#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sy3 n THR 3 N 0.19 0.00 -4.63 0.00 -2.24 -1.26 -4.98 114.28 101.35 1sy3 n THR 3 Ca -0.01 -0.21 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 1sy3 n THR 3 Cb 0.52 1.17 -0.13 0.00 -2.10 0.00 0.00 70.33 69.79 1sy3 n THR 3 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sy3 s LYS 4 N -0.30 3.33 -0.85 -0.78 -0.14 -1.26 -5.04 119.74 114.70 1sy3 s LYS 4 Ca 0.00 -0.61 -0.18 0.00 -1.36 0.00 0.00 55.97 53.83 1sy3 s LYS 4 Cb 0.00 -2.71 0.15 0.00 -1.68 0.00 0.00 37.83 33.60 1sy3 s LYS 4 CO 0.00 0.32 0.96 1.21 -0.76 0.00 0.00 175.35 177.08 1sy3 s ASN 5 N 0.10 6.59 0.30 2.83 3.84 -1.26 -5.04 114.94 122.30 1sy3 s ASN 5 Ca -0.03 -2.12 -0.29 0.00 0.21 0.00 0.00 52.86 50.63 1sy3 s ASN 5 Cb -0.14 -2.33 -0.10 0.00 -0.55 0.00 0.00 41.25 38.13 1sy3 s ASN 5 CO 0.04 -0.94 1.29 0.00 -2.79 0.00 0.00 177.10 174.70 1sy3 s ALA 6 N 1.99 3.50 -0.17 1.71 0.00 -1.26 -4.99 121.76 122.54 1sy3 s ALA 6 Ca 0.25 1.19 -0.16 0.00 0.00 0.00 0.00 51.96 53.24 1sy3 s ALA 6 Cb -0.09 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1sy3 s ALA 6 CO -0.07 -0.57 0.41 0.42 0.00 0.00 0.00 175.76 175.95 1sy3 s ILE 7 N -0.88 5.21 0.61 0.00 -1.09 -1.26 -5.01 121.20 118.78 1sy3 s ILE 7 Ca 0.50 0.77 -0.16 0.00 -2.23 0.00 0.00 60.65 59.52 1sy3 s ILE 7 Cb -0.38 -3.74 -0.03 0.00 -1.58 0.00 0.00 42.46 36.73 1sy3 s ILE 7 CO 0.48 0.30 1.09 0.00 -1.23 0.00 0.00 174.94 175.59 1sy3 s ALA 8 N 0.92 2.63 0.22 9.38 0.00 -1.26 -4.35 121.76 129.29 1sy3 s ALA 8 Ca 0.21 0.54 -0.32 0.00 0.00 0.00 0.00 51.96 52.39 1sy3 s ALA 8 Cb -0.14 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.55 1sy3 s ALA 8 CO 0.08 -0.97 1.51 0.94 0.00 0.00 0.00 175.76 177.32 1sy3 n GLN 9 N -2.02 2.23 -1.88 0.00 7.27 -0.18 -4.91 117.38 117.89 1sy3 n GLN 9 Ca 0.10 0.80 -0.42 0.00 0.07 0.00 0.00 57.00 57.55 1sy3 n GLN 9 Cb 0.52 -2.52 -0.03 0.00 2.41 0.00 0.00 30.24 30.62 1sy3 n GLN 9 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1sy3 s THR 10 N 0.34 2.45 -1.05 1.69 2.01 -1.26 -2.35 115.64 117.47 1sy3 s THR 10 Ca 0.71 0.33 0.00 0.00 0.31 0.00 0.00 61.69 63.04 1sy3 s THR 10 Cb -0.62 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1sy3 s THR 10 CO 0.45 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 1sy3 n GLY 11 N 3.76 0.50 3.60 4.40 0.00 -1.26 -4.94 105.19 111.25 1sy3 n GLY 11 Ca 0.14 -0.47 -0.49 0.00 0.00 0.00 0.00 46.02 45.21 1sy3 n GLY 11 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sy3 n PHE 12 N -3.41 1.56 -3.35 1.61 7.35 -0.99 -4.91 117.46 115.32 1sy3 n PHE 12 Ca -0.12 0.60 -0.46 0.00 -0.76 0.00 0.00 57.45 56.71 1sy3 n PHE 12 Cb 0.49 -2.34 -0.03 0.00 0.35 0.00 0.00 39.48 37.95 1sy3 n PHE 12 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1sy3 s ASN 13 N 0.23 6.50 0.16 -2.13 3.84 -1.26 -4.94 114.94 117.33 1sy3 s ASN 13 Ca 0.75 -2.41 -0.11 0.00 0.21 0.00 0.00 52.86 51.31 1sy3 s ASN 13 Cb -0.83 -2.19 0.04 0.00 -0.55 0.00 0.00 41.25 37.73 1sy3 s ASN 13 CO 0.49 -0.65 1.64 0.07 -2.79 0.00 0.00 177.10 175.86 1sy3 h LYS 14 N 8.10 0.94 -0.31 0.43 2.10 -2.00 -2.64 116.57 123.19 1sy3 h LYS 14 Ca -0.03 -0.27 -0.07 0.00 -2.00 0.00 0.00 60.65 58.28 1sy3 h LYS 14 Cb 1.06 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.27 1sy3 h LYS 14 CO 0.84 0.92 -0.11 -0.44 -2.00 0.00 0.00 179.45 178.67 1sy3 h ASP 15 N 0.83 0.51 -0.39 7.07 3.32 -1.92 0.34 116.42 126.17 1sy3 h ASP 15 Ca 0.16 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1sy3 h ASP 15 Cb 0.46 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1sy3 h ASP 15 CO 0.02 0.65 -0.15 0.11 -1.72 0.00 0.00 179.24 178.15 1sy3 h LYS 16 N 0.49 0.80 -0.15 3.56 1.57 -1.95 -3.15 116.57 117.73 1sy3 h LYS 16 Ca 0.09 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1sy3 h LYS 16 Cb 0.48 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1sy3 h LYS 16 CO 0.03 0.95 -0.09 -0.92 -0.57 0.00 0.00 179.45 178.85 1sy3 h TYR 17 N 0.60 0.38 -1.44 -1.35 3.20 -1.14 -3.28 116.97 113.95 1sy3 h TYR 17 Ca 0.09 -0.10 -0.74 0.00 3.14 0.00 0.00 58.73 61.13 1sy3 h TYR 17 Cb 0.69 -0.09 -0.17 0.00 1.54 0.00 0.00 36.73 38.71 1sy3 h TYR 17 CO 0.05 0.67 1.86 1.19 -1.64 0.00 0.00 178.16 180.29 1sy3 n PHE 18 N -4.62 2.56 0.74 -3.82 3.72 0.08 -4.64 117.46 111.48 1sy3 n PHE 18 Ca -0.06 -2.66 0.12 0.00 -0.05 0.00 0.00 57.45 54.80 1sy3 n PHE 18 Cb 0.31 -1.62 0.19 0.00 -0.94 0.00 0.00 39.48 37.42 1sy3 n PHE 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1sy3 n ASN 19 N 1.14 3.06 0.00 4.37 6.94 -1.13 -3.80 115.26 125.84 1sy3 n ASN 19 Ca 0.57 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 53.18 1sy3 n ASN 19 Cb 0.28 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.58 1sy3 n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sy3 n GLY 20 N 1.40 0.77 3.99 4.83 0.00 0.39 -4.95 105.19 111.62 1sy3 n GLY 20 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1sy3 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sy3 s ASP 21 N -2.83 4.62 -0.03 1.61 2.15 -1.24 -4.69 116.67 116.27 1sy3 s ASP 21 Ca 0.00 -0.37 -0.09 0.00 0.43 0.00 0.00 52.55 52.52 1sy3 s ASP 21 Cb 0.00 -0.13 -0.05 0.00 -0.30 0.00 0.00 42.92 42.44 1sy3 s ASP 21 CO 0.00 -1.66 0.27 -0.69 -0.17 0.00 0.00 175.17 172.93 1sy3 s VAL 22 N -3.00 5.28 -0.07 1.11 1.01 -1.26 -2.61 120.40 120.85 1sy3 s VAL 22 Ca 0.64 0.37 0.05 0.00 0.00 0.00 0.00 61.98 63.04 1sy3 s VAL 22 Cb -0.06 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1sy3 s VAL 22 CO 0.42 0.49 -0.22 0.26 0.00 0.00 0.00 175.10 176.05 1sy3 s TRP 23 N -1.17 2.54 -0.11 5.22 0.52 0.67 -4.62 118.94 121.98 1sy3 s TRP 23 Ca 0.23 -0.71 -0.04 0.00 0.02 0.00 0.00 56.10 55.60 1sy3 s TRP 23 Cb -0.14 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.49 1sy3 s TRP 23 CO 0.12 -0.21 0.05 0.71 0.02 0.00 0.00 176.95 177.64 1sy3 s TYR 24 N -0.06 3.30 -0.21 -1.98 2.02 -0.26 -0.96 117.35 119.20 1sy3 s TYR 24 Ca -0.06 0.25 -0.29 0.00 -0.37 0.00 0.00 57.07 56.60 1sy3 s TYR 24 Cb -0.14 -1.89 0.00 0.00 -0.40 0.00 0.00 41.96 39.53 1sy3 s TYR 24 CO 0.05 0.48 1.13 0.08 -1.57 0.00 0.00 175.55 175.71 1sy3 s VAL 25 N -0.66 4.52 -0.13 0.71 1.01 -0.53 -1.23 120.40 124.09 1sy3 s VAL 25 Ca 0.11 1.84 0.19 0.00 0.00 0.00 0.00 61.98 64.13 1sy3 s VAL 25 Cb -0.12 -4.19 -0.28 0.00 0.00 0.00 0.00 36.38 31.79 1sy3 s VAL 25 CO 0.02 -0.17 0.29 0.35 0.00 0.00 0.00 175.10 175.59 1sy3 n THR 26 N 5.36 0.84 -3.67 3.92 -2.24 -0.13 -4.67 114.28 113.69 1sy3 n THR 26 Ca 0.13 -0.71 -0.15 0.00 -2.27 0.00 0.00 64.05 61.05 1sy3 n THR 26 Cb 0.46 -0.30 -0.08 0.00 -2.10 0.00 0.00 70.33 68.30 1sy3 n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1sy3 s ASP 27 N -5.14 -0.40 0.07 3.42 1.11 -1.20 -1.05 116.67 113.48 1sy3 s ASP 27 Ca -0.09 0.46 -0.06 0.00 0.18 0.00 0.00 52.55 53.04 1sy3 s ASP 27 Cb 0.09 0.51 -0.01 0.00 1.07 0.00 0.00 42.92 44.59 1sy3 s ASP 27 CO 0.86 -0.45 0.12 -0.72 1.18 0.00 0.00 175.17 176.16 1sy3 s TYR 28 N -0.98 0.24 -0.10 4.23 1.13 -0.12 -0.88 117.35 120.88 1sy3 s TYR 28 Ca -0.10 -0.67 -0.03 0.00 -1.41 0.00 0.00 57.07 54.85 1sy3 s TYR 28 Cb -0.03 -0.15 0.05 0.00 -1.10 0.00 0.00 41.96 40.72 1sy3 s TYR 28 CO 0.05 -0.47 0.08 -1.17 -2.51 0.00 0.00 175.55 171.54 1sy3 s LEU 29 N -2.71 0.20 -0.20 -3.49 2.96 -0.10 -0.26 118.68 115.08 1sy3 s LEU 29 Ca 0.03 -0.19 -0.09 0.00 -0.22 0.00 0.00 54.13 53.66 1sy3 s LEU 29 Cb 0.04 -0.13 -0.05 0.00 0.50 0.00 0.00 46.19 46.55 1sy3 s LEU 29 CO -0.09 -0.29 0.11 0.21 -1.32 0.00 0.00 176.35 174.96 1sy3 s ASN 30 N 2.17 5.95 0.46 3.68 3.84 -1.26 -0.77 114.94 129.01 1sy3 s ASN 30 Ca 0.04 0.14 0.26 0.00 0.21 0.00 0.00 52.86 53.51 1sy3 s ASN 30 Cb -0.14 -2.04 0.93 0.00 -0.55 0.00 0.00 41.25 39.45 1sy3 s ASN 30 CO -0.06 0.15 1.82 -0.07 -2.79 0.00 0.00 177.10 176.15 1sy3 h LEU 31 N 6.90 0.00 -7.75 3.21 3.38 -1.43 -3.20 115.31 116.41 1sy3 h LEU 31 Ca -0.39 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 56.82 1sy3 h LEU 31 Cb 1.16 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.62 1sy3 h LEU 31 CO 0.71 0.16 -0.04 -1.61 0.09 0.00 0.00 178.44 177.76 1sy3 s GLU 32 N -3.57 3.30 0.56 1.13 2.02 -1.26 -4.99 118.70 115.89 1sy3 s GLU 32 Ca 0.02 -2.48 0.25 0.00 0.02 0.00 0.00 54.97 52.78 1sy3 s GLU 32 Cb 0.09 -4.22 1.61 0.00 0.10 0.00 0.00 34.13 31.71 1sy3 s GLU 32 CO 0.62 -1.26 2.20 -1.00 0.02 0.00 0.00 175.26 175.84 1sy3 h PRO 33 N 7.56 0.00 -0.04 0.39 0.13 -1.95 -1.15 132.00 136.94 1sy3 h PRO 33 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1sy3 h PRO 33 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1sy3 h PRO 33 CO 0.74 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.29 1sy3 n ASP 34 N -4.01 0.57 0.19 1.44 9.92 -1.26 -3.83 116.55 119.58 1sy3 n ASP 34 Ca -0.03 -1.39 0.06 0.00 -0.53 0.00 0.00 54.79 52.90 1sy3 n ASP 34 Cb 0.11 -0.02 0.33 0.00 -0.64 0.00 0.00 41.12 40.90 1sy3 n ASP 34 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1sy3 h ASP 35 N 0.81 0.00 -4.81 -2.24 5.19 -1.58 -3.46 116.42 110.33 1sy3 h ASP 35 Ca 0.00 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.19 1sy3 h ASP 35 Cb 0.17 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 39.50 1sy3 h ASP 35 CO 0.00 0.36 -0.71 0.68 -3.12 0.00 0.00 179.24 176.45 1sy3 s VAL 36 N -3.55 0.47 0.94 -1.35 -7.23 -1.25 -5.06 120.40 103.37 1sy3 s VAL 36 Ca 0.01 -1.39 -0.11 0.00 -1.81 0.00 0.00 61.98 58.67 1sy3 s VAL 36 Cb 0.10 -0.98 0.16 0.00 0.56 0.00 0.00 36.38 36.22 1sy3 s VAL 36 CO 0.68 -0.62 1.10 -2.84 -0.31 0.00 0.00 175.10 173.11 1sy3 s PRO 37 N -2.52 0.87 0.15 4.82 0.02 -1.26 -4.94 135.00 132.14 1sy3 s PRO 37 Ca -0.02 1.19 0.25 0.00 0.02 0.00 0.00 61.00 62.44 1sy3 s PRO 37 Cb -0.03 -1.74 0.53 0.00 0.02 0.00 0.00 34.50 33.28 1sy3 s PRO 37 CO -0.03 -2.62 1.50 1.63 -0.33 0.00 0.00 177.00 177.16 1sy3 n LYS 38 N -4.19 0.27 -4.62 5.54 5.02 -1.26 -4.67 118.16 114.26 1sy3 n LYS 38 Ca 0.09 0.13 -0.30 0.00 -2.02 0.00 0.00 58.31 56.21 1sy3 n LYS 38 Cb 0.53 -1.73 -0.17 0.00 -0.02 0.00 0.00 35.03 33.65 1sy3 n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1sy3 s ARG 39 N -3.14 2.61 0.29 1.97 1.81 -1.26 -4.95 118.95 116.28 1sy3 s ARG 39 Ca 0.08 -0.71 -0.18 0.00 -1.72 0.00 0.00 55.73 53.20 1sy3 s ARG 39 Cb 0.13 -2.14 0.02 0.00 -0.45 0.00 0.00 34.95 32.51 1sy3 s ARG 39 CO 0.67 -0.02 0.67 -0.47 -0.68 0.00 0.00 175.30 175.48 1sy3 s TYR 40 N 0.85 0.01 0.05 -0.53 6.14 -1.26 -4.47 117.35 118.14 1sy3 s TYR 40 Ca -0.08 -0.48 -0.16 0.00 0.64 0.00 0.00 57.07 56.99 1sy3 s TYR 40 Cb -0.15 0.60 0.03 0.00 0.42 0.00 0.00 41.96 42.85 1sy3 s TYR 40 CO -0.01 -1.24 0.37 0.00 0.64 0.00 0.00 175.55 175.31 1sy3 s ALA 42 N -2.65 -1.84 0.20 0.00 0.00 -1.26 -1.44 121.76 114.78 1sy3 s ALA 42 Ca -0.04 1.41 -0.16 0.00 0.00 0.00 0.00 51.96 53.17 1sy3 s ALA 42 Cb -0.00 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1sy3 s ALA 42 CO -0.04 -0.36 0.50 0.00 0.00 0.00 0.00 175.76 175.86 1sy3 s ALA 43 N -1.25 -0.72 0.07 0.00 0.00 -0.71 -1.46 121.76 117.69 1sy3 s ALA 43 Ca -0.06 -0.42 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 1sy3 s ALA 43 Cb -0.00 0.89 0.01 0.00 0.00 0.00 0.00 23.12 24.01 1sy3 s ALA 43 CO 0.06 -0.81 0.26 -0.48 0.00 0.00 0.00 175.76 174.79 1sy3 s LEU 44 N -2.91 1.09 0.12 0.00 0.05 -0.13 -1.06 118.68 115.84 1sy3 s LEU 44 Ca 0.12 -0.41 0.07 0.00 0.05 0.00 0.00 54.13 53.96 1sy3 s LEU 44 Cb -0.01 1.25 -0.04 0.00 -2.05 0.00 0.00 46.19 45.34 1sy3 s LEU 44 CO 0.00 -0.69 -0.05 0.00 -0.55 0.00 0.00 176.35 175.06 1sy3 s ALA 45 N -3.24 3.10 -0.05 1.48 0.00 0.13 -0.24 121.76 122.93 1sy3 s ALA 45 Ca -0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 51.96 50.68 1sy3 s ALA 45 Cb 0.02 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 22.20 1sy3 s ALA 45 CO -0.08 0.60 0.11 0.00 0.00 0.00 0.00 175.76 176.39 1sy3 s ALA 46 N -1.40 -0.12 0.02 0.00 0.00 -1.07 -1.10 121.76 118.09 1sy3 s ALA 46 Ca 0.24 0.53 -0.29 0.00 0.00 0.00 0.00 51.96 52.44 1sy3 s ALA 46 Cb -0.11 -0.45 0.11 0.00 0.00 0.00 0.00 23.12 22.67 1sy3 s ALA 46 CO 0.16 -0.22 1.22 0.20 0.00 0.00 0.00 175.76 177.13 1sy3 s GLY 47 N 1.36 -0.34 -0.17 0.00 0.00 -0.67 -0.47 107.32 107.03 1sy3 s GLY 47 Ca -0.07 0.50 -0.12 0.00 0.00 0.00 0.00 44.72 45.04 1sy3 s GLY 47 CO -0.05 0.64 0.21 -1.59 0.00 0.00 0.00 173.10 172.31 1sy3 s THR 48 N -2.53 5.36 -0.18 0.90 2.01 -1.25 -0.77 115.64 119.18 1sy3 s THR 48 Ca 0.15 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.52 1sy3 s THR 48 Cb 0.03 -3.54 0.04 0.00 0.01 0.00 0.00 72.50 69.04 1sy3 s THR 48 CO -0.02 0.43 -0.09 0.00 -0.69 0.00 0.00 174.62 174.25 1sy3 s ALA 49 N 0.29 1.81 -1.44 7.40 0.00 -0.15 -4.77 121.76 124.90 1sy3 s ALA 49 Ca 0.13 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 1sy3 s ALA 49 Cb -0.12 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.82 1sy3 s ALA 49 CO 0.01 -0.74 0.41 0.45 0.00 0.00 0.00 175.76 175.90 1sy3 n SER 50 N 4.76 -0.47 0.00 0.00 2.88 -1.26 -1.25 113.62 118.29 1sy3 n SER 50 Ca -0.14 -1.03 0.00 0.00 -1.33 0.00 0.00 58.87 56.37 1sy3 n SER 50 Cb 0.47 -2.91 0.00 0.00 -0.75 0.00 0.00 64.21 61.02 1sy3 n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sy3 n GLY 51 N -1.99 1.75 3.64 0.46 0.00 -1.26 -5.02 105.19 102.78 1sy3 n GLY 51 Ca -0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1sy3 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sy3 s LYS 52 N -0.09 3.51 -0.13 1.61 -0.14 -0.38 -5.08 119.74 119.04 1sy3 s LYS 52 Ca 0.00 -0.38 -0.29 0.00 -1.36 0.00 0.00 55.97 53.93 1sy3 s LYS 52 Cb 0.00 -3.00 -0.01 0.00 -1.68 0.00 0.00 37.83 33.14 1sy3 s LYS 52 CO 0.00 0.47 1.05 -1.17 -0.76 0.00 0.00 175.35 174.94 1sy3 s LEU 53 N -0.20 4.21 0.06 3.17 2.96 -1.26 -0.97 118.68 126.64 1sy3 s LEU 53 Ca 0.06 1.54 0.03 0.00 -0.22 0.00 0.00 54.13 55.54 1sy3 s LEU 53 Cb -0.12 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1sy3 s LEU 53 CO 0.02 -0.54 -0.10 -0.54 -1.32 0.00 0.00 176.35 173.87 1sy3 s LYS 54 N 2.41 0.67 0.04 1.98 -0.14 0.05 -1.26 119.74 123.50 1sy3 s LYS 54 Ca 0.49 -0.88 0.04 0.00 -1.36 0.00 0.00 55.97 54.26 1sy3 s LYS 54 Cb -0.18 -0.52 -0.02 0.00 -1.68 0.00 0.00 37.83 35.42 1sy3 s LYS 54 CO 0.15 0.10 -0.12 -1.21 -0.76 0.00 0.00 175.35 173.51 1sy3 s GLU 55 N -1.78 0.81 -0.09 1.68 2.02 -0.77 -1.67 118.70 118.91 1sy3 s GLU 55 Ca -0.05 -0.77 0.04 0.00 0.02 0.00 0.00 54.97 54.21 1sy3 s GLU 55 Cb -0.09 -0.77 -0.00 0.00 0.10 0.00 0.00 34.13 33.36 1sy3 s GLU 55 CO 0.01 0.18 -0.23 0.00 0.02 0.00 0.00 175.26 175.24 1sy3 s ALA 56 N -0.99 2.09 0.14 5.21 0.00 -0.26 -1.12 121.76 126.82 1sy3 s ALA 56 Ca -0.01 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.09 1sy3 s ALA 56 Cb -0.08 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1sy3 s ALA 56 CO 0.01 0.30 -0.12 -0.51 0.00 0.00 0.00 175.76 175.45 1sy3 s LEU 57 N 0.25 2.93 -0.03 0.00 1.43 0.12 -0.70 118.68 122.68 1sy3 s LEU 57 Ca -0.15 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.46 1sy3 s LEU 57 Cb -0.17 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1sy3 s LEU 57 CO 0.07 0.15 -0.04 -0.47 0.23 0.00 0.00 176.35 176.29 1sy3 s TYR 58 N -1.38 0.64 -0.01 0.29 5.04 -0.22 -1.62 117.35 120.09 1sy3 s TYR 58 Ca 0.22 -0.15 0.06 0.00 -2.44 0.00 0.00 57.07 54.75 1sy3 s TYR 58 Cb -0.10 -0.56 -0.01 0.00 0.35 0.00 0.00 41.96 