#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yyh n PHE 3 N 0.00 -1.28 -1.11 1.61 -0.00 -1.26 -4.71 117.46 110.70 2yyh n PHE 3 Ca 0.00 0.54 -0.33 0.00 -0.00 0.00 0.00 57.45 57.66 2yyh n PHE 3 Cb 0.00 -1.09 -0.02 0.00 -0.00 0.00 0.00 39.48 38.36 2yyh n PHE 3 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2yyh n ASN 4 N 0.56 5.68 -4.10 -2.13 5.03 -1.26 -4.86 115.26 114.18 2yyh n ASN 4 Ca -0.04 -2.52 -0.28 0.00 0.87 0.00 0.00 54.58 52.61 2yyh n ASN 4 Cb 0.46 -1.32 -0.17 0.00 -1.02 0.00 0.00 39.78 37.73 2yyh n ASN 4 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 2yyh s VAL 5 N 3.21 1.52 -0.13 2.41 -7.23 -1.26 -5.13 120.40 113.80 2yyh s VAL 5 Ca 0.53 -0.70 -0.00 0.00 -1.81 0.00 0.00 61.98 59.99 2yyh s VAL 5 Cb 0.14 -1.35 -0.02 0.00 0.56 0.00 0.00 36.38 35.71 2yyh s VAL 5 CO -0.03 0.44 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.54 2yyh s LYS 6 N 0.54 3.37 0.34 4.82 1.02 -1.26 -5.11 119.74 123.45 2yyh s LYS 6 Ca -0.16 -0.66 0.03 0.00 0.02 0.00 0.00 55.97 55.20 2yyh s LYS 6 Cb -0.17 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 2yyh s LYS 6 CO 0.06 0.25 0.12 0.95 -0.92 0.00 0.00 175.35 175.80 2yyh s THR 7 N 0.27 0.65 0.94 2.17 -4.23 -1.26 -5.13 115.64 109.05 2yyh s THR 7 Ca -0.09 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.31 2yyh s THR 7 Cb -0.15 -2.54 0.16 0.00 1.34 0.00 0.00 72.50 71.31 2yyh s THR 7 CO 0.05 0.00 1.10 -2.84 -0.54 0.00 0.00 174.62 172.39 2yyh s PRO 8 N -3.82 0.83 0.50 3.99 0.02 -1.26 -4.98 135.00 130.28 2yyh s PRO 8 Ca 0.32 1.15 -0.18 0.00 0.02 0.00 0.00 61.00 62.30 2yyh s PRO 8 Cb 0.05 -1.73 -0.08 0.00 0.02 0.00 0.00 34.50 32.76 2yyh s PRO 8 CO 0.16 -2.63 1.00 -0.51 -0.33 0.00 0.00 177.00 174.68 2yyh s LEU 9 N -6.54 3.72 -0.18 -5.54 1.02 -0.57 -4.88 118.68 105.71 2yyh s LEU 9 Ca 0.65 1.70 -0.04 0.00 0.02 0.00 0.00 54.13 56.46 2yyh s LEU 9 Cb -0.21 -4.53 -0.02 0.00 0.02 0.00 0.00 46.19 41.44 2yyh s LEU 9 CO 0.59 -0.66 -0.02 -0.22 0.02 0.00 0.00 176.35 176.05 2yyh s LEU 10 N -3.83 3.23 0.29 1.79 2.96 -1.26 -1.03 118.68 120.83 2yyh s LEU 10 Ca 0.62 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.38 2yyh s LEU 10 Cb -0.12 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 2yyh s LEU 10 CO 0.26 0.12 0.11 0.00 -1.32 0.00 0.00 176.35 175.51 2yyh s ALA 11 N 0.68 1.98 -0.12 5.97 0.00 0.08 -0.76 121.76 129.59 2yyh s ALA 11 Ca -0.01 -1.81 -0.10 0.00 0.00 0.00 0.00 51.96 50.03 2yyh s ALA 11 Cb -0.14 0.99 0.04 0.00 0.00 0.00 0.00 23.12 24.01 2yyh s ALA 11 CO 0.02 -0.44 0.32 -0.08 0.00 0.00 0.00 175.76 175.58 2yyh s THR 12 N -3.61 -0.01 0.19 0.00 -1.32 0.04 -1.03 115.64 109.90 2yyh s THR 12 Ca 0.36 0.03 0.07 0.00 -1.21 0.00 0.00 61.69 60.94 2yyh s THR 12 Cb 0.07 -0.46 -0.05 0.00 -1.51 0.00 0.00 72.50 70.56 2yyh s THR 12 CO 0.15 0.01 -0.15 -1.81 -2.21 0.00 0.00 174.62 170.62 2yyh s ASP 13 N 0.46 2.48 -0.03 8.08 1.01 -0.84 -1.31 116.67 126.53 2yyh s ASP 13 Ca -0.02 -0.98 0.02 0.00 0.71 0.00 0.00 52.55 52.28 2yyh s ASP 13 Cb -0.04 -0.12 0.01 0.00 1.01 0.00 0.00 42.92 43.77 2yyh s ASP 13 CO -0.02 -0.16 -0.09 -0.69 0.21 0.00 0.00 175.17 174.42 2yyh s VAL 14 N -2.80 0.78 -0.48 -1.27 1.01 -0.79 -1.44 120.40 115.41 2yyh s VAL 14 Ca 0.20 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 2yyh s VAL 14 Cb -0.02 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.71 2yyh s VAL 14 CO 0.06 0.25 0.57 -0.63 0.00 0.00 0.00 175.10 175.35 2yyh s ILE 15 N 0.28 4.94 -0.45 2.22 1.01 0.47 -4.19 121.20 125.49 2yyh s ILE 15 Ca -0.05 -0.49 -0.19 0.00 0.00 0.00 0.00 60.65 59.93 2yyh s ILE 15 Cb -0.09 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 38.18 2yyh s ILE 15 CO 0.01 -0.71 0.55 -0.63 0.00 0.00 0.00 174.94 174.16 2yyh s ILE 16 N 2.46 4.95 -0.37 2.92 1.01 -1.26 -0.70 121.20 130.21 2yyh s ILE 16 Ca 0.14 -0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.25 2yyh s ILE 16 Cb -0.19 -4.16 0.02 0.00 0.01 0.00 0.00 42.46 38.14 2yyh s ILE 16 CO 0.12 -0.58 1.10 -0.13 0.00 0.00 0.00 174.94 175.45 2yyh s ARG 17 N 2.47 3.96 -0.02 2.79 0.52 0.24 -2.83 118.95 126.07 2yyh s ARG 17 Ca 0.16 0.91 -0.16 0.00 -0.52 0.00 0.00 55.73 56.13 2yyh s ARG 17 Cb -0.17 -3.79 -0.05 0.00 0.52 0.00 0.00 34.95 31.46 2yyh s ARG 17 CO 0.15 -1.06 0.43 -1.17 0.02 0.00 0.00 175.30 173.67 2yyh s LEU 18 N 3.92 4.44 0.13 2.53 2.96 -0.46 -1.75 118.68 130.45 2yyh s LEU 18 Ca 0.46 0.95 0.07 0.00 -0.22 0.00 0.00 54.13 55.39 2yyh s LEU 18 Cb -0.11 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 2yyh s LEU 18 CO 0.21 0.26 -0.16 0.26 -1.32 