107 N -2.63 3.45 -0.30 2.24 0.00 -0.53 0.35 121.76 124.34 2yyh s ALA 107 Ca 0.04 -1.26 0.23 0.00 0.00 0.00 0.00 51.96 50.97 2yyh s ALA 107 Cb 0.03 -2.50 0.06 0.00 0.00 0.00 0.00 23.12 20.70 2yyh s ALA 107 CO 0.07 -0.77 1.11 1.57 0.00 0.00 0.00 175.76 177.74 2yyh h LYS 108 N 8.40 0.00 -2.59 0.00 2.10 -1.41 -2.77 116.57 120.30 2yyh h LYS 108 Ca -0.33 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.21 2yyh h LYS 108 Cb 1.17 0.00 -0.24 0.00 -0.90 0.00 0.00 32.23 32.26 2yyh h LYS 108 CO 0.60 0.00 -0.18 0.15 -2.00 0.00 0.00 179.45 178.01 2yyh s LYS 109 N -3.33 0.52 -0.02 0.07 1.02 -1.22 -4.92 119.74 111.87 2yyh s LYS 109 Ca 0.01 0.70 0.05 0.00 0.02 0.00 0.00 55.97 56.75 2yyh s LYS 109 Cb 0.10 0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 37.60 2yyh s LYS 109 CO 0.78 -0.09 -0.18 0.54 -0.92 0.00 0.00 175.35 175.48 2yyh s VAL 110 N 0.51 1.45 0.08 3.17 0.11 -1.26 -0.37 120.40 124.08 2yyh s VAL 110 Ca -0.02 -0.78 -0.26 0.00 -2.93 0.00 0.00 61.98 57.99 2yyh s VAL 110 Cb -0.04 -1.21 0.07 0.00 -1.53 0.00 0.00 36.38 33.67 2yyh s VAL 110 CO -0.03 0.41 0.65 -1.59 -3.33 0.00 0.00 175.10 171.21 2yyh s LYS 111 N -0.37 1.17 -0.00 1.54 -2.85 -0.90 -4.85 119.74 113.49 2yyh s LYS 111 Ca 0.06 -0.22 -0.09 0.00 -1.00 0.00 0.00 55.97 54.71 2yyh s LYS 111 Cb -0.08 0.54 -0.05 0.00 -2.06 0.00 0.00 37.83 36.19 2yyh s LYS 111 CO -0.00 -0.47 0.31 0.08 0.10 0.00 0.00 175.35 175.37 2yyh s VAL 112 N -2.87 5.22 -0.04 1.79 1.01 -1.26 -0.97 120.40 123.28 2yyh s VAL 112 Ca -0.03 0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.39 2yyh s VAL 112 Cb -0.01 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.79 2yyh s VAL 112 CO -0.05 0.45 -0.11 -0.31 0.00 0.00 0.00 175.10 175.07 2yyh s TYR 113 N -1.22 1.21 0.47 5.22 2.02 0.16 -4.96 117.35 120.26 2yyh s TYR 113 Ca 0.25 -0.35 -0.23 0.00 -0.37 0.00 0.00 57.07 56.38 2yyh s TYR 113 Cb -0.14 -0.86 -0.07 0.00 -0.40 0.00 0.00 41.96 40.49 2yyh s TYR 113 CO 0.14 -0.16 1.20 1.03 -1.57 0.00 0.00 175.55 176.19 2yyh s ARG 114 N 0.31 3.65 0.64 -0.62 0.52 -1.26 -1.36 118.95 120.83 2yyh s ARG 114 Ca -0.06 1.87 0.39 0.00 -0.52 0.00 0.00 55.73 57.40 2yyh s ARG 114 Cb -0.11 -2.39 2.17 0.00 0.52 0.00 0.00 34.95 35.14 2yyh s ARG 114 CO 0.01 -0.67 2.30 -0.07 0.02 0.00 0.00 175.30 176.90 2yyh h LEU 115 N 1.96 0.00 -0.37 2.53 3.38 -1.94 0.19 115.31 121.06 2yyh h LEU 115 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2yyh h LEU 115 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2yyh h LEU 115 CO 0.60 0.00 -0.32 -0.62 0.09 0.00 0.00 178.44 178.19 2yyh n GLU 116 N -3.33 0.63 -1.29 1.13 4.71 -1.26 -4.21 120.64 117.02 2yyh n GLU 116 Ca -0.03 -0.37 -0.06 0.00 -0.01 0.00 0.00 57.16 56.70 2yyh n GLU 116 Cb 0.11 -1.49 0.12 0.00 -1.01 0.00 0.00 31.44 29.17 2yyh n GLU 116 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2yyh n GLU 117 N -0.86 2.27 -3.24 3.49 1.02 0.66 -5.02 120.64 118.96 2yyh n GLU 117 Ca 0.11 -3.57 -0.40 0.00 -0.02 0.00 0.00 57.16 53.28 2yyh n GLU 117 Cb 0.34 -1.77 -0.07 0.00 -0.02 0.00 0.00 31.44 29.92 2yyh