#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sy2 n THR 3 N 0.24 0.00 -4.37 0.00 -2.24 -1.26 -4.99 114.28 101.66 1sy2 n THR 3 Ca 0.03 -0.26 -0.34 0.00 -2.27 0.00 0.00 64.05 61.22 1sy2 n THR 3 Cb 0.50 1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 69.69 1sy2 n THR 3 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sy2 s LYS 4 N -0.44 3.67 -0.84 -0.78 -0.14 -1.26 -5.03 119.74 114.92 1sy2 s LYS 4 Ca 0.00 -0.50 -0.17 0.00 -1.36 0.00 0.00 55.97 53.94 1sy2 s LYS 4 Cb 0.00 -2.93 0.16 0.00 -1.68 0.00 0.00 37.83 33.38 1sy2 s LYS 4 CO 0.00 0.26 0.91 1.21 -0.76 0.00 0.00 175.35 176.98 1sy2 s ASN 5 N 0.31 6.62 0.31 2.83 2.47 -1.26 -5.04 114.94 121.18 1sy2 s ASN 5 Ca -0.03 -2.23 -0.29 0.00 0.42 0.00 0.00 52.86 50.73 1sy2 s ASN 5 Cb -0.14 -2.30 -0.10 0.00 -1.45 0.00 0.00 41.25 37.26 1sy2 s ASN 5 CO 0.03 -0.86 1.22 0.00 -3.72 0.00 0.00 177.10 173.76 1sy2 s ALA 6 N 1.61 3.46 -0.17 1.71 0.00 -1.26 -5.00 121.76 122.11 1sy2 s ALA 6 Ca 0.23 1.11 -0.16 0.00 0.00 0.00 0.00 51.96 53.14 1sy2 s ALA 6 Cb -0.10 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1sy2 s ALA 6 CO -0.07 -0.44 0.40 0.42 0.00 0.00 0.00 175.76 176.08 1sy2 s ILE 7 N -1.15 5.22 0.61 0.00 -1.09 -1.26 -5.00 121.20 118.52 1sy2 s ILE 7 Ca 0.47 0.75 -0.17 0.00 -2.23 0.00 0.00 60.65 59.48 1sy2 s ILE 7 Cb -0.36 -3.74 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 1sy2 s ILE 7 CO 0.48 0.30 1.10 0.00 -1.23 0.00 0.00 174.94 175.59 1sy2 s ALA 8 N 0.94 2.60 0.20 9.38 0.00 -1.26 -4.37 121.76 129.25 1sy2 s ALA 8 Ca 0.21 0.61 -0.32 0.00 0.00 0.00 0.00 51.96 52.45 1sy2 s ALA 8 Cb -0.14 -3.31 -0.14 0.00 0.00 0.00 0.00 23.12 19.52 1sy2 s ALA 8 CO 0.08 -1.01 1.46 0.94 0.00 0.00 0.00 175.76 177.23 1sy2 n GLN 9 N -1.95 2.03 -1.82 0.00 7.27 -0.11 -4.91 117.38 117.88 1sy2 n GLN 9 Ca 0.10 0.73 -0.42 0.00 0.07 0.00 0.00 57.00 57.48 1sy2 n GLN 9 Cb 0.52 -2.42 -0.03 0.00 2.41 0.00 0.00 30.24 30.72 1sy2 n GLN 9 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1sy2 s THR 10 N 0.32 2.48 -0.89 1.69 2.01 -1.26 -2.33 115.64 117.67 1sy2 s THR 10 Ca 0.73 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.96 1sy2 s THR 10 Cb -0.68 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 68.69 1sy2 s THR 10 CO 0.45 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 1sy2 n GLY 11 N 3.97 0.66 3.59 4.40 0.00 -1.26 -4.95 105.19 111.61 1sy2 n GLY 11 Ca 0.16 -0.58 -0.50 0.00 0.00 0.00 0.00 46.02 45.10 1sy2 n GLY 11 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sy2 n PHE 12 N -3.23 1.50 -3.36 1.61 7.35 -0.98 -4.91 117.46 115.44 1sy2 n PHE 12 Ca -0.10 0.62 -0.46 0.00 -0.76 0.00 0.00 57.45 56.75 1sy2 n PHE 12 Cb 0.41 -2.33 -0.04 0.00 0.35 0.00 0.00 39.48 37.87 1sy2 n PHE 12 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1sy2 s ASN 13 N 0.26 6.46 0.18 -2.13 3.84 -1.26 -4.94 114.94 117.36 1sy2 s ASN 13 Ca 0.78 -2.41 -0.09 0.00 0.21 0.00 0.00 52.86 51.35 1sy2 s ASN 13 Cb -0.87 -2.18 0.08 0.00 -0.55 0.00 0.00 41.25 37.73 1sy2 s ASN 13 CO 0.49 -0.65 1.67 0.07 -2.79 0.00 0.00 177.10 175.89 1sy2 h LYS 14 N 8.09 1.08 -0.20 0.43 2.10 -2.00 -2.49 116.57 123.57 1sy2 h LYS 14 Ca -0.03 -0.30 -0.08 0.00 -2.00 0.00 0.00 60.65 58.23 1sy2 h LYS 14 Cb 1.05 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.25 1sy2 h LYS 14 CO 0.84 1.01 -0.23 -0.44 -2.00 0.00 0.00 179.45 178.63 1sy2 h ASP 15 N 0.99 0.36 -0.33 7.07 3.32 -1.92 0.40 116.42 126.31 1sy2 h ASP 15 Ca 0.19 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 1sy2 h ASP 15 Cb 0.47 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1sy2 h ASP 15 CO 0.02 0.60 -0.30 0.11 -1.72 0.00 0.00 179.24 177.95 1sy2 h LYS 16 N 0.33 0.79 -0.13 3.56 1.57 -1.95 -3.17 116.57 117.57 1sy2 h LYS 16 Ca 0.05 -0.41 -0.04 0.00 -1.87 0.00 0.00 60.65 58.39 1sy2 h LYS 16 Cb 0.59 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1sy2 h LYS 16 CO 0.04 1.03 -0.07 -0.92 -0.57 0.00 0.00 179.45 178.97 1sy2 h TYR 17 N 0.56 0.33 -1.43 -1.35 3.20 -1.12 -3.29 116.97 113.88 1sy2 h TYR 17 Ca 0.06 -0.08 -0.74 0.00 3.14 0.00 0.00 58.73 61.10 1sy2 h TYR 17 Cb 0.88 -0.07 -0.17 0.00 1.54 0.00 0.00 36.73 38.91 1sy2 h TYR 17 CO 0.07 0.62 1.90 1.19 -1.64 0.00 0.00 178.16 180.29 1sy2 n PHE 18 N -4.67 2.57 0.30 -3.82 3.72 0.10 -4.63 117.46 111.04 1sy2 n PHE 18 Ca -0.06 -2.68 0.12 0.00 -0.05 0.00 0.00 57.45 54.78 1sy2 n PHE 18 Cb 0.29 -1.63 0.21 0.00 -0.94 0.00 0.00 39.48 37.41 1sy2 n PHE 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1sy2 n ASN 19 N 1.17 3.42 0.00 4.37 6.94 -1.11 -3.81 115.26 126.24 1sy2 n ASN 19 Ca 0.58 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 53.16 1sy2 n ASN 19 Cb 0.27 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 1sy2 n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sy2 n GLY 20 N 1.45 0.91 3.99 4.83 0.00 0.48 -4.95 105.19 111.89 1sy2 n GLY 20 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1sy2 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sy2 s ASP 21 N -2.94 4.74 0.00 1.61 2.15 -1.25 -4.68 116.67 116.30 1sy2 s ASP 21 Ca 0.00 -0.30 -0.11 0.00 0.43 0.00 0.00 52.55 52.57 1sy2 s ASP 21 Cb 0.00 -0.28 -0.05 0.00 -0.30 0.00 0.00 42.92 42.29 1sy2 s ASP 21 CO 0.00 -1.56 0.35 -0.69 -0.17 0.00 0.00 175.17 173.09 1sy2 s VAL 22 N -2.96 5.16 -0.07 1.11 1.01 -1.26 -2.81 120.40 120.57 1sy2 s VAL 22 Ca 0.63 0.55 0.04 0.00 0.00 0.00 0.00 61.98 63.20 1sy2 s VAL 22 Cb -0.07 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1sy2 s VAL 22 CO 0.42 0.48 -0.21 0.26 0.00 0.00 0.00 175.10 176.05 1sy2 s TRP 23 N -1.18 2.56 -0.11 5.22 0.52 0.68 -4.62 118.94 122.01 1sy2 s TRP 23 Ca 0.25 -0.64 -0.04 0.00 0.02 0.00 0.00 56.10 55.70 1sy2 s TRP 23 Cb -0.15 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.48 1sy2 s TRP 23 CO 0.13 -0.16 0.04 0.71 0.02 0.00 0.00 176.95 177.69 1sy2 s TYR 24 N -0.13 3.26 -0.16 -1.98 2.02 -0.22 -0.97 117.35 119.17 1sy2 s TYR 24 Ca -0.03 0.22 -0.29 0.00 -0.37 0.00 0.00 57.07 56.60 1sy2 s TYR 24 Cb -0.14 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.53 1sy2 s TYR 24 CO 0.04 0.45 1.20 0.08 -1.57 0.00 0.00 175.55 175.75 1sy2 s VAL 25 N -0.66 4.37 -0.12 0.71 1.01 -0.49 -1.26 120.40 123.96 1sy2 s VAL 25 Ca 0.11 1.66 0.19 0.00 0.00 0.00 0.00 