0.00 0.00 176.35 175.59 2yyh s TRP 19 N -0.73 1.59 -0.55 5.38 0.52 0.00 -1.03 118.94 124.11 2yyh s TRP 19 Ca 0.24 -0.50 0.05 0.00 0.02 0.00 0.00 56.10 55.91 2yyh s TRP 19 Cb -0.16 -0.82 0.18 0.00 -1.15 0.00 0.00 33.47 31.51 2yyh s TRP 19 CO 0.13 0.21 0.43 -3.47 0.02 0.00 0.00 176.95 174.27 2yyh n ASP 20 N 0.56 1.23 0.00 2.95 -0.08 0.44 -3.86 116.55 117.79 2yyh n ASP 20 Ca -0.15 -2.79 0.00 0.00 -1.51 0.00 0.00 54.79 50.33 2yyh n ASP 20 Cb 0.56 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 43.37 2yyh n ASP 20 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2yyh n GLY 21 N 2.31 0.50 0.59 0.27 0.00 -1.26 -2.47 105.19 105.14 2yyh n GLY 21 Ca 0.25 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.65 2yyh n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yyh n GLU 22 N 10.91 1.80 -3.11 1.61 1.02 -1.26 -4.83 120.64 126.78 2yyh n GLU 22 Ca 0.00 -1.18 -0.41 0.00 -0.02 0.00 0.00 57.16 55.55 2yyh n GLU 22 Cb 0.00 -1.44 -0.06 0.00 -0.02 0.00 0.00 31.44 29.92 2yyh n GLU 22 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2yyh s ASN 23 N -1.74 6.50 0.00 1.62 0.01 -1.03 -5.04 114.94 115.26 2yyh s ASN 23 Ca 0.34 0.43 -0.29 0.00 -0.71 0.00 0.00 52.86 52.64 2yyh s ASN 23 Cb 0.19 -2.33 -0.03 0.00 0.41 0.00 0.00 41.25 39.48 2yyh s ASN 23 CO 0.29 -0.48 0.92 0.12 -1.51 0.00 0.00 177.10 176.44 2yyh s PHE 24 N 2.62 3.66 -0.15 2.20 5.36 -1.26 -0.42 117.98 129.99 2yyh s PHE 24 Ca 0.25 1.62 0.16 0.00 -0.96 0.00 0.00 56.93 58.01 2yyh s PHE 24 Cb -0.15 -3.05 -0.23 0.00 -0.34 0.00 0.00 43.02 39.25 2yyh s PHE 24 CO 0.12 0.04 0.41 1.63 -1.46 0.00 0.00 175.22 175.95 2yyh n LYS 25 N 3.72 0.75 0.00 10.12 4.76 -0.20 -4.95 118.16 132.36 2yyh n LYS 25 Ca 0.04 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 2yyh n LYS 25 Cb 0.51 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 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 1.55 0.39 3.55 0.72 0.00 -1.24 -4.14 105.19 106.02 2yyh n GLY 26 Ca -0.02 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 2yyh n GLY 26 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2yyh s ILE 27 N -1.16 3.17 -0.31 -0.61 2.07 0.29 -1.35 121.20 123.30 2yyh s ILE 27 Ca 0.00 -1.39 -0.14 0.00 -1.41 0.00 0.00 60.65 57.71 2yyh s ILE 27 Cb 0.00 -2.49 -0.03 0.00 0.13 0.00 0.00 42.46 40.08 2yyh s ILE 27 CO 0.00 0.08 0.33 -0.69 -1.91 0.00 0.00 174.94 172.75 2yyh s VAL 28 N -1.24 5.20 0.36 4.00 1.01 -1.13 -0.88 120.40 127.72 2yyh s VAL 28 Ca 0.21 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.47 2yyh s VAL 28 Cb -0.11 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 2yyh s VAL 28 CO 0.13 0.04 -0.03 -0.76 0.00 0.00 0.00 175.10 174.48 2yyh s LEU 29 N 1.97 2.85 -0.05 3.92 1.43 0.20 -4.41 118.68 124.58 2yyh s LEU 29 Ca 0.11 -1.16 0.05 0.00 -1.03 0.00 0.00 54.13 52.10 2yyh s LEU 29 Cb -0.16 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 2yyh s LEU 29 CO 0.11 -0.27 -0.22 -0.63 0.23 0.00 0.00 176.35 175.57 2yyh s ILE 30 N -2.60 1.82 -0.52 -0.59 -1.09 0.17 -1.35 121.20 117.04 2yyh s ILE 30 Ca 0.34 -0.93 -0.17 0.00 -2.23 0.00 0.00 60.65 57.66 2yyh s ILE 30 Cb 0.03 -1.55 0.10 0.00 -1.58 0.00 0.00 42.46 39.46 2yyh s ILE 30 CO 0.18 0.51 0.50 -1.61 -1.23 0.00 0.00 174.94 173.29 2yyh s GLU 31 N -0.05 3.01 0.28 2.79 2.02 -0.00 -0.01 118.70 126.73 2yyh s GLU 31 Ca -0.05 -1.42 -0.29 0.00 0.02 0.00 0.00 54.97 53.23 2yyh s GLU 31 Cb -0.13 -4.21 -0.09 0.00 0.10 0.00 0.00 34.13 29.80 2yyh s GLU 31 CO 0.03 -1.23 1.06 1.03 0.02 0.00 0.00 175.26 176.18 2yyh s ARG 32 N 1.89 4.67 -0.12 1.61 0.52 0.53 -2.96 118.95 125.09 2yyh s ARG 32 Ca 0.06 1.73 0.18 0.00 -0.52 0.00 0.00 55.73 57.17 2yyh s ARG 32 Cb -0.26 -3.18 -0.26 0.00 0.52 0.00 0.00 34.95 31.77 2yyh s ARG 32 CO 0.06 0.27 0.20 1.63 0.02 0.00 0.00 175.30 177.48 2yyh n LYS 33 N 1.21 0.84 -3.53 3.54 4.76 -0.85 -2.93 118.16 121.20 2yyh n LYS 33 Ca -0.01 -0.07 -0.32 0.00 -2.87 0.00 0.00 58.31 55.03 2yyh n LYS 33 Cb 0.45 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 32.12 2yyh n LYS 33 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2yyh s TYR 34 N -2.80 3.48 0.22 2.13 2.02 -1.26 -4.78 117.35 116.35 2yyh s TYR 34 Ca -0.08 0.76 -0.32 0.00 -0.37 0.00 0.00 57.07 57.06 2yyh s TYR 34 Cb 0.08 -2.16 -0.12 0.00 -0.40 0.00 0.00 41.96 39.36 2yyh s TYR 34 CO 0.78 0.38 1.70 -1.25 -1.57 0.00 0.00 175.55 175.58 2yyh s PRO 35 N -2.57 4.13 0.09 -1.71 0.04 -1.26 -3.21 135.00 130.52 2yyh s PRO 35 Ca 0.42 2.59 -0.31 0.00 0.04 0.00 0.00 61.00 63.75 2yyh s PRO 35 Cb -0.12 -3.07 -0.07 0.00 