n GLU 117 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2yyh s ILE 118 N -3.59 5.08 -1.24 -3.67 1.01 -1.21 -4.66 121.20 112.94 2yyh s ILE 118 Ca 0.42 0.90 -0.20 0.00 0.00 0.00 0.00 60.65 61.77 2yyh s ILE 118 Cb 0.38 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 2yyh s ILE 118 CO -0.03 0.12 1.86 -0.81 0.00 0.00 0.00 174.94 176.07 2yyh n PRO 119 N 5.27 2.46 -0.36 2.79 -0.04 -1.26 -4.81 135.00 139.05 2yyh n PRO 119 Ca -0.04 -2.84 0.28 0.00 -0.04 0.00 0.00 63.50 60.86 2yyh n PRO 119 Cb 0.50 -3.55 0.58 0.00 -0.04 0.00 0.00 33.50 30.99 2yyh n PRO 119 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2yyh h LEU 120 N 14.53 0.34 0.00 1.53 3.38 -1.99 -1.09 115.31 132.00 2yyh h LEU 120 Ca 0.36 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.42 2yyh h LEU 120 Cb 0.87 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2yyh h LEU 120 CO 1.42 0.00 0.00 0.47 0.09 0.00 0.00 178.44 180.42 2yyh n ASP 121 N -4.59 0.00 -0.57 -0.43 8.00 -1.26 -2.88 116.55 114.82 2yyh n ASP 121 Ca 0.29 0.30 0.12 0.00 0.71 0.00 0.00 54.79 56.21 2yyh n ASP 121 Cb 1.08 -0.42 0.12 0.00 -0.02 0.00 0.00 41.12 41.87 2yyh n ASP 121 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2yyh n LYS 122 N -1.42 1.46 -2.39 -1.24 5.02 -0.41 -4.94 118.16 114.24 2yyh n LYS 122 Ca 0.08 -1.15 -0.41 0.00 -2.02 0.00 0.00 58.31 54.81 2yyh n LYS 122 Cb 0.25 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.74 2yyh n LYS 122 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2yyh s LEU 123 N -2.33 4.47 0.00 -0.35 1.43 -1.14 -2.55 118.68 118.20 2yyh s LEU 123 Ca 0.23 2.25 0.07 0.00 -1.03 0.00 0.00 54.13 55.65 2yyh s LEU 123 Cb 0.19 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 42.88 2yyh s LEU 123 CO 0.48 -0.33 0.67 1.33 0.23 0.00 0.00 176.35 178.73 2yyh n VAL 124 N 2.22 0.00 -4.97 -1.59 0.24 -0.08 -4.76 118.33 109.39 2yyh n VAL 124 Ca 0.03 -1.54 0.00 0.00 -2.04 0.00 0.00 64.34 60.79 2yyh n VAL 124 Cb 0.45 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 2yyh n VAL 124 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2yyh n PHE 125 N -2.10 0.00 -1.04 6.34 3.72 -1.26 -2.35 117.46 120.77 2yyh n PHE 125 Ca 0.13 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.63 2yyh n PHE 125 Cb 0.49 0.05 0.19 0.00 -0.94 0.00 0.00 39.48 39.27 2yyh n PHE 125 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2yyh n ASP 126 N 0.94 3.03 0.26 4.37 5.75 -1.25 -4.75 116.55 124.90 2yyh n ASP 126 Ca 0.00 -3.06 0.18 0.00 -0.01 0.00 0.00 54.79 51.90 2yyh n ASP 126 Cb 0.00 -0.48 0.91 0.00 -1.03 0.00 0.00 41.12 40.52 2yyh n ASP 126 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 2yyh h HIS 127 N 0.79 0.00 -0.28 2.11 3.86 -1.80 -1.05 115.15 118.79 2yyh h HIS 127 Ca 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 2yyh h HIS 127 Cb 1.20 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.66 2yyh h HIS 127 CO 0.22 0.00 -0.10 -0.22 0.86 0.00 0.00 177.93 178.69 2yyh h LYS 128 N 0.00 0.56 -0.47 2.45 3.64 -1.85 -0.42 116.57 120.48 2yyh h LYS 128 Ca 0.05 