61.98 63.94 1sy2 s VAL 25 Cb -0.12 -4.07 -0.28 0.00 0.00 0.00 0.00 36.38 31.91 1sy2 s VAL 25 CO 0.02 -0.12 0.24 0.35 0.00 0.00 0.00 175.10 175.60 1sy2 n THR 26 N 5.20 0.72 -3.67 3.92 -2.24 -0.11 -4.67 114.28 113.44 1sy2 n THR 26 Ca 0.13 -0.66 -0.15 0.00 -2.27 0.00 0.00 64.05 61.09 1sy2 n THR 26 Cb 0.45 -0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.35 1sy2 n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1sy2 s ASP 27 N -4.94 -0.43 0.05 3.42 1.11 -1.20 -1.09 116.67 113.59 1sy2 s ASP 27 Ca -0.09 0.54 -0.08 0.00 0.18 0.00 0.00 52.55 53.11 1sy2 s ASP 27 Cb 0.09 0.58 -0.00 0.00 1.07 0.00 0.00 42.92 44.65 1sy2 s ASP 27 CO 0.83 -0.43 0.15 -0.72 1.18 0.00 0.00 175.17 176.18 1sy2 s TYR 28 N -0.86 0.15 -0.21 4.23 1.13 -0.19 -0.80 117.35 120.80 1sy2 s TYR 28 Ca -0.09 -0.48 -0.02 0.00 -1.41 0.00 0.00 57.07 55.06 1sy2 s TYR 28 Cb -0.03 -0.09 0.06 0.00 -1.10 0.00 0.00 41.96 40.80 1sy2 s TYR 28 CO 0.05 -0.45 0.03 -1.17 -2.51 0.00 0.00 175.55 171.51 1sy2 s LEU 29 N -2.39 1.34 -0.29 -3.49 2.96 0.06 -0.35 118.68 116.52 1sy2 s LEU 29 Ca -0.01 -0.91 -0.12 0.00 -0.22 0.00 0.00 54.13 52.87 1sy2 s LEU 29 Cb 0.01 -0.65 -0.04 0.00 0.50 0.00 0.00 46.19 46.01 1sy2 s LEU 29 CO -0.07 -0.31 0.23 -0.62 -1.32 0.00 0.00 176.35 174.26 1sy2 s ASP 30 N 1.81 6.06 0.27 3.68 -1.08 -1.26 -0.74 116.67 125.41 1sy2 s ASP 30 Ca -0.00 -0.02 0.25 0.00 -0.52 0.00 0.00 52.55 52.26 1sy2 s ASP 30 Cb -0.17 -2.14 0.92 0.00 -1.46 0.00 0.00 42.92 40.07 1sy2 s ASP 30 CO -0.09 -0.10 1.75 -0.07 0.52 0.00 0.00 175.17 177.18 1sy2 h LEU 31 N 8.43 0.00 -6.22 -1.34 3.38 -1.53 -3.34 115.31 114.69 1sy2 h LEU 31 Ca -0.34 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.05 1sy2 h LEU 31 Cb 1.18 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.53 1sy2 h LEU 31 CO 0.58 0.00 -0.88 -0.62 0.09 0.00 0.00 178.44 177.60 1sy2 n GLU 32 N -2.35 1.28 -0.22 1.13 1.02 -1.26 -4.98 120.64 115.27 1sy2 n GLU 32 Ca 0.03 -3.77 -0.04 0.00 -0.02 0.00 0.00 57.16 53.37 1sy2 n GLU 32 Cb 0.33 -1.70 0.03 0.00 -0.02 0.00 0.00 31.44 30.08 1sy2 n GLU 32 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1sy2 n PRO 33 N 1.52 -0.57 -1.46 3.49 -0.04 -1.25 -3.89 135.00 132.79 1sy2 n PRO 33 Ca 0.25 -0.27 -0.16 0.00 -0.04 0.00 0.00 63.50 63.28 1sy2 n PRO 33 Cb 0.47 -0.20 -0.07 0.00 -0.04 0.00 0.00 33.50 33.66 1sy2 n PRO 33 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1sy2 n ASP 34 N -3.16 -5.14 0.00 3.54 4.64 -1.26 -4.83 116.55 110.34 1sy2 n ASP 34 Ca 0.02 0.40 0.00 0.00 -1.38 0.00 0.00 54.79 53.83 1sy2 n ASP 34 Cb 0.08 -4.05 0.00 0.00 -1.04 0.00 0.00 41.12 36.11 1sy2 n ASP 34 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1sy2 n ASP 35 N -0.82 0.97 -4.37 1.67 9.92 -1.25 -5.04 116.55 117.62 1sy2 n ASP 35 Ca -0.16 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.81 1sy2 n ASP 35 Cb 0.56 0.12 -0.14 0.00 -0.64 0.00 0.00 41.12 41.03 1sy2 n ASP 35 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1sy2 s VAL 36 N -0.98 2.21 0.51 2.53 -7.23 -1.26 -5.14 120.40 111.05 1sy2 s VAL 36 Ca 0.00 -1.62 -0.22 0.00 -1.81 0.00 0.00 61.98 58.33 1sy2 s VAL 36 Cb 0.00 -1.93 -0.06 0.00 0.56 0.00 0.00 36.38 34.95 1sy2 s VAL 36 CO 0.00 0.19 1.30 -2.84 -0.31 0.00 0.00 175.10 173.44 1sy2 s PRO 37 N -1.75 3.36 0.18 4.82 0.02 -1.26 -4.94 135.00 135.43 1sy2 s PRO 37 Ca 0.13 2.09 -0.13 0.00 0.02 0.00 0.00 61.00 63.11 1sy2 s PRO 37 Cb -0.10 -2.32 0.16 0.00 0.02 0.00 0.00 34.50 32.25 1sy2 s PRO 37 CO 0.04 -0.97 1.76 0.87 -0.33 0.00 0.00 177.00 178.37 1sy2 h LYS 38 N 1.68 0.37 -4.99 5.54 6.56 -2.02 -3.40 116.57 120.32 1sy2 h LYS 38 Ca -0.50 -0.02 -0.63 0.00 -1.06 0.00 0.00 60.65 58.43 1sy2 h LYS 38 Cb 1.28 -0.08 -0.16 0.00 -0.57 0.00 0.00 32.23 32.70 1sy2 h LYS 38 CO 0.58 0.25 -0.49 1.03 -2.06 0.00 0.00 179.45 178.76 1sy2 s ARG 39 N -6.13 4.00 0.19 3.15 0.52 -1.26 -4.96 118.95 114.46 1sy2 s ARG 39 Ca -0.13 -0.27 -0.18 0.00 -0.52 0.00 0.00 55.73 54.62 1sy2 s ARG 39 Cb 0.14 -3.62 0.04 0.00 0.52 0.00 0.00 34.95 32.03 1sy2 s ARG 39 CO 0.73 -0.10 0.53 -0.47 0.02 0.00 0.00 175.30 176.01 1sy2 s TYR 40 N 1.53 -0.20 -0.01 -0.53 6.14 -1.26 -4.50 117.35 118.52 1sy2 s TYR 40 Ca 0.08 -0.12 -0.07 0.00 0.64 0.00 0.00 57.07 57.60 1sy2 s TYR 40 Cb -0.15 0.42 0.00 0.00 0.42 0.00 0.00 41.96 42.66 1sy2 s TYR 40 CO 0.09 -0.90 0.13 0.00 0.64 0.00 0.00 175.55 175.51 1sy2 s ALA 42 N -1.06 -1.16 0.17 0.00 0.00 -1.26 -1.11 121.76 117.34 1sy2 s ALA 42 Ca -0.12 0.80 -0.13 0.00 0.00 0.00 0.00 51.96 52.51 1sy2 s ALA 42 Cb -0.06 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1sy2 s ALA 42 CO 0.01 -0.29 0.39 0.00 0.00 0.00 0.00 175.76 175.87 1sy2 s ALA 43 N -1.06 -0.47 0.07 0.00 0.00 -0.68 -1.40 121.76 118.22 1sy2 s ALA 43 Ca -0.11 -0.54 -0.10 0.00 0.00 0.00 0.00 51.96 51.21 1sy2 s ALA 43 Cb -0.03 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.92 1sy2 s ALA 43 CO 0.06 -0.71 0.23 -0.48 0.00 0.00 0.00 175.76 174.86 1sy2 s LEU 44 N -2.91 1.23 0.08 0.00 0.05 -0.15 -1.06 118.68 115.92 1sy2 s LEU 44 Ca 0.12 -0.45 0.08 0.00 0.05 0.00 0.00 54.13 53.93 1sy2 s LEU 44 Cb 0.01 1.13 -0.04 0.00 -2.05 0.00 0.00 46.19 45.25 1sy2 s LEU 44 CO -0.03 -0.66 -0.16 0.00 -0.55 0.00 0.00 176.35 174.96 1sy2 s ALA 45 N -3.20 2.73 -0.03 1.48 0.00 0.08 -0.23 121.76 122.58 1sy2 s ALA 45 Ca -0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 1sy2 s ALA 45 Cb 0.02 -0.76 0.03 0.00 0.00 0.00 0.00 23.12 22.41 1sy2 s ALA 45 CO -0.07 0.60 0.05 0.00 0.00 0.00 0.00 175.76 176.33 1sy2 s ALA 46 N -1.07 0.07 0.05 0.00 0.00 -1.12 -1.05 121.76 118.64 1sy2 s ALA 46 Ca 0.17 0.33 -0.28 0.00 0.00 0.00 0.00 51.96 52.19 1sy2 s ALA 46 Cb -0.11 -0.35 0.10 0.00 0.00 0.00 0.00 23.12 22.76 1sy2 s ALA 46 CO 0.09 -0.20 1.19 0.20 0.00 0.00 0.00 175.76 177.04 1sy2 s GLY 47 N 1.33 -0.25 -0.18 0.00 0.00 -0.64 -0.39 107.32 107.19 1sy2 s GLY 47 Ca -0.06 0.31 -0.11 0.00 0.00 0.00 0.00 44.72 44.86 1sy2 s GLY 47 CO -0.03 1.44 0.19 -1.59 0.00 0.00 0.00 173.10 173.10 1sy2 s THR 48 N -2.48 5.38 -0.17 0.90 2.01 -1.25 -0.62 115.64 119.41 1sy2 s THR 48 Ca 0.18 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.49 1sy2 s THR 48 Cb 0.02 -3.52 0.04 0.00 0.01 0.00 0.00 72.50 69.04 1sy2 s THR 48 CO -0.01 0.44 -0.08 0.00 -0.69 0.00 0.00 