0.04 0.00 0.00 34.50 31.28 2yyh s PRO 35 CO 0.22 -0.73 1.37 -2.14 0.04 0.00 0.00 177.00 175.76 2yyh s PRO 36 N 0.91 4.33 -0.14 0.56 0.02 -1.26 -5.06 135.00 134.35 2yyh s PRO 36 Ca 0.73 2.03 -0.27 0.00 0.02 0.00 0.00 61.00 63.50 2yyh s PRO 36 Cb -0.49 -3.31 -0.01 0.00 0.02 0.00 0.00 34.50 30.71 2yyh s PRO 36 CO 0.34 -0.44 0.92 0.08 -0.33 0.00 0.00 177.00 177.57 2yyh s VAL 37 N 1.29 4.83 -5.00 3.83 1.01 -1.20 -4.78 120.40 120.39 2yyh s VAL 37 Ca 0.64 1.83 0.00 0.00 0.00 0.00 0.00 61.98 64.45 2yyh s VAL 37 Cb -0.35 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.81 2yyh s VAL 37 CO 0.30 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2yyh n GLY 38 N 3.28 -1.06 3.78 4.51 0.00 -1.15 -4.90 105.19 109.65 2yyh n GLY 38 Ca 0.07 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.32 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 4.57 0.15 0.99 2.96 -0.05 -0.34 118.68 126.96 2yyh s LEU 39 Ca 0.00 1.58 -0.17 0.00 -0.22 0.00 0.00 54.13 55.32 2yyh s LEU 39 Cb 0.00 -3.25 0.03 0.00 0.50 0.00 0.00 46.19 43.47 2yyh s LEU 39 CO 0.00 0.21 0.45 0.00 -1.32 0.00 0.00 176.35 175.69 2yyh s ALA 40 N -1.17 -0.92 0.51 5.97 0.00 0.98 -1.16 121.76 125.98 2yyh s ALA 40 Ca 0.35 -0.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.99 2yyh s ALA 40 Cb -0.22 0.77 -0.08 0.00 0.00 0.00 0.00 23.12 23.59 2yyh s ALA 40 CO 0.25 -0.70 1.06 -0.51 0.00 0.00 0.00 175.76 175.85 2yyh s LEU 41 N -2.83 3.79 0.26 0.00 1.43 -1.26 0.42 118.68 120.50 2yyh s LEU 41 Ca 0.06 1.96 -0.30 0.00 -1.03 0.00 0.00 54.13 54.82 2yyh s LEU 41 Cb 0.01 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.57 2yyh s LEU 41 CO -0.08 -0.90 1.08 -2.16 0.23 0.00 0.00 176.35 174.52 2yyh s PRO 42 N -3.32 4.66 0.00 1.29 0.04 -1.26 -4.76 135.00 131.65 2yyh s PRO 42 Ca 0.68 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2yyh s PRO 42 Cb -0.18 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2yyh s PRO 42 CO 0.23 0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.91 2yyh n GLY 43 N 1.33 -1.55 3.38 0.56 0.00 -1.26 -1.89 105.19 105.76 2yyh n GLY 43 Ca -0.01 -1.08 -0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.24 0.48 3.79 -0.02 0.00 -0.42 -4.99 105.19 103.79 2yyh n GLY 44 Ca 0.00 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.40 3.09 -0.05 1.61 0.08 -1.26 -0.78 117.98 118.27 2yyh s PHE 45 Ca 0.23 1.60 -0.21 0.00 0.12 0.00 0.00 56.93 58.67 2yyh s PHE 45 Cb -0.02 -3.08 -0.05 0.00 -0.57 0.00 0.00 43.02 39.31 2yyh s PHE 45 CO 0.02 -0.75 0.60 0.08 -0.10 0.00 0.00 175.22 175.07 2yyh s VAL 46 N -1.89 5.02 0.39 -0.44 1.01 0.06 -4.85 120.40 119.70 2yyh s VAL 46 Ca 0.64 1.24 -0.13 0.00 0.00 0.00 0.00 61.98 63.73 2yyh s VAL 46 Cb -0.18 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 2yyh s VAL 46 CO 0.22 0.35 0.79 -1.61 0.00 0.00 0.00 175.10 174.84 2yyh s GLU 47 N 0.31 3.90 0.35 2.72 2.02 -1.26 -4.84 118.70 121.89 2yyh s GLU 47 Ca 0.32 0.63 -0.29 0.00 0.02 0.00 0.00 54.97 55.65 2yyh s GLU 47 Cb -0.17 -2.37 -0.11 0.00 0.10 0.00 0.00 34.13 31.58 2yyh s GLU 47 CO 0.16 0.01 1.42 0.08 0.02 0.00 0.00 175.26 176.94 2yyh s VAL 48 N -2.25 2.36 0.00 2.63 1.01 -1.26 -1.87 120.40 121.02 2yyh s VAL 48 Ca 0.54 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.87 2yyh s VAL 48 Cb -0.10 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2yyh s VAL 48 CO 0.25 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.05 2yyh n GLY 49 N 0.78 0.50 3.34 4.51 0.00 -1.26 -5.03 105.19 108.04 2yyh n GLY 49 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.06 2.21 0.46 1.61 2.12 -0.78 -5.12 118.70 119.13 2yyh s GLU 50 Ca 0.00 -0.89 -0.21 0.00 0.36 0.00 0.00 54.97 54.23 2yyh s GLU 50 Cb 0.00 -2.11 -0.09 0.00 0.26 0.00 0.00 34.13 32.19 2yyh s GLU 50 CO 0.00 0.56 1.03 1.03 -0.54 0.00 0.00 175.26 177.34 2yyh s ARG 51 N -0.60 3.96 0.20 4.30 0.52 -1.26 -4.75 118.95 121.31 2yyh s ARG 51 Ca 0.09 1.36 -0.11 0.00 -0.52 0.00 0.00 55.73 56.56 2yyh s ARG 51 Cb -0.10 -2.22 0.19 0.00 0.52 0.00 0.00 34.95 33.34 2yyh s ARG 51 CO -0.00 -0.30 1.80 0.28 0.02 0.00 0.00 175.30 177.10 2yyh h VAL 52 N 1.77 0.98 -0.18 3.52 2.07 -1.99 -0.69 116.25 121.73 2yyh h VAL 52 Ca -0.49 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 2yyh h VAL 52 Cb 1.21 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2yyh h VAL 52 CO 0.60 0.11 0.01 -0.33 0.02 0.00 0.00 177.57 177.99 2yyh h GLU 53 N 0.62 0.26 -0.13 1.57 3.07 -1.99 -0.82 114.58 117.16 2yyh h GLU 53 Ca 0.27 -0.03 -0.22 0.00 -0.50 0.00 0.00 59.36 58.87 2yyh h GLU 53 Cb 0.15 