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 2yyh h LYS 128 Cb 0.43 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2yyh h LYS 128 CO -0.00 0.78 0.16 -0.22 -2.27 0.00 0.00 179.45 177.90 2yyh h LYS 129 N 0.31 0.73 -0.04 1.90 3.64 -1.59 -0.36 116.57 121.14 2yyh h LYS 129 Ca 0.07 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2yyh h LYS 129 Cb 0.60 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2yyh h LYS 129 CO 0.03 0.68 0.03 0.82 -2.27 0.00 0.00 179.45 178.74 2yyh h ILE 130 N 0.62 1.04 -0.62 2.00 2.04 -1.36 -0.29 117.51 120.95 2yyh h ILE 130 Ca 0.15 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.82 2yyh h ILE 130 Cb 0.25 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 2yyh h ILE 130 CO -0.01 0.04 0.13 0.40 0.00 0.00 0.00 178.15 178.71 2yyh h ILE 131 N 0.02 1.25 -0.64 -0.67 2.04 -0.98 -0.53 117.51 118.00 2yyh h ILE 131 Ca 0.02 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 64.88 2yyh h ILE 131 Cb 0.04 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 2yyh h ILE 131 CO -0.00 0.35 0.18 -0.07 0.00 0.00 0.00 178.15 178.61 2yyh h LEU 132 N 0.94 0.93 -0.90 1.44 3.38 -0.83 0.13 115.31 120.40 2yyh h LEU 132 Ca 0.20 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2yyh h LEU 132 Cb 0.37 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2yyh h LEU 132 CO 0.01 0.88 0.35 0.44 0.09 0.00 0.00 178.44 180.21 2yyh h ASP 133 N 0.95 1.05 -0.12 -0.43 3.32 -0.41 -1.17 116.42 119.61 2yyh h ASP 133 Ca 0.21 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2yyh h ASP 133 Cb 0.30 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 2yyh h ASP 133 CO -0.00 0.90 0.01 0.15 -1.72 0.00 0.00 179.24 178.58 2yyh h PHE 134 N 1.13 0.21 -0.20 4.55 3.57 -0.16 0.71 116.94 126.75 2yyh h PHE 134 Ca 0.27 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 2yyh h PHE 134 Cb 0.16 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2yyh h PHE 134 CO 0.02 0.40 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.42 2yyh h LEU 135 N -0.05 0.27 -0.32 0.59 3.38 -0.57 -2.55 115.31 116.07 2yyh h LEU 135 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2yyh h LEU 135 Cb 0.31 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2yyh h LEU 135 CO 0.00 0.33 -0.24 0.29 0.09 0.00 0.00 178.44 178.92 2yyh n LYS 136 N -4.36 0.63 -1.66 1.13 5.02 -0.46 -4.92 118.16 113.54 2yyh n LYS 136 Ca -0.00 -0.32 -0.08 0.00 -2.02 0.00 0.00 58.31 55.89 2yyh n LYS 136 Cb 0.20 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 2yyh n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2yyh n GLY 137 N 1.35 0.56 2.70 0.72 0.00 -0.72 -4.91 105.19 104.89 2yyh n GLY 137 Ca 0.12 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 2yyh n GLY 137 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yyh n ASN 138 N 0.56 5.02 0.00 1.61 5.03 0.17 -5.03 115.26 122.61 2yyh n ASN 138 Ca -0.09 -2.90 0.00 0.00 0.87 0.00 0.00 54.58 52.46 2yyh n ASN 138 Cb 0.41 -1.58 0.00 0.00 -1.02 0.00 0.00 39.78 37.59 2yyh n ASN 138 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43