174.62 174.28 1sy2 s ALA 49 N 0.26 1.70 -1.46 7.40 0.00 -0.05 -4.77 121.76 124.83 1sy2 s ALA 49 Ca 0.12 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 1sy2 s ALA 49 Cb -0.12 -1.15 0.04 0.00 0.00 0.00 0.00 23.12 21.89 1sy2 s ALA 49 CO 0.01 -0.71 0.58 0.45 0.00 0.00 0.00 175.76 176.08 1sy2 n SER 50 N 4.80 -1.46 0.00 0.00 2.88 -1.26 -1.26 113.62 117.32 1sy2 n SER 50 Ca -0.14 -0.96 0.00 0.00 -1.33 0.00 0.00 58.87 56.45 1sy2 n SER 50 Cb 0.48 -3.22 0.00 0.00 -0.75 0.00 0.00 64.21 60.72 1sy2 n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sy2 n GLY 51 N -1.79 1.47 3.57 0.46 0.00 -1.26 -5.02 105.19 102.62 1sy2 n GLY 51 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1sy2 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sy2 s LYS 52 N -0.11 3.42 -0.06 1.61 -0.14 -0.39 -5.08 119.74 118.99 1sy2 s LYS 52 Ca 0.00 -0.47 -0.30 0.00 -1.36 0.00 0.00 55.97 53.84 1sy2 s LYS 52 Cb 0.00 -2.88 -0.03 0.00 -1.68 0.00 0.00 37.83 33.24 1sy2 s LYS 52 CO 0.00 0.42 1.10 -1.17 -0.76 0.00 0.00 175.35 174.93 1sy2 s LEU 53 N -0.10 4.28 0.06 3.17 2.96 -1.26 -0.87 118.68 126.91 1sy2 s LEU 53 Ca 0.03 1.70 0.03 0.00 -0.22 0.00 0.00 54.13 55.67 1sy2 s LEU 53 Cb -0.13 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1sy2 s LEU 53 CO 0.02 -0.49 -0.09 -0.54 -1.32 0.00 0.00 176.35 173.93 1sy2 s LYS 54 N 1.92 0.64 -0.01 1.98 -0.14 0.21 -0.98 119.74 123.35 1sy2 s LYS 54 Ca 0.53 -0.86 0.02 0.00 -1.36 0.00 0.00 55.97 54.29 1sy2 s LYS 54 Cb -0.22 -0.43 -0.00 0.00 -1.68 0.00 0.00 37.83 35.50 1sy2 s LYS 54 CO 0.21 0.08 -0.07 -2.00 -0.76 0.00 0.00 175.35 172.82 1sy2 s GLU 55 N -1.82 0.60 -0.08 1.68 2.12 -0.63 -1.62 118.70 118.96 1sy2 s GLU 55 Ca -0.06 -0.22 0.03 0.00 0.36 0.00 0.00 54.97 55.08 1sy2 s GLU 55 Cb -0.09 -0.59 -0.02 0.00 0.26 0.00 0.00 34.13 33.69 1sy2 s GLU 55 CO 0.01 0.11 -0.17 0.00 -0.54 0.00 0.00 175.26 174.67 1sy2 s ALA 56 N 0.01 2.51 0.15 6.30 0.00 -0.21 -1.19 121.76 129.33 1sy2 s ALA 56 Ca 0.00 -0.97 0.10 0.00 0.00 0.00 0.00 51.96 51.10 1sy2 s ALA 56 Cb -0.05 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1sy2 s ALA 56 CO -0.00 0.42 -0.22 -0.51 0.00 0.00 0.00 175.76 175.44 1sy2 s LEU 57 N -0.22 2.52 -0.03 0.00 1.43 0.18 -0.75 118.68 121.81 1sy2 s LEU 57 Ca -0.00 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 1sy2 s LEU 57 Cb -0.13 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.77 1sy2 s LEU 57 CO 0.03 0.16 -0.04 -0.47 0.23 0.00 0.00 176.35 176.25 1sy2 s TYR 58 N -1.32 0.65 -0.01 0.29 5.04 -0.22 -1.62 117.35 120.16 1sy2 s TYR 58 Ca 0.18 -0.15 0.06 0.00 -2.44 0.00 0.00 57.07 54.72 1sy2 s TYR 58 Cb -0.09 -0.56 -0.02 0.00 0.35 0.00 0.00 41.96 41.64 1sy2 s TYR 58 CO 0.09 -0.14 -0.18 -1.01 -1.34 0.00 0.00 175.55 172.97 1sy2 s HIS 59 N 0.66 1.65 -0.13 4.97 3.76 -0.42 -1.68 115.29 124.10 1sy2 s HIS 59 Ca -0.08 -0.32 -0.06 0.00 -0.15 0.00 0.00 55.06 54.45 1sy2 s HIS 59 Cb -0.12 -1.05 0.06 0.00 1.11 0.00 0.00 32.58 32.58 1sy2 s HIS 59 CO -0.00 -0.01 0.29 -0.47 -0.85 0.00 0.00 174.74 173.69 1sy2 s TYR 60 N -0.48 -0.43 -0.38 1.40 5.04 -0.26 -1.81 117.35 120.42 1sy2 s TYR 60 Ca 0.07 0.97 -0.18 0.00 -2.44 0.00 0.00 57.07 55.50 1sy2 s TYR 60 Cb -0.07 0.06 0.01 0.00 0.35 0.00 0.00 41.96 42.31 1sy2 s TYR 60 CO -0.00 -0.31 0.48 0.34 -1.34 0.00 0.00 175.55 174.72 1sy2 s ASP 61 N 1.80 6.26 0.42 4.32 -1.08 -0.22 -0.81 116.67 127.36 1sy2 s ASP 61 Ca -0.05 -0.29 0.29 0.00 -0.52 0.00 0.00 52.55 51.99 1sy2 s ASP 61 Cb -0.11 -2.25 1.28 0.00 -1.46 0.00 0.00 42.92 40.38 1sy2 s ASP 61 CO -0.09 -0.52 1.88 1.55 0.52 0.00 0.00 175.17 178.50 1sy2 h PRO 62 N 8.59 0.00 0.02 4.34 0.13 -1.89 0.17 132.00 143.37 1sy2 h PRO 62 Ca -0.27 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.56 1sy2 h PRO 62 Cb 1.12 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 1sy2 h PRO 62 CO 0.78 0.00 -1.62 1.63 -0.23 0.00 0.00 178.00 178.56 1sy2 n LYS 63 N -2.67 0.61 0.17 0.86 4.76 -1.26 -4.50 118.16 116.13 1sy2 n LYS 63 Ca 0.01 0.46 0.11 0.00 -2.87 0.00 0.00 58.31 56.02 1sy2 n LYS 63 Cb 0.23 -1.70 0.09 0.00 -1.84 0.00 0.00 35.03 31.82 1sy2 n LYS 63 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1sy2 h THR 64 N -0.78 0.03 0.00 -0.18 1.35 -1.96 -3.47 112.91 107.90 1sy2 h THR 64 Ca -0.42 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 1sy2 h THR 64 Cb 1.50 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 1sy2 h THR 64 CO -0.19 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.10 1sy2 n GLN 65 N -2.92 -0.59 -1.74 4.72 6.02 0.59 -5.00 117.38 118.46 1sy2 n GLN 65 Ca 0.02 0.15 -0.42 0.00 -0.01 0.00 0.00 57.00 56.74 1sy2 n GLN 65 Cb 0.55 -3.62 -0.03 0.00 1.02 0.00 0.00 30.24 28.16 1sy2 n GLN 65 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1sy2 s ASP 66 N -2.09 6.38 -0.01 1.08 2.15 -1.24 -4.75 116.67 118.18 1sy2 s ASP 66 Ca 0.00 2.88 0.01 0.00 0.43 0.00 0.00 52.55 55.87 1sy2 s ASP 66 Cb 0.00 -2.61 0.01 0.00 -0.30 0.00 0.00 42.92 40.02 1sy2 s ASP 66 CO 0.00 -0.96 -0.03 -0.89 -0.17 0.00 0.00 175.17 173.12 1sy2 s THR 67 N 0.93 0.29 -0.03 1.71 2.01 -1.26 -1.05 115.64 118.23 1sy2 s THR 67 Ca 0.72 -0.09 -0.27 0.00 0.31 0.00 0.00 61.69 62.37 1sy2 s THR 67 Cb -0.49 -0.29 0.06 0.00 0.01 0.00 0.00 72.50 71.78 1sy2 s THR 67 CO 0.35 0.12 0.58 0.72 -0.69 0.00 0.00 174.62 175.70 1sy2 s PHE 68 N 0.32 -0.53 0.15 4.92 -0.71 -0.75 -5.02 117.98 116.36 1sy2 s PHE 68 Ca -0.03 0.88 0.08 0.00 -1.04 0.00 0.00 56.93 56.82 1sy2 s PHE 68 Cb -0.06 0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 42.04 1sy2 s PHE 68 CO -0.01 -0.56 -0.10 0.71 -1.34 0.00 0.00 175.22 173.93 1sy2 s TYR 69 N -1.31 2.67 0.03 3.49 1.51 -1.24 -1.30 117.35 121.20 1sy2 s TYR 69 Ca -0.11 -0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 55.74 1sy2 s TYR 69 Cb -0.01 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1sy2 s TYR 69 CO 0.08 0.48 -0.03 -0.51 -1.11 0.00 0.00 175.55 174.46 1sy2 s ASP 70 N -2.62 0.35 0.02 2.29 1.11 -0.64 -1.57 116.67 115.61 1sy2 s ASP 70 Ca 0.24 -0.71 0.03 0.00 0.18 0.00 0.00 52.55 52.28 1sy2 s ASP 70 Cb -0.10 0.15 -0.02 0.00 1.07 0.00 0.00 42.92 44.02 1sy2 s ASP 70 CO 0.15 -0.43 -0.10 -0.69 1.18 0.00 0.00 175.17 175.27 1sy2 s VAL 71 N -2.53 0.79 -0.00 -1.27 1.01 -0.37 -0.65 120.40 117.38 1sy2 