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.02 2yyh h GLU 53 CO -0.16 0.27 -0.78 0.93 -1.40 0.00 0.00 179.01 177.87 2yyh h GLU 54 N 0.26 0.71 -0.57 2.33 5.08 -1.67 -1.87 114.58 118.85 2yyh h GLU 54 Ca 0.06 -0.58 -0.08 0.00 -1.00 0.00 0.00 59.36 57.76 2yyh h GLU 54 Cb 0.16 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2yyh h GLU 54 CO 0.00 1.20 0.04 0.00 -1.00 0.00 0.00 179.01 179.25 2yyh h ALA 55 N 0.64 0.99 -0.12 3.43 0.00 -0.51 -0.30 119.26 123.39 2yyh h ALA 55 Ca -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2yyh h ALA 55 Cb 1.40 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2yyh h ALA 55 CO 0.15 0.62 0.02 0.00 0.00 0.00 0.00 179.25 180.05 2yyh h ALA 56 N 1.14 0.16 -0.81 0.00 0.00 -1.13 -0.29 119.26 118.33 2yyh h ALA 56 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2yyh h ALA 56 Cb 0.47 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2yyh h ALA 56 CO 0.02 -0.19 0.52 0.00 0.00 0.00 0.00 179.25 179.60 2yyh h ALA 57 N 0.80 1.03 -0.14 0.00 0.00 -1.16 -2.82 119.26 116.97 2yyh h ALA 57 Ca 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2yyh h ALA 57 Cb 0.29 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2yyh h ALA 57 CO 0.00 0.46 0.01 -0.09 0.00 0.00 0.00 179.25 179.63 2yyh h ARG 58 N 1.10 0.23 -1.80 0.00 2.43 -0.93 -2.71 114.38 112.71 2yyh h ARG 58 Ca 0.30 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2yyh h ARG 58 Cb -0.10 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2yyh h ARG 58 CO -0.06 0.44 0.00 0.39 -1.51 0.00 0.00 179.97 179.23 2yyh n GLU 59 N -4.80 0.00 0.00 0.20 -0.58 -0.13 -1.53 120.64 113.81 2yyh n GLU 59 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 2yyh n GLU 59 Cb 0.19 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 2yyh n GLU 59 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2yyh n ARG 61 N 0.95 0.00 -0.06 3.49 1.74 -1.02 0.15 116.66 121.91 2yyh n ARG 61 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 2yyh n ARG 61 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 2yyh n ARG 61 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2yyh h GLU 62 N 0.00 0.32 0.03 5.56 4.81 -1.55 -0.72 114.58 123.03 2yyh h GLU 62 Ca 0.00 -0.11 -0.29 0.00 -0.13 0.00 0.00 59.36 58.83 2yyh h GLU 62 Cb 0.00 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 2yyh h GLU 62 CO 0.00 0.55 -1.63 0.93 -0.73 0.00 0.00 179.01 178.14 2yyh h GLU 63 N 0.05 0.07 0.00 1.92 5.08 -0.55 -3.22 114.58 117.93 2yyh h GLU 63 Ca 0.05 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2yyh h GLU 63 Cb 0.42 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2yyh h GLU 63 CO 0.01 0.75 -0.13 0.25 -1.00 0.00 0.00 179.01 178.88 2yyh n THR 64 N -3.20 0.00 -1.18 1.13 -2.24 -1.26 -3.90 114.28 103.62 2yyh n THR 64 Ca -0.17 -0.44 -0.06 0.00 -2.27 0.00 0.00 64.05 61.11 2yyh n THR 64 Cb 1.04 0.97 -0.03 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 1.12 0.76 3.93 3.38 0.00 -0.28 -0.27 105.19 113.83 2yyh n GLY 65 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.43 4.29 -0.66 0.99 1.43 -1.26 -4.81 118.68 117.23 2yyh s LEU 66 Ca 0.00 0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.29 2yyh s LEU 66 Cb 0.00 -3.06 0.17 0.00 0.03 0.00 0.00 46.19 43.32 2yyh s LEU 66 CO 0.00 0.03 0.59 -0.70 0.23 0.00 0.00 176.35 176.51 2yyh s GLU 67 N -3.08 3.16 -0.14 1.70 2.56 -1.26 -3.48 118.70 118.15 2yyh s GLU 67 Ca 0.37 -2.10 -0.14 0.00 0.00 0.00 0.00 54.97 53.10 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 0.28 -1.28 0.30 0.08 -0.56 0.00 0.00 175.26 174.08 2yyh s VAL 68 N 0.83 5.29 -0.39 3.70 1.01 -1.26 -4.56 120.40 125.02 2yyh s VAL 68 Ca 0.11 0.56 -0.16 0.00 0.00 0.00 0.00 61.98 62.49 2yyh s VAL 68 Cb -0.20 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.56 2yyh s VAL 68 CO -0.03 0.41 0.36 -0.60 0.00 0.00 0.00 175.10 175.24 2yyh s ARG 69 N 0.27 3.23 0.34 2.72 3.52 -0.52 -4.91 118.95 123.60 2yyh s ARG 69 Ca 0.17 -0.72 -0.29 0.00 -0.13 0.00 0.00 55.73 54.76 2yyh s ARG 69 Cb -0.13 -3.91 -0.11 0.00 -1.56 0.00 0.00 34.95 29.24 2yyh s ARG 69 CO 0.05 -0.69 1.48 -0.51 -0.81 0.00 0.00 175.30 174.81 2yyh s LEU 70 N 1.94 4.34 -0.05 -0.88 1.43 -1.26 -1.99 118.68 122.21 2yyh s LEU 70 Ca 0.09 2.95 0.03 0.00 -1.03 0.00 0.00 54.13 56.17 2yyh s LEU 70 Cb -0.17 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 2yyh s LEU 70 CO 0.12 -0.82 -0.01 1.57 0.23 0.00 0.00 176.35 177.43 2yyh n HIS 71 N 1.05 0.00 -3.64 0.29 -0.00 0.11 -4.92 115.22 108.12 2yyh n HIS 71 Ca 