41.63 1sy3 s TYR 58 CO 0.13 -0.14 -0.18 -1.01 -1.34 0.00 0.00 175.55 173.01 1sy3 s HIS 59 N 0.73 1.63 -0.12 4.97 3.76 -0.38 -1.74 115.29 124.13 1sy3 s HIS 59 Ca -0.09 -0.31 -0.05 0.00 -0.15 0.00 0.00 55.06 54.45 1sy3 s HIS 59 Cb -0.12 -1.04 0.06 0.00 1.11 0.00 0.00 32.58 32.58 1sy3 s HIS 59 CO -0.00 -0.02 0.26 -0.47 -0.85 0.00 0.00 174.74 173.66 1sy3 s TYR 60 N -0.46 -0.38 -0.41 1.40 5.04 -0.52 -1.88 117.35 120.14 1sy3 s TYR 60 Ca 0.07 0.89 -0.18 0.00 -2.44 0.00 0.00 57.07 55.41 1sy3 s TYR 60 Cb -0.07 0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.27 1sy3 s TYR 60 CO -0.00 -0.30 0.48 0.34 -1.34 0.00 0.00 175.55 174.73 1sy3 s ASP 61 N 1.82 6.23 0.21 4.32 -1.08 -0.21 -1.23 116.67 126.73 1sy3 s ASP 61 Ca -0.04 -0.48 0.23 0.00 -0.52 0.00 0.00 52.55 51.74 1sy3 s ASP 61 Cb -0.11 -2.25 0.92 0.00 -1.46 0.00 0.00 42.92 40.02 1sy3 s ASP 61 CO -0.09 -0.58 1.70 -0.81 0.52 0.00 0.00 175.17 175.91 1sy3 n PRO 62 N 5.73 0.18 -0.08 4.34 -0.04 -1.26 -0.30 135.00 143.55 1sy3 n PRO 62 Ca -0.06 0.36 -0.22 0.00 -0.04 0.00 0.00 63.50 63.54 1sy3 n PRO 62 Cb 0.48 -1.81 -0.12 0.00 -0.04 0.00 0.00 33.50 32.01 1sy3 n PRO 62 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1sy3 n LYS 63 N -2.13 0.60 0.14 0.54 5.02 -1.26 -4.51 118.16 116.57 1sy3 n LYS 63 Ca 0.03 0.50 0.12 0.00 -2.02 0.00 0.00 58.31 56.94 1sy3 n LYS 63 Cb 0.26 -1.73 0.10 0.00 -0.02 0.00 0.00 35.03 33.64 1sy3 n LYS 63 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1sy3 h THR 64 N -0.79 0.00 0.00 -0.18 1.35 -1.96 -3.47 112.91 107.86 1sy3 h THR 64 Ca -0.38 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 1sy3 h THR 64 Cb 1.47 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 1sy3 h THR 64 CO -0.16 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.11 1sy3 n GLN 65 N -2.76 -0.73 -1.72 4.72 6.02 0.58 -5.00 117.38 118.50 1sy3 n GLN 65 Ca 0.02 0.18 -0.42 0.00 -0.01 0.00 0.00 57.00 56.77 1sy3 n GLN 65 Cb 0.52 -3.73 -0.03 0.00 1.02 0.00 0.00 30.24 28.03 1sy3 n GLN 65 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1sy3 n ASP 66 N -0.36 3.99 -3.88 1.08 2.03 -1.24 -4.76 116.55 113.41 1sy3 n ASP 66 Ca 0.00 1.07 -0.16 0.00 0.52 0.00 0.00 54.79 56.22 1sy3 n ASP 66 Cb 0.18 -1.58 -0.15 0.00 -0.72 0.00 0.00 41.12 38.85 1sy3 n ASP 66 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1sy3 s THR 67 N 1.06 0.27 -0.07 5.18 2.01 -1.26 -1.04 115.64 121.78 1sy3 s THR 67 Ca 0.74 -0.05 -0.24 0.00 0.31 0.00 0.00 61.69 62.45 1sy3 s THR 67 Cb -0.50 -0.29 0.05 0.00 0.01 0.00 0.00 72.50 71.77 1sy3 s THR 67 CO 0.34 0.12 0.55 0.72 -0.69 0.00 0.00 174.62 175.66 1sy3 s PHE 68 N 0.51 -0.51 0.16 4.92 -0.71 -0.79 -5.02 117.98 116.54 1sy3 s PHE 68 Ca -0.05 0.96 0.08 0.00 -1.04 0.00 0.00 56.93 56.88 1sy3 s PHE 68 Cb -0.08 0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 1sy3 s PHE 68 CO -0.01 -0.48 -0.06 0.71 -1.34 0.00 0.00 175.22 174.04 1sy3 s TYR 69 N -0.92 2.75 0.03 3.49 1.51 -1.24 -1.25 117.35 121.70 1sy3 s TYR 69 Ca -0.10 -0.17 -0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1sy3 s TYR 69 Cb -0.02 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.44 1sy3 s TYR 69 CO 0.06 0.49 -0.03 -0.51 -1.11 0.00 0.00 175.55 174.46 1sy3 s ASP 70 N -2.70 0.28 -0.04 2.29 1.11 -0.64 -1.50 116.67 115.48 1sy3 s ASP 70 Ca 0.25 -0.59 0.06 0.00 0.18 0.00 0.00 52.55 52.45 1sy3 s ASP 70 Cb -0.10 0.12 -0.01 0.00 1.07 0.00 0.00 42.92 44.00 1sy3 s ASP 70 CO 0.16 -0.35 -0.22 -0.69 1.18 0.00 0.00 175.17 175.25 1sy3 s VAL 71 N -1.90 1.78 0.05 -1.27 1.01 -0.42 -0.70 120.40 118.96 1sy3 s VAL 71 Ca -0.12 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 60.92 1sy3 s VAL 71 Cb -0.07 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1sy3 s VAL 71 CO -0.03 0.50 -0.04 -0.44 0.00 0.00 0.00 175.10 175.10 1sy3 s SER 72 N -0.28 0.58 -0.20 3.32 0.01 -0.27 -1.34 113.70 115.52 1sy3 s SER 72 Ca 0.02 -0.89 -0.06 0.00 1.31 0.00 0.00 55.95 56.33 1sy3 s SER 72 Cb -0.11 0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 1sy3 s SER 72 CO 0.01 -0.50 0.04 -1.61 0.41 0.00 0.00 173.24 171.59 1sy3 s GLU 73 N -3.34 3.81 -0.16 12.44 2.02 -1.26 -1.84 118.70 130.37 1sy3 s GLU 73 Ca 0.03 -0.43 -0.11 0.00 0.02 0.00 0.00 54.97 54.49 1sy3 s GLU 73 Cb 0.03 -3.17 -0.05 0.00 0.10 0.00 0.00 34.13 31.04 1sy3 s GLU 73 CO -0.07 0.13 0.19 -0.51 0.02 0.00 0.00 175.26 175.02 1sy3 s LEU 74 N 0.74 4.28 0.01 1.80 1.02 -0.39 -3.70 118.68 122.43 1sy3 s LEU 74 Ca 0.02 0.40 -0.01 0.00 0.02 0.00 0.00 54.13 54.57 1sy3 s LEU 74 Cb -0.14 -2.19 -0.04 0.00 0.02 0.00 0.00 46.19 43.84 1sy3 s LEU 74 CO 0.02 0.22 0.14 -1.10 0.02 0.00 0.00 176.35 175.65 1sy3 s GLN 75 N -0.03 3.26 -0.17 1.70 -1.52 0.04 -4.62 119.66 118.32 1sy3 s GLN 75 Ca 0.13 -0.43 -0.18 0.00 -1.95 0.00 0.00 55.36 52.93 1sy3 s GLN 75 Cb -0.12 -2.97 -0.04 0.00 -0.22 0.00 0.00 33.01 29.66 1sy3 s GLN 75 CO 0.02 0.64 0.48 0.08 -0.25 0.00 0.00 175.29 176.27 1sy3 s VAL 76 N -1.32 5.15 -0.19 1.09 1.01 -1.26 -1.30 120.40 123.58 1sy3 s VAL 76 Ca 0.27 0.91 -0.01 0.00 0.00 0.00 0.00 61.98 63.15 1sy3 s