s VAL 71 Ca -0.06 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 1sy2 s VAL 71 Cb -0.02 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 1sy2 s VAL 71 CO -0.05 -0.01 0.03 -0.44 0.00 0.00 0.00 175.10 174.63 1sy2 s SER 72 N -0.86 0.07 -0.35 3.32 0.01 -0.33 -1.22 113.70 114.35 1sy2 s SER 72 Ca -0.00 -0.18 -0.18 0.00 1.31 0.00 0.00 55.95 56.89 1sy2 s SER 72 Cb -0.06 0.12 -0.00 0.00 0.21 0.00 0.00 66.02 66.28 1sy2 s SER 72 CO 0.00 -0.18 0.53 -0.70 0.41 0.00 0.00 173.24 173.30 1sy2 s GLU 73 N -0.77 3.65 0.25 12.44 2.12 -1.26 -1.60 118.70 133.54 1sy2 s GLU 73 Ca -0.09 -0.10 -0.30 0.00 0.36 0.00 0.00 54.97 54.85 1sy2 s GLU 73 Cb -0.05 -3.80 -0.09 0.00 0.26 0.00 0.00 34.13 30.45 1sy2 s GLU 73 CO -0.00 -0.64 1.03 -0.51 -0.54 0.00 0.00 175.26 174.60 1sy2 s LEU 74 N 2.43 4.59 -0.02 2.70 1.02 -0.15 -4.46 118.68 124.79 1sy2 s LEU 74 Ca 0.20 2.12 -0.00 0.00 0.02 0.00 0.00 54.13 56.47 1sy2 s LEU 74 Cb -0.15 -3.62 -0.04 0.00 0.02 0.00 0.00 46.19 42.40 1sy2 s LEU 74 CO 0.13 -0.02 0.04 -1.10 0.02 0.00 0.00 176.35 175.42 1sy2 s GLN 75 N -1.24 2.97 -0.18 1.70 -0.21 0.07 -4.63 119.66 118.13 1sy2 s GLN 75 Ca 0.43 -0.51 -0.18 0.00 0.02 0.00 0.00 55.36 55.12 1sy2 s GLN 75 Cb -0.29 -2.79 -0.04 0.00 1.00 0.00 0.00 33.01 30.89 1sy2 s GLN 75 CO 0.37 0.65 0.49 0.08 -2.12 0.00 0.00 175.29 174.75 1sy2 s VAL 76 N -1.11 5.14 -0.17 1.09 1.01 -1.26 -1.27 120.40 123.82 1sy2 s VAL 76 Ca 0.20 0.91 -0.03 0.00 0.00 0.00 0.00 61.98 63.06 1sy2 s VAL 76 Cb -0.12 -3.82 -0.23 0.00 0.00 0.00 0.00 36.38 32.22 1sy2 s VAL 76 CO 0.11 0.23 0.14 -0.62 0.00 0.00 0.00 175.10 174.95 1sy2 n GLU 77 N 4.46 0.72 -3.80 2.72 -0.58 -0.09 -4.96 120.64 119.11 1sy2 n GLU 77 Ca -0.06 0.22 -0.03 0.00 -0.42 0.00 0.00 57.16 56.87 1sy2 n GLU 77 Cb 0.51 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1sy2 n GLU 77 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1sy2 s SER 78 N -6.84 -0.08 0.06 1.62 1.04 -1.08 -5.01 113.70 103.40 1sy2 s SER 78 Ca -0.27 -0.51 -0.30 0.00 0.48 0.00 0.00 55.95 55.34 1sy2 s SER 78 Cb 0.07 0.47 -0.08 0.00 0.10 0.00 0.00 66.02 66.58 1sy2 s SER 78 CO 0.71 -0.89 1.74 -0.22 0.98 0.00 0.00 173.24 175.55 1sy2 s LEU 79 N -3.16 4.38 0.00 2.42 2.96 -1.26 -1.31 118.68 122.70 1sy2 s LEU 79 Ca 0.17 2.53 0.00 0.00 -0.22 0.00 0.00 54.13 56.61 1sy2 s LEU 79 Cb -0.01 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1sy2 s LEU 79 CO 0.03 -0.94 0.00 0.61 -1.32 0.00 0.00 176.35 174.73 1sy2 n GLY 80 N 4.15 0.82 2.87 7.98 0.00 -1.26 -4.79 105.19 114.96 1sy2 n GLY 80 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1sy2 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sy2 s LYS 81 N -0.22 1.32 0.17 1.61 1.02 -0.43 -0.90 119.74 122.31 1sy2 s LYS 81 Ca 0.00 -0.22 0.07 0.00 0.02 0.00 0.00 55.97 55.84 1sy2 s LYS 81 Cb 0.00 -1.54 -0.04 0.00 -0.52 0.00 0.00 37.83 35.73 1sy2 s LYS 81 CO 0.00 -0.30 -0.15 0.71 -0.92 0.00 0.00 175.35 174.69 1sy2 s TYR 82 N 1.75 1.61 -0.11 3.18 2.02 -0.15 -0.91 117.35 124.73 1sy2 s TYR 82 Ca 0.04 -0.56 0.03 0.00 -0.37 0.00 0.00 57.07 56.21 1sy2 s TYR 82 Cb -0.13 -0.79 -0.00 0.00 -0.40 0.00 0.00 41.96 40.64 1sy2 s TYR 82 CO -0.08 0.27 -0.22 0.99 -1.57 0.00 0.00 175.55 174.94 1sy2 s THR 83 N -2.58 2.23 -0.28 -0.71 2.01 -0.40 -1.59 115.64 114.32 1sy2 s THR 83 Ca 0.17 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.23 1sy2 s THR 83 Cb -0.03 -1.87 0.08 0.00 0.01 0.00 0.00 72.50 70.69 1sy2 s THR 83 CO 0.05 0.55 0.01 0.00 -0.69 0.00 0.00 174.62 174.54 1sy2 s ALA 84 N 0.40 2.19 -0.37 7.40 0.00 0.54 -0.75 121.76 131.16 1sy2 s ALA 84 Ca -0.16 -1.80 -0.26 0.00 0.00 0.00 0.00 51.96 49.73 1sy2 s ALA 84 Cb -0.17 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 21.32 1sy2 s ALA 84 CO 0.07 -1.44 0.95 -0.80 0.00 0.00 0.00 175.76 174.54 1sy2 s ASN 85 N 1.28 6.69 0.09 0.00 0.01 -1.26 -1.10 114.94 120.65 1sy2 s ASN 85 Ca 0.02 0.60 -0.02 0.00 -0.71 0.00 0.00 52.86 52.76 1sy2 s ASN 85 Cb -0.19 -2.47 -0.05 0.00 0.41 0.00 0.00 41.25 38.95 1sy2 s ASN 85 CO -0.11 -0.89 0.27 0.72 -1.51 0.00 0.00 177.10 175.59 1sy2 s PHE 86 N 3.55 3.50 -0.05 2.20 -0.12 -1.18 -4.31 117.98 121.56 1sy2 s PHE 86 Ca 0.39 0.37 0.06 0.00 -0.05 0.00 0.00 56.93 57.71 1sy2 s PHE 86 Cb -0.12 -1.86 -0.01 0.00 -0.63 0.00 0.00 43.02 40.40 1sy2 s PHE 86 CO 0.19 0.53 -0.24 -1.59 -0.05 0.00 0.00 175.22 174.06 1sy2 s LYS 87 N -2.55 2.43 0.06 1.99 -2.85 -0.35 -4.21 119.74 114.26 1sy2 s LYS 87 Ca 0.37 -0.86 -0.30 0.00 -1.00 0.00 0.00 55.97 54.18 1sy2 s LYS 87 Cb -0.13 -2.07 -0.04 0.00 -2.06 0.00 0.00 37.83 33.53 1sy2 s LYS 87 CO 0.26 0.37 0.97 0.21 0.10 0.00 0.00 175.35 177.26 1sy2 s LYS 88 N -0.15 4.63 0.10 1.78 2.20 -0.64 -1.23 119.74 126.43 1sy2 s LYS 88 Ca -0.03 1.43 0.02 0.00 -0.36 0.00 0.00 55.97 57.03 1sy2 s LYS 88 Cb -0.13 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1sy2 s LYS 88 CO 0.03 0.09 -0.07 0.14 -0.36 0.00 0.00 175.35 175.18 1sy2 s VAL 89 N 0.49 0.76 1.05 4.02 -7.23 -0.61 -0.53 120.40 118.36 1sy2 s VAL 89 Ca 0.49 -1.88 -0.17 0.00 -1.81 0.00 0.00 61.98 58.61 1sy2 s VAL 89 Cb -0.22 -1.62 0.23 0.00 0.56 0.00 0.00 36.38 35.33 1sy2 s VAL 89 CO 0.29 -0.81 1.24 1.51 -0.31 0.00 0.00 175.10 177.02 1sy2 s ASP 90 N -2.93 2.31 0.61 4.85 1.47 -0.38 -3.64 116.67 118.97 1sy2 s ASP 90 Ca 0.11 0.40 0.39 0.00 1.18 0.00 0.00 52.55 54.63 1sy2 s ASP 90 Cb 0.03 -0.52 1.99 0.00 -0.34 0.00 0.00 42.92 44.08 1sy2 s ASP 90 CO -0.03 -3.24 2.22 0.07 0.68 0.00 0.00 175.17 174.86 1sy2 h LYS 91 N -1.99 0.00 -0.14 2.11 2.10 -1.95 -1.21 116.57 115.49 1sy2 h LYS 91 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1sy2 h LYS 91 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1sy2 h LYS 91 CO 0.37 0.01 0.00 0.09 -2.00 0.00 0.00 179.45 177.92 1sy2 n ASN 92 N -3.18 2.09 0.00 7.07 5.03 -1.26 -4.79 115.26 120.23 1sy2 n ASN 92 Ca -0.02 -1.74 0.00 0.00 0.87 0.00 0.00 54.58 53.69 1sy2 n ASN 92 Cb 0.16 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 1sy2 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1sy2 n GLY 93 N 1.23 0.75 3.73 7.41 0.00 -0.46 -5.00 105.19 112.85 1sy2 n GLY 93 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1sy2 n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sy2 s ASN 94 N -2.51 7.07 -0.00 1.61 