0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.61 2yyh n HIS 71 Cb 0.39 -0.23 -0.07 0.00 -0.00 0.00 0.00 29.99 30.08 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 -2.12 0.80 0.73 1.57 2.47 -0.90 -4.99 119.74 117.31 2yyh s LYS 72 Ca -0.05 0.78 -0.11 0.00 -1.56 0.00 0.00 55.97 55.03 2yyh s LYS 72 Cb 0.02 0.39 0.03 0.00 -1.46 0.00 0.00 37.83 36.81 2yyh s LYS 72 CO 0.17 -0.13 1.10 -1.17 0.16 0.00 0.00 175.35 175.48 2yyh s LEU 73 N 0.07 2.80 0.51 5.43 2.96 -1.26 -1.18 118.68 128.01 2yyh s LEU 73 Ca -0.02 1.16 0.09 0.00 -0.22 0.00 0.00 54.13 55.14 2yyh s LEU 73 Cb -0.04 -3.89 0.05 0.00 0.50 0.00 0.00 46.19 42.81 2yyh s LEU 73 CO 0.02 -1.53 0.68 -0.83 -1.32 0.00 0.00 176.35 173.38 2yyh s GLY 75 N -4.25 1.84 -0.09 7.98 0.00 -1.06 -4.94 107.32 106.79 2yyh s GLY 75 Ca 0.59 -1.93 0.01 0.00 0.00 0.00 0.00 44.72 43.39 2yyh s GLY 75 CO 0.52 -1.62 -0.10 0.14 0.00 0.00 0.00 173.10 172.05 2yyh s VAL 76 N -2.54 1.08 -0.19 1.40 1.01 -1.26 -0.63 120.40 119.27 2yyh s VAL 76 Ca 0.58 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 2yyh s VAL 76 Cb -0.07 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 2yyh s VAL 76 CO 0.36 0.36 -0.04 -0.31 0.00 0.00 0.00 175.10 175.47 2yyh s TYR 77 N 1.29 2.97 -0.04 5.22 2.02 -0.24 -4.97 117.35 123.61 2yyh s TYR 77 Ca -0.03 -0.63 0.12 0.00 -0.37 0.00 0.00 57.07 56.17 2yyh s TYR 77 Cb -0.14 -2.03 0.22 0.00 -0.40 0.00 0.00 41.96 39.62 2yyh s TYR 77 CO -0.04 -0.31 1.10 -1.13 -1.57 0.00 0.00 175.55 173.60 2yyh n SER 78 N 4.20 0.79 -4.67 2.29 3.41 -1.26 -1.36 113.62 117.02 2yyh n SER 78 Ca -0.18 -2.31 -0.46 0.00 -0.26 0.00 0.00 58.87 55.66 2yyh n SER 78 Cb 0.52 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.13 2yyh n SER 78 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2yyh n ASP 79 N -0.10 3.07 -0.23 4.04 -0.08 -1.26 -4.82 116.55 117.17 2yyh n ASP 79 Ca 0.06 1.08 0.24 0.00 -1.51 0.00 0.00 54.79 54.66 2yyh n ASP 79 Cb 0.85 -1.42 0.60 0.00 2.34 0.00 0.00 41.12 43.49 2yyh n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2yyh h PRO 80 N 5.93 0.22 -0.39 -0.67 0.11 -1.97 -1.55 132.00 133.69 2yyh h PRO 80 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2yyh h PRO 80 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2yyh h PRO 80 CO 0.89 0.15 0.00 0.39 -0.21 0.00 0.00 178.00 179.22 2yyh n GLU 81 N -4.42 2.50 -0.16 1.05 1.02 -1.26 -4.54 120.64 114.82 2yyh n GLU 81 Ca 0.20 -2.26 0.09 0.00 -0.02 0.00 0.00 57.16 55.17 2yyh n GLU 81 Cb 0.83 -1.51 0.41 0.00 -0.02 0.00 0.00 31.44 31.15 2yyh n GLU 81 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 2yyh h ARG 82 N 4.42 0.61 -5.10 3.49 0.11 -1.62 -3.39 114.38 112.90 2yyh h ARG 82 Ca 0.00 -0.04 -0.66 0.00 0.10 0.00 0.00 59.98 59.38 2yyh h ARG 82 Cb 0.97 -0.14 -0.34 0.00 1.11 0.00 0.00 29.97 31.57 2yyh h ARG 82 CO 0.00 0.40 -0.86 0.34 0.10 0.00 0.00 179.97 179.95 2yyh s ASP 83 N -6.15 3.03 0.41 0.08 -1.08 -1.26 -3.75 116.67 107.95 2yyh s ASP 83 Ca -0.09 -0.59 0.21 0.00 -0.52 0.00 0.00 52.55 51.55 2yyh s ASP 83 Cb 0.20 -1.41 0.85 0.00 -1.46 0.00 0.00 42.92 41.11 2yyh s ASP 83 CO 0.77 0.05 1.81 1.55 0.52 0.00 0.00 175.17 179.87 2yyh h PRO 84 N 7.51 0.00 -0.60 4.34 0.13 -1.93 -3.27 132.00 138.19 2yyh h PRO 84 Ca -0.36 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.67 2yyh h PRO 84 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2yyh h PRO 84 CO 0.57 0.30 -0.02 0.00 -0.23 0.00 0.00 178.00 178.61 2yyh h ARG 85 N 0.00 1.07 -1.69 0.86 3.08 -1.96 -3.47 114.38 112.26 2yyh h ARG 85 Ca -0.00 -0.35 0.29 0.00 0.07 0.00 0.00 59.98 59.99 2yyh h ARG 85 Cb 0.76 -0.09 -0.11 0.00 0.08 0.00 0.00 29.97 30.61 2yyh h ARG 85 CO 0.04 1.05 0.76 0.00 -1.07 0.00 0.00 179.97 180.75 2yyh s ALA 86 N -4.99 -2.12 -0.42 0.04 0.00 -1.23 -5.08 121.76 107.96 2yyh s ALA 86 Ca -0.12 0.52 -0.28 0.00 0.00 0.00 0.00 51.96 52.08 2yyh s ALA 86 Cb 0.13 0.45 -0.00 0.00 0.00 0.00 0.00 23.12 23.71 2yyh s ALA 86 CO 0.86 -1.06 1.59 -1.58 0.00 0.00 0.00 175.76 175.57 2yyh s HIS 87 N -2.57 2.10 -0.08 0.00 5.65 -1.26 -4.44 115.29 114.70 2yyh s HIS 87 Ca 0.15 0.64 0.04 0.00 0.25 0.00 0.00 55.06 56.14 2yyh s HIS 87 Cb 0.03 -4.24 -0.01 0.00 -1.18 0.00 0.00 32.58 27.18 2yyh s HIS 87 CO -0.02 -2.36 -0.22 0.08 -0.65 0.00 0.00 174.74 171.57 2yyh s VAL 88 N 6.39 2.34 -0.16 0.89 1.01 -1.26 -1.51 120.40 128.10 2yyh s VAL 88 Ca 0.67 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 2yyh s VAL 88 Cb -0.16 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2yyh s VAL 88 CO 0.31 0.56 -0.01 -0.69 0.00 0.00 0.00 175.10 175.27 