VAL 76 Cb -0.12 -3.81 -0.21 0.00 0.00 0.00 0.00 36.38 32.23 1sy3 s VAL 76 CO 0.19 0.24 0.05 -0.62 0.00 0.00 0.00 175.10 174.96 1sy3 n GLU 77 N 4.36 0.70 -3.82 2.72 -0.58 -0.10 -4.95 120.64 118.97 1sy3 n GLU 77 Ca -0.06 0.20 -0.02 0.00 -0.42 0.00 0.00 57.16 56.85 1sy3 n GLU 77 Cb 0.51 -1.61 0.01 0.00 -0.57 0.00 0.00 31.44 29.78 1sy3 n GLU 77 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1sy3 s SER 78 N -6.70 -0.05 0.07 1.62 1.04 -1.07 -5.02 113.70 103.59 1sy3 s SER 78 Ca -0.28 -0.50 -0.31 0.00 0.48 0.00 0.00 55.95 55.34 1sy3 s SER 78 Cb 0.08 0.43 -0.08 0.00 0.10 0.00 0.00 66.02 66.55 1sy3 s SER 78 CO 0.68 -0.83 1.57 -0.22 0.98 0.00 0.00 173.24 175.42 1sy3 s LEU 79 N -3.25 4.36 0.00 2.42 2.96 -1.26 -1.35 118.68 122.56 1sy3 s LEU 79 Ca 0.19 2.42 0.00 0.00 -0.22 0.00 0.00 54.13 56.51 1sy3 s LEU 79 Cb -0.01 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.11 1sy3 s LEU 79 CO 0.03 -0.83 0.00 0.61 -1.32 0.00 0.00 176.35 174.84 1sy3 n GLY 80 N 3.85 0.72 2.87 7.98 0.00 -1.26 -4.77 105.19 114.58 1sy3 n GLY 80 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1sy3 n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sy3 s LYS 81 N -0.04 1.11 0.11 1.61 2.20 -0.45 -0.96 119.74 123.32 1sy3 s LYS 81 Ca 0.00 -0.13 0.04 0.00 -0.36 0.00 0.00 55.97 55.52 1sy3 s LYS 81 Cb 0.00 -1.21 -0.04 0.00 -1.51 0.00 0.00 37.83 35.07 1sy3 s LYS 81 CO 0.00 -0.20 -0.10 0.71 -0.36 0.00 0.00 175.35 175.40 1sy3 s TYR 82 N 1.50 1.09 -0.04 4.03 2.02 -0.08 -0.92 117.35 124.94 1sy3 s TYR 82 Ca -0.01 -0.71 0.07 0.00 -0.37 0.00 0.00 57.07 56.05 1sy3 s TYR 82 Cb -0.13 -0.59 -0.01 0.00 -0.40 0.00 0.00 41.96 40.83 1sy3 s TYR 82 CO -0.04 0.00 -0.24 0.99 -1.57 0.00 0.00 175.55 174.69 1sy3 s THR 83 N -2.80 1.97 -0.16 -0.71 2.01 -0.42 -1.27 115.64 114.26 1sy3 s THR 83 Ca 0.09 -1.04 -0.03 0.00 0.31 0.00 0.00 61.69 61.02 1sy3 s THR 83 Cb -0.01 -1.65 0.05 0.00 0.01 0.00 0.00 72.50 70.91 1sy3 s THR 83 CO -0.00 0.55 0.05 0.00 -0.69 0.00 0.00 174.62 174.53 1sy3 s ALA 84 N -0.31 0.73 -0.27 7.40 0.00 0.09 -0.78 121.76 128.63 1sy3 s ALA 84 Ca 0.01 -0.45 -0.25 0.00 0.00 0.00 0.00 51.96 51.28 1sy3 s ALA 84 Cb -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1sy3 s ALA 84 CO 0.02 -1.05 0.87 -0.80 0.00 0.00 0.00 175.76 174.80 1sy3 s ASN 85 N 1.98 6.83 0.13 0.00 0.01 -1.24 -1.00 114.94 121.65 1sy3 s ASN 85 Ca 0.01 0.98 0.01 0.00 -0.71 0.00 0.00 52.86 53.15 1sy3 s ASN 85 Cb -0.16 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 1sy3 s ASN 85 CO -0.08 -0.60 0.28 0.72 -1.51 0.00 0.00 177.10 175.91 1sy3 s PHE 86 N 3.01 3.49 -0.06 2.20 -0.12 -1.20 -3.98 117.98 121.33 1sy3 s PHE 86 Ca 0.36 0.21 0.05 0.00 -0.05 0.00 0.00 56.93 57.50 1sy3 s PHE 86 Cb -0.15 -1.73 -0.01 0.00 -0.63 0.00 0.00 43.02 40.50 1sy3 s PHE 86 CO 0.09 0.52 -0.22 -1.59 -0.05 0.00 0.00 175.22 173.96 1sy3 s LYS 87 N -3.01 2.39 0.05 1.99 -2.85 -0.45 -4.14 119.74 113.73 1sy3 s LYS 87 Ca 0.35 -0.81 -0.30 0.00 -1.00 0.00 0.00 55.97 54.21 1sy3 s LYS 87 Cb -0.12 -2.00 -0.04 0.00 -2.06 0.00 0.00 37.83 33.61 1sy3 s LYS 87 CO 0.28 0.31 0.98 0.21 0.10 0.00 0.00 175.35 177.23 1sy3 s LYS 88 N -0.02 4.61 0.11 1.78 2.20 -0.52 -1.30 119.74 126.59 1sy3 s LYS 88 Ca -0.06 1.45 0.03 0.00 -0.36 0.00 0.00 55.97 57.02 1sy3 s LYS 88 Cb -0.14 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1sy3 s LYS 88 CO 0.04 0.06 -0.08 0.14 -0.36 0.00 0.00 175.35 175.15 1sy3 s VAL 89 N 0.57 0.83 1.07 4.02 -7.23 -0.56 -0.57 120.40 118.53 1sy3 s VAL 89 Ca 0.50 -1.87 -0.17 0.00 -1.81 0.00 0.00 61.98 58.63 1sy3 s VAL 89 Cb -0.22 -1.61 0.23 0.00 0.56 0.00 0.00 36.38 35.35 1sy3 s VAL 89 CO 0.29 -0.77 1.20 1.51 -0.31 0.00 0.00 175.10 177.03 1sy3 s ASP 90 N -2.89 2.13 0.61 4.85 1.47 -0.41 -3.67 116.67 118.76 1sy3 s ASP 90 Ca 0.11 0.51 0.39 0.00 1.18 0.00 0.00 52.55 54.74 1sy3 s ASP 90 Cb 0.02 -0.71 1.94 0.00 -0.34 0.00 0.00 42.92 43.83 1sy3 s ASP 90 CO -0.02 -3.37 2.20 0.07 0.68 0.00 0.00 175.17 174.73 1sy3 h LYS 91 N -2.07 0.00 -0.17 2.11 2.10 -1.95 -1.06 116.57 115.53 1sy3 h LYS 91 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1sy3 h LYS 91 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1sy3 h LYS 91 CO 0.39 0.01 0.00 0.09 -2.00 0.00 0.00 179.45 177.94 1sy3 n ASN 92 N -3.16 2.12 0.00 7.07 3.02 -1.26 -4.79 115.26 118.26 1sy3 n ASN 92 Ca -0.02 -1.75 0.00 0.00 -0.03 0.00 0.00 54.58 52.78 1sy3 n ASN 92 Cb 0.17 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1sy3 n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sy3 n GLY 93 N 1.24 0.75 3.73 7.41 0.00 -0.40 -5.00 105.19 112.90 1sy3 n GLY 93 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1sy3 n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sy3 s ASN 94 N -2.52 7.07 -0.02 1.61 0.01 -1.26 -4.79 114.94 115.04 1sy3 s ASN 94 Ca 0.00 2.15 -0.30 0.00 -0.71 0.00 0.00 52.86 54.00 1sy3 s ASN 94 Cb 0.00 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 1sy3 s ASN 94 CO 0.00 -0.43 1.19 -0.69 -1.51 0.00 0.00 177.10 175.66 1sy3 s VAL 95 N 0.46 4.21 -0.26 1.60 1.01 -1.26 -1.29 120.40 124.88 