0.01 -1.26 -4.78 114.94 115.07 1sy2 s ASN 94 Ca 0.00 2.18 -0.30 0.00 -0.71 0.00 0.00 52.86 54.03 1sy2 s ASN 94 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1sy2 s ASN 94 CO 0.00 -0.41 1.21 -0.69 -1.51 0.00 0.00 177.10 175.70 1sy2 s VAL 95 N 0.28 4.15 -0.23 1.60 1.01 -1.26 -1.25 120.40 124.70 1sy2 s VAL 95 Ca 0.55 1.52 0.03 0.00 0.00 0.00 0.00 61.98 64.08 1sy2 s VAL 95 Cb -0.32 -3.97 -0.16 0.00 0.00 0.00 0.00 36.38 31.92 1sy2 s VAL 95 CO 0.34 0.05 -0.18 0.29 0.00 0.00 0.00 175.10 175.61 1sy2 n LYS 96 N 4.66 0.64 -3.67 2.72 5.02 0.31 -4.93 118.16 122.92 1sy2 n LYS 96 Ca 0.10 0.12 -0.23 0.00 -2.02 0.00 0.00 58.31 56.28 1sy2 n LYS 96 Cb 0.46 -1.47 -0.17 0.00 -0.02 0.00 0.00 35.03 33.82 1sy2 n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1sy2 s VAL 97 N -2.47 0.03 0.84 -0.18 1.01 -0.86 -4.99 120.40 113.79 1sy2 s VAL 97 Ca -0.29 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 1sy2 s VAL 97 Cb 0.08 -0.45 0.10 0.00 0.00 0.00 0.00 36.38 36.11 1sy2 s VAL 97 CO 0.57 -0.02 1.11 0.00 0.00 0.00 0.00 175.10 176.77 1sy2 s ALA 98 N 2.10 1.87 0.30 5.51 0.00 -1.26 -1.62 121.76 128.65 1sy2 s ALA 98 Ca 0.03 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.10 1sy2 s ALA 98 Cb -0.14 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.50 1sy2 s ALA 98 CO -0.06 -2.24 1.29 0.28 0.00 0.00 0.00 175.76 175.03 1sy2 n VAL 99 N -3.86 1.61 -3.79 0.00 0.31 -1.26 -4.80 118.33 106.54 1sy2 n VAL 99 Ca 0.10 -0.40 -0.13 0.00 -0.01 0.00 0.00 64.34 63.90 1sy2 n VAL 99 Cb 0.53 -1.45 -0.09 0.00 -0.91 0.00 0.00 33.84 31.91 1sy2 n VAL 99 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1sy2 s THR 100 N -0.71 0.05 0.23 2.52 2.01 -1.26 -5.08 115.64 113.41 1sy2 s THR 100 Ca 0.61 -0.45 -0.31 0.00 0.31 0.00 0.00 61.69 61.84 1sy2 s THR 100 Cb -0.62 -0.53 -0.14 0.00 0.01 0.00 0.00 72.50 71.22 1sy2 s THR 100 CO 0.57 -0.25 1.23 0.00 -0.69 0.00 0.00 174.62 175.48 1sy2 n ALA 101 N 1.61 0.16 -0.12 7.40 0.00 -1.26 -1.54 120.51 126.76 1sy2 n ALA 101 Ca -0.20 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1sy2 n ALA 101 Cb 0.56 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1sy2 n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sy2 n GLY 102 N 1.82 2.07 3.27 0.00 0.00 -1.26 -4.89 105.19 106.20 1sy2 n GLY 102 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1sy2 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sy2 s ASN 103 N -3.44 6.29 0.11 1.61 -0.87 -0.59 -2.67 114.94 115.38 1sy2 s ASN 103 Ca 0.00 -2.47 -0.13 0.00 -1.57 0.00 0.00 52.86 48.69 1sy2 s ASN 103 Cb 0.00 -2.13 0.02 0.00 -0.02 0.00 0.00 41.25 39.12 1sy2 s ASN 103 CO 0.00 -0.61 0.33 -0.72 -2.57 0.00 0.00 177.10 173.53 1sy2 s TYR 104 N 0.52 -0.07 0.14 2.20 1.13 -0.54 -3.13 117.35 117.60 1sy2 s TYR 104 Ca 0.14 -0.29 0.09 0.00 -1.41 0.00 0.00 57.07 55.60 1sy2 s TYR 104 Cb -0.17 0.15 -0.04 0.00 -1.10 0.00 0.00 41.96 40.79 1sy2 s TYR 104 CO -0.05 -0.65 -0.21 1.52 -2.51 0.00 0.00 175.55 173.66 1sy2 s TYR 105 N -3.83 1.90 0.22 -3.49 1.13 -0.26 -0.47 117.35 112.55 1sy2 s TYR 105 Ca 0.04 -0.43 -0.00 0.00 -1.41 0.00 0.00 57.07 55.26 1sy2 s TYR 105 Cb 0.03 -0.99 -0.04 0.00 -1.10 0.00 0.00 41.96 39.86 1sy2 s TYR 105 CO -0.11 0.30 0.40 0.95 -2.51 0.00 0.00 175.55 174.58 1sy2 s THR 106 N -1.60 5.20 -0.10 -3.49 -4.23 -0.53 -0.34 115.64 110.55 1sy2 s THR 106 Ca 0.13 -0.39 -0.23 0.00 -1.18 0.00 0.00 61.69 60.02 1sy2 s THR 106 Cb -0.08 -3.75 0.05 0.00 1.34 0.00 0.00 72.50 70.07 1sy2 s THR 106 CO 0.06 -0.21 0.54 0.72 -0.54 0.00 0.00 174.62 175.19 1sy2 s PHE 107 N -1.91 -0.52 -0.09 3.99 -0.12 -0.62 -2.44 117.98 116.27 1sy2 s PHE 107 Ca 0.38 1.04 0.02 0.00 -0.05 0.00 0.00 56.93 58.32 1sy2 s PHE 107 Cb -0.11 0.26 0.01 0.00 -0.63 0.00 0.00 43.02 42.55 1sy2 s PHE 107 CO 0.29 -0.44 -0.14 0.99 -0.05 0.00 0.00 175.22 175.87 1sy2 s THR 108 N -0.71 1.37 -0.54 -4.49 2.01 -0.13 -0.98 115.64 112.17 1sy2 s THR 108 Ca -0.08 -0.59 -0.21 0.00 0.31 0.00 0.00 61.69 61.12 1sy2 s THR 108 Cb -0.03 -1.25 0.06 0.00 0.01 0.00 0.00 72.50 71.29 1sy2 s THR 108 CO 0.05 0.41 0.75 -0.69 -0.69 0.00 0.00 174.62 174.46 1sy2 s VAL 109 N 0.81 4.68 0.10 3.82 1.01 -0.08 -1.22 120.40 129.52 1sy2 s VAL 109 Ca -0.11 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.61 1sy2 s VAL 109 Cb -0.16 -4.42 -0.20 0.00 0.00 0.00 0.00 36.38 31.61 1sy2 s VAL 109 CO 0.02 -0.99 1.26 0.24 0.00 0.00 0.00 175.10 175.63 1sy2 h MET 110 N 9.16 0.00 -2.29 2.72 2.86 -1.12 -0.27 114.93 125.99 1sy2 h MET 110 Ca -0.27 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.30 1sy2 h MET 110 Cb 1.09 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.52 1sy2 h MET 110 CO 1.04 0.95 -0.02 -0.47 1.06 0.00 0.00 176.91 179.47 1sy2 s TYR 111 N -2.72 -0.67 -0.06 -0.22 5.04 -1.04 -3.09 117.35 114.59 1sy2 s TYR 111 Ca 0.01 1.62 -0.21 0.00 -2.44 0.00 0.00 57.07 56.05 1sy2 s TYR 111 Cb 0.10 0.24 0.04 0.00 0.35 0.00 0.00 41.96 42.69 1sy2 s TYR 111 CO 0.82 -0.32 0.47 0.00 -1.34 0.00 0.00 175.55 175.17 1sy2 s ALA 112 N 0.38 -1.20 0.00 3.97 0.00 -1.26 -0.94 121.76 122.70 1sy2 s ALA 112 Ca -0.01 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1sy2 s ALA 112 Cb -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1sy2 s ALA 112 CO -0.00 -0.29 0.00 -0.40 0.00 0.00 0.00 175.76 175.07 1sy2 n ASP 113 N 1.42 0.15 0.23 0.00 5.68 -0.18 -4.96 116.55 118.88 1sy2 n ASP 113 Ca -0.19 -0.56 0.07 0.00 -0.50 0.00 0.00 54.79 53.61 1sy2 n ASP 113 Cb 0.56 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 41.08 1sy2 n ASP 113 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1sy2 h ASP 114 N 0.00 0.00 0.00 -1.12 3.32 -2.02 -3.31 116.42 113.29 1sy2 h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sy2 h ASP 114 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sy2 h ASP 114 CO 0.00 0.22 -0.82 -1.20 -1.72 0.00 0.00 179.24 175.72 1sy2 n SER 115 N -3.94 2.13 -3.89 6.45 7.64 -1.26 -4.86 113.62 115.89 1sy2 n SER 115 Ca -0.02 -0.29 -0.09 0.00 1.01 0.00 0.00 58.87 59.49 1sy2 n SER 115 Cb 0.30 1.15 -0.08 0.00 -1.01 0.00 0.00 64.21 64.57 1sy2 n SER 115 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1sy2 s SER 116 N -2.17 0.18 0.13 6.43 1.04 -1.25 -1.04 113.70 117.03 1sy2 s SER 116 Ca -0.00 -0.70 -0.21 0.00 