2yyh s VAL 89 N -0.06 4.14 -0.11 2.92 1.01 -0.20 -4.70 120.40 123.40 2yyh s VAL 89 Ca -0.06 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.66 2yyh s VAL 89 Cb -0.14 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2yyh s VAL 89 CO 0.05 0.49 -0.13 -0.55 0.00 0.00 0.00 175.10 174.96 2yyh s SER 90 N 0.31 4.05 -0.39 3.32 0.15 -0.47 -0.74 113.70 119.93 2yyh s SER 90 Ca -0.02 -0.29 -0.17 0.00 0.70 0.00 0.00 55.95 56.18 2yyh s SER 90 Cb -0.14 -1.43 0.01 0.00 -1.71 0.00 0.00 66.02 62.75 2yyh s SER 90 CO 0.02 0.21 0.44 -0.69 1.20 0.00 0.00 173.24 174.42 2yyh s VAL 91 N 0.07 5.08 -0.18 4.45 1.01 -0.20 -1.08 120.40 129.56 2yyh s VAL 91 Ca -0.05 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 2yyh s VAL 91 Cb -0.15 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 2yyh s VAL 91 CO 0.04 -0.30 0.19 -0.69 0.00 0.00 0.00 175.10 174.34 2yyh s VAL 92 N 2.19 5.38 0.26 2.92 1.01 0.19 -1.98 120.40 130.37 2yyh s VAL 92 Ca 0.14 0.31 0.11 0.00 0.00 0.00 0.00 61.98 62.54 2yyh s VAL 92 Cb -0.16 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 2yyh s VAL 92 CO 0.13 0.44 -0.11 0.26 0.00 0.00 0.00 175.10 175.82 2yyh s TRP 93 N 0.27 2.49 -0.14 5.22 0.52 -0.52 -2.57 118.94 124.21 2yyh s TRP 93 Ca 0.11 -0.28 -0.01 0.00 0.02 0.00 0.00 56.10 55.94 2yyh s TRP 93 Cb -0.12 -1.11 -0.02 0.00 -1.15 0.00 0.00 33.47 31.07 2yyh s TRP 93 CO 0.00 0.65 -0.10 0.42 0.02 0.00 0.00 176.95 177.94 2yyh s ILE 94 N -2.31 3.32 0.35 2.03 1.01 -0.33 -0.40 121.20 124.88 2yyh s ILE 94 Ca 0.30 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.43 2yyh s ILE 94 Cb -0.06 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 2yyh s ILE 94 CO 0.17 0.52 0.20 -0.83 0.00 0.00 0.00 174.94 175.00 2yyh s GLY 95 N 0.33 2.34 0.07 6.18 0.00 0.13 0.10 107.32 116.48 2yyh s GLY 95 Ca -0.09 -1.73 0.03 0.00 0.00 0.00 0.00 44.72 42.94 2yyh s GLY 95 CO 0.05 -1.60 -0.09 0.99 0.00 0.00 0.00 173.10 172.44 2yyh s ASP 96 N -3.44 1.24 0.03 1.64 1.01 -0.84 -0.59 116.67 115.72 2yyh s ASP 96 Ca 0.34 -0.72 -0.19 0.00 0.71 0.00 0.00 52.55 52.70 2yyh s ASP 96 Cb 0.03 0.02 0.04 0.00 1.01 0.00 0.00 42.92 44.02 2yyh s ASP 96 CO 0.21 -0.24 0.43 0.00 0.21 0.00 0.00 175.17 175.78 2yyh s ALA 97 N -2.05 -1.05 0.38 5.23 0.00 -0.72 -1.44 121.76 122.11 2yyh s ALA 97 Ca -0.00 0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.43 2yyh s ALA 97 Cb -0.05 0.30 -0.06 0.00 0.00 0.00 0.00 23.12 23.31 2yyh s ALA 97 CO -0.00 -0.43 0.09 -0.65 0.00 0.00 0.00 175.76 174.76 2yyh s GLN 98 N -2.27 2.13 0.25 0.00 -1.52 -1.26 -0.82 119.66 116.17 2yyh s GLN 98 Ca -0.07 -1.84 0.00 0.00 -1.95 0.00 0.00 55.36 51.50 2yyh s GLN 98 Cb -0.01 -1.91 0.00 0.00 -0.22 0.00 0.00 33.01 30.87 2yyh s GLN 98 CO -0.01 -0.00 0.00 0.41 -0.25 0.00 0.00 175.29 175.44 2yyh n GLY 99 N -1.08 -2.62 3.57 3.09 0.00 -1.25 -4.74 105.19 102.15 2yyh n GLY 99 Ca -0.03 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 2yyh n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yyh s GLU 100 N -0.59 3.86 0.78 1.61 0.41 -1.26 -4.89 118.70 118.62 2yyh s GLU 100 Ca 0.00 -0.40 -0.12 0.00 -0.41 0.00 0.00 54.97 54.05 2yyh s GLU 100 Cb 0.00 -3.25 0.06 0.00 -1.78 0.00 0.00 34.13 29.16 2yyh s GLU 100 CO 0.00 0.11 1.16 -1.25 -0.49 0.00 0.00 175.26 174.78 2yyh s PRO 101 N 0.82 2.19 -0.29 0.39 0.04 -1.26 -4.85 135.00 132.03 2yyh s PRO 101 Ca 0.03 0.19 -0.17 0.00 0.04 0.00 0.00 61.00 61.09 2yyh s PRO 101 Cb -0.14 -1.97 0.16 0.00 0.04 0.00 0.00 34.50 32.59 2yyh s PRO 101 CO 0.02 -1.45 1.08 0.21 0.04 0.00 0.00 177.00 176.90 2yyh s LYS 102 N -5.52 0.29 0.57 4.56 2.36 0.62 -5.00 119.74 117.62 2yyh s LYS 102 Ca 0.61 0.48 -0.18 0.00 -2.55 0.00 0.00 55.97 54.32 2yyh s LYS 102 Cb -0.11 0.07 -0.08 0.00 -1.05 0.00 0.00 37.83 36.66 2yyh s LYS 102 CO 0.50 -0.06 0.67 0.00 1.55 0.00 0.00 175.35 178.01 2yyh n ALA 103 N 3.32 -0.71 1.05 3.13 0.00 -1.26 -3.52 120.51 122.51 2yyh n ALA 103 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.38 2yyh n ALA 103 Cb 0.57 -1.92 0.07 0.00 0.00 0.00 0.00 19.45 18.17 2yyh n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yyh n GLY 104 N 1.61 -0.03 3.59 0.00 0.00 -1.22 -4.92 105.19 104.23 2yyh n GLY 104 Ca 0.12 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 2yyh n GLY 104 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yyh s SER 105 N -2.46 -0.60 0.00 1.61 0.15 -1.26 -5.02 113.70 106.12 2yyh s SER 105 Ca 0.20 0.92 0.10 0.00 0.70 0.00 0.00 55.95 57.87 2yyh s SER 105 Cb 0.18 0.85 0.48 0.00 -1.71 0.00 0.00 66.02 65.82 2yyh s SER 105 CO 0.55 -0.37 1.25 0.47 1.20 0.00 0.00 173.24 176.34 2yyh n ASP 106 N 1.66 0.00 0.06 5.45 9.92 -1.26 -1.06 116.55 131.32 2yyh n ASP 106 Ca -0.15 0.26 0.13 0.00 -0.53 0.00 0.00 54.79 54.50 2yyh n ASP 106 Cb 0.56 -0.35 0.35 0.00 -0.64 0.00 0.00 41.12 41.04 2yyh n ASP 106 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yyh n ALA 107 N -1.35 2.65 -3.48 2.24 0.00 -1.26 -4.34 120.51 114.96 2yyh n ALA 107 Ca 0.04 -0.15 -0.27 0.00 0.00 0.00 0.00 53.44 53.07 2yyh n ALA 107 Cb 0.09 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.11 2yyh n ALA 107 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2yyh n LYS 108 N -2.00 0.89 -2.39 0.00 4.76 -0.22 -2.01 118.16 117.18 2yyh n LYS 108 Ca 0.05 -3.64 -0.41 0.00 -2.87 0.00 0.00 58.31 51.44 2yyh n LYS 108 Cb 0.41 -1.79 -0.03 0.00 -1.84 0.00 0.00 35.03 31.77 2yyh n LYS 108 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2yyh s LYS 109 N -0.76 4.47 0.10 1.97 1.02 -1.16 -4.49 119.74 120.90 2yyh s LYS 109 Ca 0.32 1.84 -0.17 0.00 0.02 0.00 0.00 55.97 57.98 2yyh s LYS 109 Cb 0.05 -3.28 -0.07 0.00 -0.52 0.00 0.00 37.83 34.02 2yyh s LYS 109 CO -0.16 -0.15 0.56 0.14 -0.92 0.00 0.00 175.35 174.82 2yyh s VAL 110 N 0.37 4.79 -0.06 3.17 -7.23 -1.26 -0.82 120.40 119.34 2yyh s VAL 110 Ca 0.55 1.06 -0.06 0.00 -1.81 0.00 0.00 61.98 61.72 2yyh s VAL 110 Cb -0.32 -3.83 0.02 0.00 0.56 0.00 0.00 36.38 32.82 2yyh s VAL 110 CO 0.34 0.43 0.17 -0.75 -0.31 0.00 0.00 175.10 174.98 2yyh s LYS 111 N -1.45 0.19 -0.19 4.82 2.47 -0.46 -4.94 119.74 120.19 2yyh s LYS 111 Ca 0.32 0.25 -0.08 0.00 -1.56 0.00 0.00 55.97 54.91 2yyh s LYS 111 Cb -0.18 0.08 -0.04 0.00 -1.46 0.00 0.00 37.83 36.23 2yyh s LYS 111 CO 0.19 -0.03 0.07 0.08 0.16 0.00 0.00 175.35 175.81 2yyh s VAL 112 N 0.16 4.78 -0.04 4.02 1.01 -1.26 -0.63 120.40 128.43 2yyh s VAL 112 Ca -0.01 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 61.99 2yyh s VAL 112 Cb -0.02 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2yyh s VAL 112 CO -0.00 0.45 -0.22 -0.31 0.00 0.00 0.00 175.10 175.02 2yyh s TYR 113 N 0.48 2.08 0.52 5.22 2.02 -0.06 -4.95 117.35 122.66 2yyh s TYR 113 Ca 0.03 -0.56 -0.21 0.00 -0.37 0.00 0.00 57.07 55.97 2yyh s TYR 113 Cb -0.13 -1.37 -0.06 0.00 -0.40 0.00 0.00 41.96 40.00 2yyh s TYR 113 CO 0.01 -0.15 1.16 1.03 -1.57 0.00 0.00 175.55 176.03 2yyh s ARG 114 N -0.19 3.46 0.55 -0.62 0.52 -1.26 -0.55 118.95 120.87 2yyh s ARG 114 Ca -0.01 1.73 0.24 0.00 -0.52 0.00 0.00 55.73 57.17 2yyh s ARG 114 Cb -0.12 -2.16 1.55 0.00 0.52 0.00 0.00 34.95 34.74 2yyh s ARG 114 CO 0.02 -0.79 2.19 -0.07 0.02 0.00 0.00 175.30 176.67 2yyh h LEU 115 N 1.51 0.00 0.00 2.53 3.38 -1.93 -1.33 115.31 119.46 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 0.58 0.02 -0.14 -0.62 0.09 0.00 0.00 178.44 178.36 2yyh n GLU 116 N -4.12 0.14 -0.30 1.13 4.71 -1.26 -3.96 120.64 116.98 2yyh n GLU 116 Ca -0.03 0.09 0.08 0.00 -0.01 0.00 0.00 57.16 57.30 2yyh n GLU 116 Cb 0.10 -1.64 0.19 0.00 -1.01 0.00 0.00 31.44 29.09 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 -1.87 1.96 -2.48 3.49 1.02 -0.51 -5.01 120.64 117.24 2yyh n GLU 117 Ca 0.06 -2.77 -0.42 0.00 -0.02 0.00 0.00 57.16 54.00 2yyh n GLU 117 Cb 0.39 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 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 -2.91 4.33 -1.22 -3.67 1.01 -1.20 -4.82 121.20 112.72 2yyh s ILE 118 Ca 0.37 1.64 -0.20 0.00 0.00 0.00 0.00 60.65 62.46 2yyh s ILE 118 Cb 0.32 -4.05 0.04 0.00 0.01 0.00 0.00 42.46 38.78 2yyh s ILE 118 CO 0.04 -0.03 1.72 -2.16 0.00 0.00 0.00 174.94 174.52 2yyh s PRO 119 N 2.43 3.67 0.47 2.79 0.04 -1.26 -4.79 135.00 138.34 2yyh s PRO 119 Ca 0.54 -1.68 0.26 0.00 0.04 0.00 0.00 61.00 60.16 2yyh s PRO 119 Cb -0.23 -5.45 1.29 0.00 0.04 0.00 0.00 34.50 30.15 2yyh s PRO 119 CO 0.20 -2.52 1.82 -0.07 0.04 0.00 0.00 177.00 176.46 2yyh h LEU 120 N 13.48 0.23 -1.67 -3.56 3.38 -1.99 0.86 115.31 126.05 2yyh h LEU 120 Ca 0.36 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 2yyh h LEU 120 Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2yyh h LEU 120 CO 1.41 0.06 -0.05 -2.24 0.09 0.00 0.00 178.44 177.72 2yyh h ASP 121 N 0.21 0.00 0.04 -0.43 2.03 -2.03 -2.85 116.42 113.39 2yyh h ASP 121 Ca 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.83 2yyh h ASP 121 Cb 1.69 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.19 2yyh h ASP 121 CO -0.14 0.05 -0.10 0.29 -1.03 0.00 0.00 179.24 178.30 2yyh n LYS 122 N -3.19 1.58 -2.62 4.15 5.02 0.29 -4.92 118.16 118.47 2yyh n LYS 122 Ca -0.00 -1.07 -0.40 