1sy3 s VAL 95 Ca 0.56 1.56 0.02 0.00 0.00 0.00 0.00 61.98 64.12 1sy3 s VAL 95 Cb -0.32 -4.00 -0.17 0.00 0.00 0.00 0.00 36.38 31.89 1sy3 s VAL 95 CO 0.33 0.04 -0.22 0.29 0.00 0.00 0.00 175.10 175.54 1sy3 n LYS 96 N 4.77 0.65 -3.66 2.72 5.02 0.27 -4.92 118.16 123.01 1sy3 n LYS 96 Ca 0.10 0.15 -0.23 0.00 -2.02 0.00 0.00 58.31 56.31 1sy3 n LYS 96 Cb 0.46 -1.52 -0.17 0.00 -0.02 0.00 0.00 35.03 33.78 1sy3 n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1sy3 s VAL 97 N -2.52 -0.02 0.83 -0.18 1.01 -0.86 -4.98 120.40 113.69 1sy3 s VAL 97 Ca -0.34 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 1sy3 s VAL 97 Cb 0.09 -0.42 0.10 0.00 0.00 0.00 0.00 36.38 36.15 1sy3 s VAL 97 CO 0.61 -0.03 1.14 0.00 0.00 0.00 0.00 175.10 176.81 1sy3 s ALA 98 N 2.12 1.85 0.24 5.51 0.00 -1.26 -1.44 121.76 128.78 1sy3 s ALA 98 Ca 0.03 0.53 -0.31 0.00 0.00 0.00 0.00 51.96 52.22 1sy3 s ALA 98 Cb -0.14 -3.39 -0.14 0.00 0.00 0.00 0.00 23.12 19.45 1sy3 s ALA 98 CO -0.06 -2.26 1.23 0.28 0.00 0.00 0.00 175.76 174.94 1sy3 n VAL 99 N -3.72 1.30 -3.76 0.00 0.31 -1.26 -4.79 118.33 106.41 1sy3 n VAL 99 Ca 0.11 -0.32 -0.13 0.00 -0.01 0.00 0.00 64.34 63.98 1sy3 n VAL 99 Cb 0.52 -1.18 -0.09 0.00 -0.91 0.00 0.00 33.84 32.18 1sy3 n VAL 99 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1sy3 s THR 100 N -0.45 0.04 0.21 2.52 -1.32 -1.26 -5.07 115.64 110.31 1sy3 s THR 100 Ca 0.66 -0.37 -0.31 0.00 -1.21 0.00 0.00 61.69 60.46 1sy3 s THR 100 Cb -0.71 -0.59 -0.15 0.00 -1.51 0.00 0.00 72.50 69.53 1sy3 s THR 100 CO 0.54 -0.20 1.15 0.00 -2.21 0.00 0.00 174.62 173.90 1sy3 n ALA 101 N 1.61 -0.46 0.00 11.08 0.00 -1.26 -1.24 120.51 130.24 1sy3 n ALA 101 Ca -0.20 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1sy3 n ALA 101 Cb 0.56 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1sy3 n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sy3 n GLY 102 N 1.84 3.38 3.26 0.00 0.00 -1.26 -4.93 105.19 107.47 1sy3 n GLY 102 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1sy3 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sy3 s ASN 103 N -1.00 6.04 0.15 1.61 -0.87 -0.37 -3.18 114.94 117.31 1sy3 s ASN 103 Ca 0.00 -2.13 -0.14 0.00 -1.57 0.00 0.00 52.86 49.02 1sy3 s ASN 103 Cb 0.00 -2.10 0.02 0.00 -0.02 0.00 0.00 41.25 39.15 1sy3 s ASN 103 CO 0.00 -0.69 0.39 -0.72 -2.57 0.00 0.00 177.10 173.51 1sy3 s TYR 104 N 1.05 -0.01 0.07 2.20 1.13 -0.55 -3.22 117.35 118.02 1sy3 s TYR 104 Ca 0.08 -0.33 0.05 0.00 -1.41 0.00 0.00 57.07 55.46 1sy3 s TYR 104 Cb -0.24 0.20 -0.03 0.00 -1.10 0.00 0.00 41.96 40.79 1sy3 s TYR 104 CO -0.02 -0.75 -0.15 1.52 -2.51 0.00 0.00 175.55 173.64 1sy3 s TYR 105 N -3.87 1.28 0.32 -3.49 1.13 -0.17 -0.61 117.35 111.95 1sy3 s TYR 105 Ca 0.08 -0.44 -0.06 0.00 -1.41 0.00 0.00 57.07 55.24 1sy3 s TYR 105 Cb 0.02 -0.73 -0.05 0.00 -1.10 0.00 0.00 41.96 40.10 1sy3 s TYR 105 CO -0.07 0.07 0.61 0.95 -2.51 0.00 0.00 175.55 174.61 1sy3 s THR 106 N -1.18 4.96 -0.15 -3.49 -4.23 -0.48 -0.73 115.64 110.33 1sy3 s THR 106 Ca -0.00 0.19 -0.05 0.00 -1.18 0.00 0.00 61.69 60.65 1sy3 s THR 106 Cb -0.10 -3.74 0.07 0.00 1.34 0.00 0.00 72.50 70.08 1sy3 s THR 106 CO 0.02 -0.39 0.28 0.12 -0.54 0.00 0.00 174.62 174.12 1sy3 s PHE 107 N -2.17 -0.47 -0.11 3.99 5.36 -0.39 -2.82 117.98 121.36 1sy3 s PHE 107 Ca 0.46 0.94 0.02 0.00 -0.96 0.00 0.00 56.93 57.39 1sy3 s PHE 107 Cb -0.11 -0.03 0.01 0.00 -0.34 0.00 0.00 43.02 42.55 1sy3 s PHE 107 CO 0.31 -0.41 -0.17 0.99 -1.46 0.00 0.00 175.22 174.48 1sy3 s THR 108 N 2.44 1.59 -0.54 0.12 2.01 -0.17 -0.91 115.64 120.19 1sy3 s THR 108 Ca 0.02 -0.71 -0.21 0.00 0.31 0.00 0.00 61.69 61.11 1sy3 s THR 108 Cb -0.13 -1.44 0.06 0.00 0.01 0.00 0.00 72.50 71.00 1sy3 s THR 108 CO -0.10 0.46 0.75 -0.69 -0.69 0.00 0.00 174.62 174.35 1sy3 s VAL 109 N 0.90 4.69 0.08 3.82 1.01 -0.13 -1.25 120.40 129.52 1sy3 s VAL 109 Ca -0.08 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.67 1sy3 s VAL 109 Cb -0.15 -4.41 -0.16 0.00 0.00 0.00 0.00 36.38 31.65 1sy3 s VAL 109 CO -0.01 -0.97 1.31 0.24 0.00 0.00 0.00 175.10 175.67 1sy3 h MET 110 N 9.15 0.00 -2.18 2.72 2.86 -1.15 -0.47 114.93 125.86 1sy3 h MET 110 Ca -0.27 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.31 1sy3 h MET 110 Cb 1.09 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.53 1sy3 h MET 110 CO 1.03 0.91 0.05 -0.47 1.06 0.00 0.00 176.91 179.49 1sy3 s TYR 111 N -2.77 -0.69 -0.08 -0.22 5.04 -1.05 -3.10 117.35 114.48 1sy3 s TYR 111 Ca 0.01 1.64 -0.22 0.00 -2.44 0.00 0.00 57.07 56.06 1sy3 s TYR 111 Cb 0.10 0.25 0.05 0.00 0.35 0.00 0.00 41.96 42.71 1sy3 s TYR 111 CO 0.81 -0.37 0.52 0.00 -1.34 0.00 0.00 175.55 175.17 1sy3 s ALA 112 N 0.16 -1.33 0.00 3.97 0.00 -1.26 -1.07 121.76 122.23 1sy3 s ALA 112 Ca -0.01 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1sy3 s ALA 112 Cb -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1sy3 s ALA 112 CO 0.02 -0.31 0.00 -0.40 0.00 0.00 0.00 175.76 175.07 1sy3 n ASP 113 N 1.49 0.29 0.23 0.00 5.68 -0.20 -4.96 116.55 119.09 1sy3 n ASP 113 Ca -0.19 -0.55 0.08 0.00 -0.50 0.00 0.00 54.79 53.63 1sy3 n ASP 113 Cb 0.56 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.12 1sy3 n ASP 113 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1sy3 h ASP 114 N 0.00 0.00 0.00 -1.12 3.32 -2.02 -3.32 116.42 113.29 1sy3 h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sy3 h ASP 114 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sy3 h ASP 114 CO 0.00 0.19 -0.89 -1.54 -1.72 0.00 0.00 179.24 175.27 1sy3 n SER 115 N -3.98 2.45 -3.91 6.45 3.41 -1.26 -4.86 113.62 111.92 1sy3 n SER 115 Ca -0.02 -0.23 -0.08 0.00 -0.26 0.00 0.00 58.87 58.28 1sy3 n SER 115 Cb 0.27 1.16 -0.08 0.00 -0.26 0.00 0.00 64.21 65.31 1sy3 n SER 115 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1sy3 s SER 116 N -2.24 0.20 0.15 4.04 1.04 -1.25 -1.05 113.70 114.60 1sy3 s SER 116 Ca -0.01 -0.73 -0.23 0.00 0.48 0.00 0.00 55.95 55.47 1sy3 s SER 116 Cb 0.04 0.31 0.07 0.00 0.10 0.00 0.00 66.02 66.53 1sy3 s SER 116 CO 0.23 -0.70 0.58 0.00 0.98 0.00 0.00 173.24 174.33 1sy3 s ALA 117 N -3.87 -1.54 -0.11 5.32 0.00 -0.80 -1.03 121.76 119.73 1sy3 s ALA 117 Ca 0.05 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.50 1sy3 s ALA 117 Cb 0.06 0.83 0.02 0.00 0.00 0.00 0.00 23.12 24.02 1sy3 s ALA 117 CO -0.11 -0.74 -0.13 -1.17 0.00 0.00 0.00 175.76 173.61 1sy3 s LEU 118 N -2.68 1.59 0.20 0.00 2.96 -0.24 -0.52 118.68 120.00 1sy3 s LEU 118 Ca 0.01 -0.39 0.08 0.00 -0.22 0.00 0.00 54.13 53.61 1sy3 s LEU 118 Cb -0.01 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.63 1sy3 s LEU 118 CO -0.12 -0.02 -0.16 0.27 -1.32 0.00 0.00 176.35 175.00 1sy3 s ILE 119 N 1.15 1.84 0.00 6.68 -5.25 -0.39 -0.77 121.20 124.46 1sy3 s ILE 119 Ca -0.04 -2.13 0.08 0.00 -0.99 0.00 0.00 60.65 57.57 1sy3 s ILE 119 Cb -0.14 -2.00 -0.02 0.00 2.95 0.00 0.00 42.46 43.25 1sy3 s ILE 119 CO -0.03 -0.48 -0.26 -2.28 -1.79 0.00 0.00 174.94 170.09 1sy3 s HIS 120 N -2.61 2.33 0.01 1.37 5.65 -0.38 -1.14 115.29 120.52 1sy3 s HIS 120 Ca 0.21 -0.43 0.00 0.00 0.25 0.00 0.00 55.06 55.09 1sy3 s HIS 120 Cb -0.03 -1.46 -0.01 0.00 -1.18 0.00 0.00 32.58 29.90 1sy3 s HIS 120 CO 0.08 0.02 -0.02 -0.08 -0.65 0.00 0.00 174.74 174.08 1sy3 s THR 121 N -0.68 0.13 -0.19 0.89 -1.32 0.15 -1.00 115.64 113.61 1sy3 s THR 121 Ca 0.11 -0.43 0.01 0.00 -1.21 0.00 0.00 61.69 60.16 1sy3 s THR 121 Cb -0.10 -0.18 0.03 0.00 -1.51 0.00 0.00 72.50 70.74 1sy3 s THR 121 CO 0.00 -0.20 -0.14 0.00 -2.21 0.00 0.00 174.62 172.07 1sy3 s LEU 123 N 1.35 4.32 -0.15 0.00 2.96 -1.26 -1.39 118.68 124.51 1sy3 s LEU 123 Ca 0.01 0.81 0.02 0.00 -0.22 0.00 0.00 54.13 54.75 1sy3 s LEU 123 Cb -0.15 -2.62 0.01 0.00 0.50 0.00 0.00 46.19 43.93 1sy3 s LEU 123 CO -0.10 0.09 -0.21 -1.00 -1.32 0.00 0.00 176.35 173.81 1sy3 s HIS 124 N 0.20 2.71 -0.33 5.38 3.76 0.22 -2.42 115.29 124.81 1sy3 s HIS 124 Ca 0.24 -1.44 0.01 0.00 -0.15 0.00 0.00 55.06 53.72 1sy3 s HIS 124 Cb -0.15 -1.85 0.14 0.00 1.11 0.00 0.00 32.58 31.83 1sy3 s HIS 124 CO 0.10 -0.68 0.31 0.21 -0.85 0.00 0.00 174.74 173.84 1sy3 s LYS 125 N 0.98 0.47 1.95 1.40 2.20 -0.63 -1.48 119.74 124.62 1sy3 s LYS 125 Ca -0.03 -0.57 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 1sy3 s LYS 125 Cb -0.15 -0.76 0.00 0.00 -1.51 0.00 0.00 37.83 35.41 1sy3 s LYS 125 CO -0.06 -1.12 0.00 0.41 -0.36 0.00 0.00 175.35 174.23 1sy3 n GLY 126 N 4.74 -1.52 0.00 5.54 0.00 -1.19 -3.76 105.19 109.00 1sy3 n GLY 126 Ca 0.05 -1.32 0.07 0.00 0.00 0.00 0.00 46.02 44.82 1sy3 n GLY 126 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sy3 n ASN 127 N 0.03 0.00 -4.95 1.61 4.05 -1.26 -4.81 115.26 109.94 1sy3 n ASN 127 Ca 0.00 -0.72 -0.24 0.00 0.45 0.00 0.00 54.58 54.08 1sy3 n ASN 127 Cb 0.00 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.01 1sy3 n ASN 127 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1sy3 s LYS 128 N -2.00 3.32 0.00 1.20 1.02 -1.25 -5.12 119.74 116.91 1sy3 s LYS 128 Ca 0.21 -0.38 -0.15 0.00 0.02 0.00 0.00 55.97 55.68 1sy3 s LYS 128 Cb 0.10 -2.61 0.02 0.00 -0.52 0.00 0.00 37.83 34.82 1sy3 s LYS 128 CO 0.16 -0.04 0.32 0.16 -0.92 0.00 0.00 175.35 175.04 1sy3 s ASP 129 N -4.11 -0.18 -0.92 2.83 1.47 -1.26 -1.61 116.67 112.88 1sy3 s ASP 129 Ca 0.44 0.02 -0.00 0.00 1.18 0.00 0.00 52.55 54.19 1sy3 s ASP 129 Cb -0.10 0.33 0.33 0.00 -0.34 0.00 0.00 42.92 43.15 1sy3 s ASP 129 CO 0.37 -0.50 1.77 -0.11 0.68 0.00 0.00 175.17 177.39 1sy3 n LEU 130 N 1.06 7.06 -0.34 2.11 7.94 -1.02 -4.14 117.00 129.67 1sy3 n LEU 130 Ca -0.21 -5.27 0.00 0.00 -1.11 0.00 0.00 56.01 49.42 1sy3 n LEU 130 Cb 0.57 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 43.46 1sy3 n LEU 130 CO 0.22 2.01 0.00 0.61 -1.11 0.00 0.00 177.39 179.12 1sy3 n GLY 131 N -0.21 0.00 3.71 -3.96 0.00 -1.26 -4.65 105.19 98.81 1sy3 n GLY 131 Ca 0.47 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.06 1sy3 n GLY 131 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sy3 n ASP 132 N -2.69 3.60 -4.02 1.61 8.00 -1.26 -4.64 116.55 117.15 1sy3 n ASP 132 Ca 0.00 1.10 -0.28 0.00 0.71 0.00 0.00 54.79 56.32 1sy3 n ASP 132 Cb 0.33 -1.53 -0.17 0.00 -0.02 0.00 0.00 41.12 39.73 1sy3 n ASP 132 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sy3 s LEU 133 N 0.47 1.62 -0.02 0.64 2.96 -0.60 -1.09 118.68 122.66 1sy3 s LEU 133 Ca 0.71 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1sy3 s LEU 133 Cb -0.56 -1.04 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 1sy3 s LEU 133 CO 0.41 -0.02 0.07 -0.31 -1.32 0.00 0.00 176.35 175.17 1sy3 s TYR 134 N 1.19 3.27 -0.02 5.38 2.02 0.05 -0.68 117.35 128.57 1sy3 s TYR 134 Ca -0.03 0.