0.48 0.00 0.00 55.95 55.52 1sy2 s SER 116 Cb 0.04 0.31 0.06 0.00 0.10 0.00 0.00 66.02 66.53 1sy2 s SER 116 CO 0.24 -0.70 0.54 0.00 0.98 0.00 0.00 173.24 174.30 1sy2 s ALA 117 N -3.81 -1.40 -0.11 5.32 0.00 -0.79 -1.01 121.76 119.96 1sy2 s ALA 117 Ca 0.05 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.40 1sy2 s ALA 117 Cb 0.05 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.95 1sy2 s ALA 117 CO -0.11 -0.70 -0.14 -1.17 0.00 0.00 0.00 175.76 173.64 1sy2 s LEU 118 N -2.65 1.65 0.18 0.00 2.96 -0.11 -0.55 118.68 120.16 1sy2 s LEU 118 Ca 0.01 -0.42 0.09 0.00 -0.22 0.00 0.00 54.13 53.58 1sy2 s LEU 118 Cb -0.00 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 1sy2 s LEU 118 CO -0.11 -0.01 -0.18 0.27 -1.32 0.00 0.00 176.35 175.00 1sy2 s ILE 119 N 1.14 1.87 0.00 6.68 -5.25 -0.34 -0.72 121.20 124.59 1sy2 s ILE 119 Ca -0.03 -2.02 0.05 0.00 -0.99 0.00 0.00 60.65 57.66 1sy2 s ILE 119 Cb -0.14 -1.93 -0.03 0.00 2.95 0.00 0.00 42.46 43.31 1sy2 s ILE 119 CO -0.04 -0.37 -0.15 -2.28 -1.79 0.00 0.00 174.94 170.31 1sy2 s HIS 120 N -2.24 2.66 0.01 1.37 5.65 -0.36 -1.06 115.29 121.32 1sy2 s HIS 120 Ca 0.18 -0.19 0.00 0.00 0.25 0.00 0.00 55.06 55.30 1sy2 s HIS 120 Cb -0.05 -1.54 -0.01 0.00 -1.18 0.00 0.00 32.58 29.80 1sy2 s HIS 120 CO 0.07 0.24 -0.03 -0.08 -0.65 0.00 0.00 174.74 174.30 1sy2 s THR 121 N -0.87 0.14 -0.21 0.89 -1.32 0.26 -0.96 115.64 113.57 1sy2 s THR 121 Ca 0.14 -0.50 0.01 0.00 -1.21 0.00 0.00 61.69 60.13 1sy2 s THR 121 Cb -0.11 -0.21 0.05 0.00 -1.51 0.00 0.00 72.50 70.72 1sy2 s THR 121 CO 0.04 -0.23 -0.09 0.00 -2.21 0.00 0.00 174.62 172.13 1sy2 s LEU 123 N 1.37 4.23 -0.23 0.00 2.96 -1.26 -1.45 118.68 124.31 1sy2 s LEU 123 Ca -0.03 0.69 -0.02 0.00 -0.22 0.00 0.00 54.13 54.55 1sy2 s LEU 123 Cb -0.17 -2.61 0.01 0.00 0.50 0.00 0.00 46.19 43.92 1sy2 s LEU 123 CO -0.07 -0.02 -0.07 -1.00 -1.32 0.00 0.00 176.35 173.86 1sy2 s HIS 124 N 0.84 2.99 -0.30 5.38 3.76 0.38 -4.36 115.29 123.99 1sy2 s HIS 124 Ca 0.23 -1.38 -0.01 0.00 -0.15 0.00 0.00 55.06 53.75 1sy2 s HIS 124 Cb -0.15 -2.06 0.10 0.00 1.11 0.00 0.00 32.58 31.58 1sy2 s HIS 124 CO 0.09 -0.69 0.10 0.21 -0.85 0.00 0.00 174.74 173.60 1sy2 s LYS 125 N 1.37 0.62 5.22 1.40 2.20 -1.24 -1.47 119.74 127.83 1sy2 s LYS 125 Ca 0.03 -0.93 0.00 0.00 -0.36 0.00 0.00 55.97 54.70 1sy2 s LYS 125 Cb -0.15 -1.85 0.00 0.00 -1.51 0.00 0.00 37.83 34.32 1sy2 s LYS 125 CO -0.05 -0.97 0.00 0.41 -0.36 0.00 0.00 175.35 174.38 1sy2 n GLY 126 N 4.93 3.19 1.10 5.54 0.00 -1.09 -1.69 105.19 117.17 1sy2 n GLY 126 Ca -0.03 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 45.97 1sy2 n GLY 126 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sy2 n ASN 127 N 3.35 3.18 -4.77 1.61 0.23 -1.26 -4.92 115.26 112.67 1sy2 n ASN 127 Ca 0.00 -2.26 -0.37 0.00 -0.53 0.00 0.00 54.58 51.43 1sy2 n ASN 127 Cb 0.00 -0.45 -0.01 0.00 -2.08 0.00 0.00 39.78 37.24 1sy2 n ASN 127 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1sy2 s LYS 128 N -1.69 3.79 0.41 -3.83 2.20 -0.69 -5.01 119.74 114.92 1sy2 s LYS 128 Ca 0.33 1.71 -0.26 0.00 -0.36 0.00 0.00 55.97 57.39 1sy2 s LYS 128 Cb 0.21 -2.38 -0.09 0.00 -1.51 0.00 0.00 37.83 34.06 1sy2 s LYS 128 CO 0.17 -0.51 1.30 0.00 -0.36 0.00 0.00 175.35 175.94 1sy2 s ALA 129 N -1.60 3.24 0.18 3.13 0.00 -1.26 -4.57 121.76 120.88 1sy2 s ALA 129 Ca 0.64 1.23 -0.01 0.00 0.00 0.00 0.00 51.96 53.82 1sy2 s ALA 129 Cb -0.27 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 1sy2 s ALA 129 CO 0.32 -0.84 0.36 0.00 0.00 0.00 0.00 175.76 175.61 1sy2 s ALA 130 N -1.27 3.86 0.02 0.00 0.00 -1.26 -4.91 121.76 118.20 1sy2 s ALA 130 Ca 0.57 -0.82 -0.21 0.00 0.00 0.00 0.00 51.96 51.50 1sy2 s ALA 130 Cb -0.38 -1.97 0.04 0.00 0.00 0.00 0.00 23.12 20.81 1sy2 s ALA 130 CO 0.48 0.50 0.47 0.20 0.00 0.00 0.00 175.76 177.42 1sy2 s GLY 131 N -3.05 -0.36 0.22 0.00 0.00 -1.26 0.71 107.32 103.58 1sy2 s GLY 131 Ca 0.38 0.56 -0.30 0.00 0.00 0.00 0.00 44.72 45.36 1sy2 s GLY 131 CO 0.28 0.28 1.25 0.99 0.00 0.00 0.00 173.10 175.90 1sy2 s ASP 132 N -1.78 6.99 -0.08 1.64 1.11 -1.26 -4.35 116.67 118.94 1sy2 s ASP 132 Ca -0.07 2.36 -0.00 0.00 0.18 0.00 0.00 52.55 55.01 1sy2 s ASP 132 Cb -0.01 -2.62 0.02 0.00 1.07 0.00 0.00 42.92 41.39 1sy2 s ASP 132 CO 0.01 -0.43 -0.04 -0.22 1.18 0.00 0.00 175.17 175.67 1sy2 s LEU 133 N -0.50 1.00 -0.02 1.23 2.96 -0.46 -1.26 118.68 121.63 1sy2 s LEU 133 Ca 0.53 -0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1sy2 s LEU 133 Cb -0.35 -0.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 1sy2 s LEU 133 CO 0.40 -0.12 0.13 -0.31 -1.32 0.00 0.00 176.35 175.12 1sy2 s TYR 134 N 1.57 3.43 -0.01 5.38 2.02 0.08 -0.58 117.35 129.24 1sy2 s TYR 134 Ca 0.00 0.30 0.00 0.00 -0.37 0.00 0.00 57.07 57.01 1sy2 s TYR 134 Cb -0.13 -1.80 0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1sy2 s TYR 134 CO -0.04 0.61 -0.01 0.00 -1.57 0.00 0.00 175.55 174.54 1sy2 s ALA 135 N -1.24 0.22 -0.14 3.71 0.00 -0.22 -0.76 121.76 123.33 1sy2 s ALA 135 Ca 0.24 0.07 -0.19 0.00 0.00 0.00 0.00 51.96 52.08 1sy2 s ALA 135 Cb -0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1sy2 s ALA 135 CO 0.15 -0.02 0.53 0.08 0.00 0.00 0.00 175.76 176.50 1sy2 s VAL 136 N 0.52 5.13 0.17 0.00 1.01 0.02 -1.20 120.40 126.05 1sy2 s VAL 136 Ca -0.05 1.04 0.08 0.00 0.00 0.00 0.00 61.98 63.05 1sy2 s VAL 136 Cb -0.08 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1sy2 s VAL 136 CO -0.01 0.26 -0.05 -0.76 0.00 0.00 0.00 175.10 174.53 1sy2 s LEU 137 N 1.01 3.14 0.02 3.92 1.43 0.29 -0.93 118.68 127.56 1sy2 s LEU 137 Ca 0.27 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 1sy2 s LEU 137 Cb -0.16 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 1sy2 s LEU 137 CO 0.11 0.11 0.11 0.21 0.23 0.00 0.00 176.35 177.12 1sy2 s ASN 138 N -2.79 0.12 0.47 2.29 3.84 -0.39 -1.89 114.94 116.59 1sy2 s ASN 138 Ca 0.26 -0.41 0.26 0.00 0.21 0.00 0.00 52.86 53.18 1sy2 s ASN 138 Cb -0.09 0.21 1.09 0.00 -0.55 0.00 0.00 41.25 41.90 1sy2 s ASN 138 CO 0.16 -0.45 1.90 0.03 -2.79 0.00 0.00 177.10 175.96 1sy2 h ARG 139 N 3.95 0.00 -4.94 0.43 2.47 -1.35 -0.57 114.38 114.37 1sy2 h ARG 139 Ca -0.32 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 57.74 1sy2 h ARG 139 Cb 1.19 