0.00 -2.02 0.00 0.00 58.31 54.81 2yyh n LYS 122 Cb 0.28 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.77 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 -2.15 4.57 0.00 -0.35 1.43 -1.08 -0.87 118.68 120.23 2yyh s LEU 123 Ca 0.31 2.05 0.04 0.00 -1.03 0.00 0.00 54.13 55.50 2yyh s LEU 123 Cb 0.20 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.85 2yyh s LEU 123 CO 0.39 -0.03 0.35 1.33 0.23 0.00 0.00 176.35 178.62 2yyh n VAL 124 N 1.73 0.00 -3.94 -1.59 0.24 -0.31 -4.76 118.33 109.70 2yyh n VAL 124 Ca -0.00 -1.01 0.00 0.00 -2.04 0.00 0.00 64.34 61.29 2yyh n VAL 124 Cb 0.46 -0.62 0.00 0.00 -1.47 0.00 0.00 33.84 32.22 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 -1.50 0.00 -1.06 6.34 3.72 -1.26 -1.93 117.46 121.76 2yyh n PHE 125 Ca 0.06 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.51 2yyh n PHE 125 Cb 0.31 0.05 0.26 0.00 -0.94 0.00 0.00 39.48 39.15 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 -0.62 3.78 0.26 4.37 5.75 -1.25 -4.68 116.55 124.16 2yyh n ASP 126 Ca 0.00 -3.14 0.18 0.00 -0.01 0.00 0.00 54.79 51.81 2yyh n ASP 126 Cb 0.00 -0.57 0.92 0.00 -1.03 0.00 0.00 41.12 40.43 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 1.77 0.00 -0.19 2.11 3.86 -1.72 -0.22 115.15 120.76 2yyh h HIS 127 Ca 0.05 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.17 2yyh h HIS 127 Cb 1.55 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.02 2yyh h HIS 127 CO 0.64 0.00 -0.22 -0.22 0.86 0.00 0.00 177.93 178.98 2yyh h LYS 128 N 0.00 0.49 -0.45 2.45 3.64 -1.84 -0.11 116.57 120.75 2yyh h LYS 128 Ca 0.00 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.13 2yyh h LYS 128 Cb 0.07 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 2yyh h LYS 128 CO 0.00 0.85 0.25 -0.22 -2.27 0.00 0.00 179.45 178.07 2yyh h LYS 129 N 0.15 0.50 -0.18 1.90 3.64 -1.44 -0.75 116.57 120.38 2yyh h LYS 129 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2yyh h LYS 129 Cb 0.78 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 2yyh h LYS 129 CO 0.05 0.33 0.06 0.82 -2.27 0.00 0.00 179.45 178.44 2yyh h ILE 130 N 0.51 1.18 -0.63 2.00 2.04 -1.27 -1.48 117.51 119.85 2yyh h ILE 130 Ca 0.18 -0.56 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 2yyh h ILE 130 Cb 0.03 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 2yyh h ILE 130 CO -0.09 0.17 0.14 0.40 0.00 0.00 0.00 178.15 178.77 2yyh h ILE 131 N 0.12 1.25 -0.54 -0.67 2.04 -0.82 -1.55 117.51 117.34 2yyh h ILE 131 Ca 0.06 -0.94 -0.10 0.00 1.00 0.00 0.00 64.86 64.88 2yyh h ILE 131 Cb 0.22 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2yyh h ILE 131 CO -0.00 0.35 -0.05 -0.07 0.00 0.00 0.00 178.15 178.38 2yyh h LEU 132 N 0.96 0.95 -0.92 1.44 3.38 -1.06 -0.36 115.31 119.69 2yyh h LEU 132 Ca 0.20 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2yyh h LEU 132 Cb 0.37 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2yyh h LEU 132 CO 0.00 1.03 0.60 0.44 0.09 0.00 0.00 178.44 180.61 2yyh h ASP 133 N 0.87 1.06 0.18 -0.43 3.32 -0.83 0.35 116.42 120.95 2yyh h ASP 133 Ca 0.15 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2yyh h ASP 133 Cb 0.59 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2yyh h ASP 133 CO 0.04 0.78 -0.09 0.15 -1.72 0.00 0.00 179.24 178.39 2yyh h PHE 134 N 1.25 -0.23 -0.37 4.55 3.57 -0.86 0.18 116.94 125.03 2yyh h PHE 134 Ca 0.34 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.83 2yyh h PHE 134 Cb -0.13 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 2yyh h PHE 134 CO -0.01 -0.04 0.22 -0.07 -2.23 0.00 0.00 178.31 176.18 2yyh h LEU 135 N -0.38 0.43 -0.68 0.59 3.38 -0.68 -1.21 115.31 116.76 2yyh h LEU 135 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2yyh h LEU 135 Cb 0.30 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2yyh h LEU 135 CO 0.04 0.34 -0.03 0.29 0.09 0.00 0.00 178.44 179.17 2yyh n LYS 136 N -4.46 1.39 -1.91 1.13 5.02 0.08 -4.92 118.16 114.49 2yyh n LYS 136 Ca 0.02 -0.68 -0.15 0.00 -2.02 0.00 0.00 58.31 55.49 2yyh n LYS 136 Cb 0.08 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 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 1.16 0.53 2.81 0.72 0.00 -0.46 -4.90 105.19 105.04 2yyh n GLY 137 Ca 0.19 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.62 4.28 0.00 1.61 5.03 0.54 -5.02 115.26 121.08 2yyh n ASN 138 Ca -0.16 -2.92 0.00 0.00 0.87 0.00 0.00 54.58 52.36 2yyh n ASN 138 Cb 0.57 -1.61 0.00 0.00 -1.02 0.00 0.00 39.78 37.72 2yyh n ASN 138 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43