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.26 1sy2 h ARG 139 CO 0.46 0.19 -0.66 1.21 0.56 0.00 0.00 179.97 181.73 1sy2 s ASN 140 N -6.14 4.82 0.64 7.04 3.84 -1.26 -4.82 114.94 119.07 1sy2 s ASN 140 Ca -0.00 -0.36 0.40 0.00 0.21 0.00 0.00 52.86 53.12 1sy2 s ASN 140 Cb 0.11 -1.85 2.23 0.00 -0.55 0.00 0.00 41.25 41.19 1sy2 s ASN 140 CO 0.62 -0.05 2.33 0.07 -2.79 0.00 0.00 177.10 177.27 1sy2 h LYS 141 N 8.19 0.00 -0.08 0.43 2.10 -1.94 -2.23 116.57 123.04 1sy2 h LYS 141 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1sy2 h LYS 141 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1sy2 h LYS 141 CO 0.59 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.79 1sy2 n ASP 142 N -3.28 3.06 -4.71 7.07 8.00 -1.26 -4.92 116.55 120.51 1sy2 n ASP 142 Ca -0.03 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.06 1sy2 n ASP 142 Cb 0.09 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1sy2 n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sy2 s ALA 143 N -1.91 3.41 0.45 2.24 0.00 -0.84 -5.01 121.76 120.11 1sy2 s ALA 143 Ca 0.29 0.85 -0.24 0.00 0.00 0.00 0.00 51.96 52.87 1sy2 s ALA 143 Cb 0.20 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 1sy2 s ALA 143 CO 0.30 -0.47 1.20 0.00 0.00 0.00 0.00 175.76 176.79 1sy2 s ALA 144 N 1.16 3.03 0.12 0.00 0.00 -1.26 -4.95 121.76 119.85 1sy2 s ALA 144 Ca 0.59 1.01 -0.31 0.00 0.00 0.00 0.00 51.96 53.25 1sy2 s ALA 144 Cb -0.30 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.32 1sy2 s ALA 144 CO 0.29 -0.72 1.66 0.00 0.00 0.00 0.00 175.76 176.99 1sy2 s ALA 145 N -1.46 3.74 0.81 0.00 0.00 -1.26 -4.99 121.76 118.60 1sy2 s ALA 145 Ca 0.62 1.32 -0.05 0.00 0.00 0.00 0.00 51.96 53.85 1sy2 s ALA 145 Cb -0.31 -3.68 0.16 0.00 0.00 0.00 0.00 23.12 19.28 1sy2 s ALA 145 CO 0.38 -1.02 1.05 0.41 0.00 0.00 0.00 175.76 176.59 1sy2 n GLY 146 N 3.96 0.03 0.25 0.00 0.00 -1.26 -4.87 105.19 103.30 1sy2 n GLY 146 Ca 0.16 -1.93 -0.04 0.00 0.00 0.00 0.00 46.02 44.20 1sy2 n GLY 146 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sy2 h ASP 147 N -0.90 0.57 0.08 1.61 3.32 -1.98 -1.01 116.42 118.12 1sy2 h ASP 147 Ca -0.35 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.52 1sy2 h ASP 147 Cb 1.16 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1sy2 h ASP 147 CO 0.33 0.77 -0.04 0.11 -1.72 0.00 0.00 179.24 178.69 1sy2 h LYS 148 N 0.51 -0.11 -0.05 3.56 1.57 -1.99 -0.15 116.57 119.91 1sy2 h LYS 148 Ca 0.08 0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.67 1sy2 h LYS 148 Cb 0.63 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1sy2 h LYS 148 CO 0.04 -0.01 -0.80 -0.24 -0.57 0.00 0.00 179.45 177.87 1sy2 h VAL 149 N -0.18 1.40 -0.51 0.50 3.04 -1.92 -2.03 116.25 116.55 1sy2 h VAL 149 Ca -0.01 -2.28 -0.08 0.00 -1.01 0.00 0.00 66.70 63.32 1sy2 h VAL 149 Cb 0.15 2.23 -0.02 0.00 -2.01 0.00 0.00 31.29 31.64 1sy2 h VAL 149 CO 0.02 0.68 -0.01 0.11 -1.01 0.00 0.00 177.57 177.36 1sy2 h LYS 150 N 0.24 0.86 -0.63 4.17 1.57 -1.12 -0.96 116.57 120.70 1sy2 h LYS 150 Ca -0.04 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.44 1sy2 h LYS 150 Cb 1.40 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.59 1sy2 h LYS 150 CO 0.14 0.87 0.18 0.77 -0.57 0.00 0.00 179.45 180.83 1sy2 h SER 151 N 0.80 0.90 -0.53 0.86 0.02 -0.90 -1.88 113.55 112.82 1sy2 h SER 151 Ca 0.15 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1sy2 h SER 151 Cb 0.49 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1sy2 h SER 151 CO 0.02 0.85 0.15 0.00 -1.14 0.00 0.00 176.83 176.72 1sy2 h ALA 152 N 1.27 1.19 -0.31 3.77 0.00 -0.73 0.15 119.26 124.59 1sy2 h ALA 152 Ca 0.20 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1sy2 h ALA 152 Cb 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1sy2 h ALA 152 CO -0.01 0.56 0.19 0.28 0.00 0.00 0.00 179.25 180.27 1sy2 h VAL 153 N 0.85 1.05 -0.86 0.00 2.07 -0.73 -1.51 116.25 117.11 1sy2 h VAL 153 Ca 0.19 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1sy2 h VAL 153 Cb 0.29 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1sy2 h VAL 153 CO -0.00 0.07 0.57 -1.28 0.02 0.00 0.00 177.57 176.95 1sy2 h SER 154 N 0.39 0.99 0.55 0.57 0.87 -0.73 -2.02 113.55 114.17 1sy2 h SER 154 Ca 0.12 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1sy2 h SER 154 Cb -0.02 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.69 1sy2 h SER 154 CO -0.05 0.72 -0.10 0.00 -0.53 0.00 0.00 176.83 176.87 1sy2 h ALA 155 N 1.32 1.14 -0.06 6.23 0.00 -0.29 0.12 119.26 127.72 1sy2 h ALA 155 Ca 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1sy2 h ALA 155 Cb -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1sy2 h ALA 155 CO -0.07 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1sy2 n ALA 156 N -2.21 2.56 -3.57 0.00 0.00 -0.61 -4.91 120.51 111.78 1sy2 n ALA 156 Ca -0.01 -0.21 -0.21 0.00 0.00 0.00 0.00 53.44 53.00 1sy2 n ALA 156 Cb 0.26 -1.19 0.07 0.00 0.00 0.00 0.00 19.45 18.60 1sy2 n ALA 156 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1sy2 n THR 157 N -0.43 -4.39 -4.45 0.00 -1.04 0.42 -5.03 114.28 99.37 1sy2 n THR 157 Ca 0.12 -0.29 -0.23 0.00 -2.04 0.00 0.00 64.05 61.62 1sy2 n THR 157 Cb 0.12 -4.28 -0.10 0.00 -1.82 0.00 0.00 70.33 64.25 1sy2 n THR 157 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1sy2 s LEU 158 N -6.81 2.59 -0.28 -4.42 1.43 -0.80 -5.04 118.68 105.35 1sy2 s LEU 158 Ca 0.26 -1.05 -0.06 0.00 -1.03 0.00 0.00 54.13 52.24 1sy2 s LEU 158 Cb -0.12 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 45.14 1sy2 s LEU 158 CO 0.75 -0.06 0.06 -1.61 0.23 0.00 0.00 176.35 175.72 1sy2 s GLU 159 N -3.56 3.23 0.51 1.70 2.02 -1.26 -3.76 118.70 117.57 1sy2 s GLU 159 Ca 0.28 -0.76 0.15 0.00 0.02 0.00 0.00 54.97 54.67 1sy2 s GLU 159 Cb -0.03 -3.31 1.23 0.00 0.10 0.00 0.00 34.13 32.13 1sy2 s GLU 159 CO 0.13 -0.36 2.14 0.35 0.02 0.00 0.00 175.26 177.54 1sy2 h PHE 160 N 8.21 0.05 -0.08 1.61 3.57 -1.91 -1.06 116.94 127.34 1sy2 h PHE 160 Ca -0.34 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.18 1sy2 h PHE 160 Cb 1.14 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 1sy2 h PHE 160 CO 0.62 0.03 0.13 0.66 -2.23 0.00 0.00 178.31 177.52 1sy2 h SER 161 N 0.05 0.00 1.85 0.41 4.64 -2.01 -0.93 113.55 117.56 1sy2 h SER 161 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1sy2 h SER 161 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1sy2 h SER 161 CO -0.00 0.00 -0.10 0.11 -0.87 0.00 0.00 176.83 175.97 1sy2 h LYS 162 N 0.00 0.00 -6.92 4.77 1.79 -1.61 -3.46 116.57 111.13 1sy2 h LYS 162 Ca 0.04 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.99 1sy2 h LYS 162 Cb 0.29 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.00 1sy2 h LYS 162 CO -0.00 0.00 0.56 -0.06 -1.08 0.00 0.00 179.45 178.87 1sy2 s PHE 163 N -3.21 3.02 -0.17 -1.35 0.40 -0.36 -4.88 117.98 111.43 1sy2 s PHE 163 Ca 0.07 1.50 -0.14 0.00 -0.60 0.00 0.00 56.93 57.75 1sy2 s PHE 163 Cb 0.06 -3.52 -0.04 0.00 0.51 0.00 0.00 43.02 40.03 1sy2 s PHE 163 CO 0.68 -1.59 0.32 0.42 0.70 0.00 0.00 175.22 175.74 1sy2 s ILE 164 N -1.31 5.28 0.39 0.64 -1.09 0.52 -4.82 121.20 120.82 1sy2 s ILE 164 Ca 0.55 0.59 -0.23 0.00 -2.23 0.00 0.00 60.65 59.33 1sy2 s ILE 164 Cb -0.34 -3.66 -0.10 0.00 -1.58 0.00 0.00 42.46 36.78 1sy2 s ILE 164 CO 0.44 0.36 0.98 -0.55 -1.23 0.00 0.00 174.94 174.94 1sy2 s SER 165 N 0.60 7.00 0.00 3.58 0.15 -1.26 -1.02 113.70 122.75 1sy2 s SER 165 Ca 0.17 1.84 0.26 0.00 0.70 0.00 0.00 55.95 58.92 1sy2 s SER 165 Cb -0.13 -2.57 0.61 0.00 -1.71 0.00 0.00 66.02 62.22 1sy2 s SER 165 CO 0.05 -0.31 1.49 0.35 1.20 0.00 0.00 173.24 176.02 1sy2 n THR 166 N -0.11 0.04 0.36 6.45 -2.24 -0.25 -4.69 114.28 113.84 1sy2 n THR 166 Ca 0.05 -0.40 0.14 0.00 -2.27 0.00 0.00 64.05 61.58 1sy2 n THR 166 Cb 0.51 0.98 0.55 0.00 -2.10 0.00 0.00 70.33 70.28 1sy2 n THR 166 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1sy2 h LYS 167 N 3.54 0.00 -0.60 -0.78 2.10 -1.92 -3.00 116.57 115.91 1sy2 h LYS 167 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1sy2 h LYS 167 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 1sy2 h LYS 167 CO 0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 1sy2 n GLU 168 N -2.63 4.41 -0.19 0.07 4.71 -1.26 -4.45 120.64 121.31 1sy2 n GLU 168 Ca 0.02 -3.06 0.09 0.00 -0.01 0.00 0.00 57.16 54.20 1sy2 n GLU 168 Cb 0.29 -2.11 0.19 0.00 -1.01 0.00 0.00 31.44 28.79 1sy2 n GLU 168 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1sy2 n ASN 169 N 0.80 3.17 -2.20 1.62 5.03 -1.13 -4.97 115.26 117.57 1sy2 n ASN 169 Ca 0.27 -1.91 -0.15 0.00 0.87 0.00 0.00 54.58 53.65 1sy2 n ASN 169 Cb 1.07 -0.24 -0.02 0.00 -1.02 0.00 0.00 39.78 39.57 1sy2 n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1sy2 n ASN 170 N 1.12 -4.45 -4.75 6.41 4.13 -1.26 -4.88 115.26 111.58 1sy2 n ASN 170 Ca 0.16 0.18 -0.40 0.00 1.68 0.00 0.00 54.58 56.20 1sy2 n ASN 170 Cb 0.51 -3.82 -0.05 0.00 -1.54 0.00 0.00 39.78 34.88 1sy2 n ASN 170 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sy2 s ALA 172 N -1.10 1.78 0.10 0.00 0.00 -1.26 -5.14 121.76 116.14 1sy2 s ALA 172 Ca 0.43 -0.82 0.09 0.00 0.00 0.00 0.00 51.96 51.66 1sy2 s ALA 172 Cb -0.29 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1sy2 s ALA 172 CO 0.36 0.31 -0.19 0.71 0.00 0.00 0.00 175.76 176.95 1sy2 s TYR 173 N 0.04 2.51 -0.97 0.00 2.02 -1.26 -5.07 117.35 114.62 1sy2 s TYR 173 Ca -0.06 -0.28 -0.12 0.00 -0.37 0.00 0.00 57.07 56.24 1sy2 s TYR 173 Cb -0.13 -1.36 0.23 0.00 -0.40 0.00 0.00 41.96 40.30 1sy2 s TYR 173 CO 0.03 0.35 0.97 0.34 -1.57 0.00 0.00 175.55 175.67 1sy2 s ASP 174 N -1.97 7.00 0.39 2.29 -1.08 -1.26 -4.88 116.67 117.17 1sy2 s ASP 174 Ca 0.17 -3.03 0.06 0.00 -0.52 0.00 0.00 52.55 49.22 1sy2 s ASP 174 Cb -0.10 -2.24 0.79 0.00 -1.46 0.00 0.00 42.92 39.91 1sy2 s ASP 174 CO 0.08 -0.50 2.03 0.78 0.52 0.00 0.00 175.17 178.08 1sy2 h ASN 175 N 7.36 0.52 -0.42 -0.34 -0.26 -2.00 -2.54 115.58 117.90 1sy2 h ASN 175 Ca 0.15 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.84 1sy2 h ASN 175 Cb 0.96 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 38.07 1sy2 h ASN 175 CO 0.91 0.40 0.16 0.44 -1.06 0.00 0.00 177.43 178.29 1sy2 h ASP 176 N 0.61 0.59 -0.62 5.81 3.32 -2.00 -1.88 116.42 122.26 1sy2 h ASP 176 Ca 0.16 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1sy2 h ASP 176 Cb -0.02 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1sy2 h ASP 176 CO -0.03 0.61 0.32 0.28 -1.72 0.00 0.00 179.24 178.69 1sy2 h SER 177 N 0.54 0.79 -0.60 6.45 0.02 -1.77 -1.50 113.55 117.48 1sy2 h SER 177 Ca 0.14 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1sy2 h SER 177 Cb 0.20 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1sy2 h SER 177 CO -0.01 0.68 0.38 -0.07 -1.14 0.00 0.00 176.83 176.67 1sy2 h LEU 178 N 0.84 0.70 -0.50 5.07 3.38 -1.23 -0.15 115.31 123.41 1sy2 h LEU 178 Ca 0.21 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1sy2 h LEU 178 Cb 0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1sy2 h LEU 178 CO -0.03 0.52 0.01 0.11 0.09 0.00 0.00 178.44 179.14 1sy2 h LYS 179 N 0.81 0.88 0.00 1.13 1.57 -1.24 -3.01 116.57 116.71 1sy2 h LYS 179 Ca 0.22 -0.27 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 1sy2 h LYS 179 Cb -0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1sy2 h LYS 179 CO -0.04 0.91 -0.60 0.66 -0.57 0.00 0.00 179.45 179.81 1sy2 h SER 180 N 0.75 0.00 0.34 0.86 4.64 -0.94 -2.76 113.55 116.44 1sy2 h SER 180 Ca 0.14 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1sy2 h SER 180 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1sy2 h SER 180 CO 0.02 0.60 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.47 1sy2 h LEU 181 N 0.00 0.00 -2.10 5.97 3.38 -0.89 -2.25 115.31 119.42 1sy2 h LEU 181 Ca -0.01 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1sy2 h LEU 181 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1sy2 h LEU 181 CO 0.08 0.04 0.27 -0.07 0.09 0.00 0.00 178.44 178.85 1sy2 h LEU 182 N 0.00 0.00 -0.38 1.67 3.38 -1.48 -1.17 115.31 117.33 1sy2 h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sy2 h LEU 182 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1sy2 h LEU 182 CO 0.01 0.00 -0.18 0.35 0.09 0.00 0.00 178.44 178.71 1sy2 n THR 183 N -4.06 0.00 0.91 0.22 -2.24 -0.84 -4.71 114.28 103.55 1sy2 n THR 183 Ca 0.04 -0.10 0.11 0.00 -2.27 0.00 0.00 64.05 61.83 1sy2 n THR 183 Cb 0.43 0.16 0.09 0.00 -2.10 0.00 0.00 70.33 68.91 1sy2 n THR 183 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79