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.89 1sy3 s TYR 134 Cb -0.14 -1.75 0.02 0.00 -0.40 0.00 0.00 41.96 39.69 1sy3 s TYR 134 CO -0.04 0.54 0.01 0.00 -1.57 0.00 0.00 175.55 174.49 1sy3 s ALA 135 N -1.14 0.15 -0.12 3.71 0.00 -0.29 -0.92 121.76 123.15 1sy3 s ALA 135 Ca 0.21 0.18 -0.21 0.00 0.00 0.00 0.00 51.96 52.14 1sy3 s ALA 135 Cb -0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1sy3 s ALA 135 CO 0.12 -0.06 0.59 0.08 0.00 0.00 0.00 175.76 176.49 1sy3 s VAL 136 N 0.78 5.10 0.16 0.00 1.01 -0.06 -1.26 120.40 126.13 1sy3 s VAL 136 Ca -0.07 1.18 0.08 0.00 0.00 0.00 0.00 61.98 63.18 1sy3 s VAL 136 Cb -0.10 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1sy3 s VAL 136 CO -0.02 0.24 -0.09 -0.76 0.00 0.00 0.00 175.10 174.47 1sy3 s LEU 137 N 1.02 3.00 0.03 3.92 1.43 0.32 -0.95 118.68 127.45 1sy3 s LEU 137 Ca 0.31 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 1sy3 s LEU 137 Cb -0.16 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 1sy3 s LEU 137 CO 0.13 0.12 0.06 0.21 0.23 0.00 0.00 176.35 177.11 1sy3 s ASN 138 N -2.64 0.18 0.43 2.29 3.84 -0.37 -1.90 114.94 116.77 1sy3 s ASN 138 Ca 0.24 -0.49 0.22 0.00 0.21 0.00 0.00 52.86 53.04 1sy3 s ASN 138 Cb -0.09 0.19 0.92 0.00 -0.55 0.00 0.00 41.25 41.71 1sy3 s ASN 138 CO 0.15 -0.43 1.84 0.03 -2.79 0.00 0.00 177.10 175.90 1sy3 h ARG 139 N 4.02 0.00 -4.92 0.43 2.47 -1.35 -0.67 114.38 114.36 1sy3 h ARG 139 Ca -0.32 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 57.74 1sy3 h ARG 139 Cb 1.19 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 29.27 1sy3 h ARG 139 CO 0.47 0.27 -0.63 1.21 0.56 0.00 0.00 179.97 181.84 1sy3 s ASN 140 N -6.32 5.03 0.63 7.04 3.84 -1.26 -4.82 114.94 119.08 1sy3 s ASN 140 Ca -0.01 -0.35 0.41 0.00 0.21 0.00 0.00 52.86 53.13 1sy3 s ASN 140 Cb 0.11 -1.89 2.15 0.00 -0.55 0.00 0.00 41.25 41.07 1sy3 s ASN 140 CO 0.65 -0.07 2.28 0.07 -2.79 0.00 0.00 177.10 177.24 1sy3 h LYS 141 N 8.23 0.00 -0.28 0.43 2.10 -1.95 -2.20 116.57 122.90 1sy3 h LYS 141 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1sy3 h LYS 141 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1sy3 h LYS 141 CO 0.59 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 177.80 1sy3 n ASP 142 N -3.18 3.25 -4.71 7.07 8.00 -1.26 -4.93 116.55 120.79 1sy3 n ASP 142 Ca -0.02 -1.96 -0.42 0.00 0.71 0.00 0.00 54.79 53.09 1sy3 n ASP 142 Cb 0.12 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 1sy3 n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sy3 s ALA 143 N -1.55 3.45 0.45 2.24 0.00 -0.83 -5.01 121.76 120.51 1sy3 s ALA 143 Ca 0.34 0.84 -0.24 0.00 0.00 0.00 0.00 51.96 52.90 1sy3 s ALA 143 Cb 0.21 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 1sy3 s ALA 143 CO 0.30 -0.57 1.22 0.00 0.00 0.00 0.00 175.76 176.71 1sy3 s ALA 144 N 1.44 3.05 0.11 0.00 0.00 -1.26 -4.95 121.76 120.16 1sy3 s ALA 144 Ca 0.59 1.06 -0.31 0.00 0.00 0.00 0.00 51.96 53.30 1sy3 s ALA 144 Cb -0.30 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.30 1sy3 s ALA 144 CO 0.28 -0.76 1.63 0.00 0.00 0.00 0.00 175.76 176.90 1sy3 s ALA 145 N -1.42 3.73 0.62 0.00 0.00 -1.26 -4.99 121.76 118.44 1sy3 s ALA 145 Ca 0.62 1.29 -0.01 0.00 0.00 0.00 0.00 51.96 53.86 1sy3 s ALA 145 Cb -0.33 -3.67 0.09 0.00 0.00 0.00 0.00 23.12 19.21 1sy3 s ALA 145 CO 0.40 -0.98 0.59 0.41 0.00 0.00 0.00 175.76 176.18 1sy3 n GLY 146 N 3.92 0.53 0.29 0.00 0.00 -1.26 -4.87 105.19 103.79 1sy3 n GLY 146 Ca 0.15 -1.97 -0.05 0.00 0.00 0.00 0.00 46.02 44.15 1sy3 n GLY 146 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sy3 h ASP 147 N -0.40 0.81 0.10 1.61 5.19 -1.98 -1.25 116.42 120.51 1sy3 h ASP 147 Ca -0.19 -0.20 -0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1sy3 h ASP 147 Cb 0.70 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1sy3 h ASP 147 CO 0.20 0.88 -0.05 0.11 -3.12 0.00 0.00 179.24 177.26 1sy3 h LYS 148 N 0.78 -0.13 -0.05 3.56 1.57 -1.99 -0.60 116.57 119.71 1sy3 h LYS 148 Ca 0.15 0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.73 1sy3 h LYS 148 Cb 0.48 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1sy3 h LYS 148 CO 0.02 -0.03 -0.83 -0.24 -0.57 0.00 0.00 179.45 177.80 1sy3 h VAL 149 N -0.20 1.38 -0.54 0.50 3.04 -1.93 -2.04 116.25 116.46 1sy3 h VAL 149 Ca -0.01 -2.27 -0.07 0.00 -1.01 0.00 0.00 66.70 63.34 1sy3 h VAL 149 Cb 0.16 2.24 -0.02 0.00 -2.01 0.00 0.00 31.29 31.67 1sy3 h VAL 149 CO 0.02 0.68 0.05 0.11 -1.01 0.00 0.00 177.57 177.43 1sy3 h LYS 150 N 0.28 0.89 -0.70 4.17 1.57 -1.17 -0.84 116.57 120.76 1sy3 h LYS 150 Ca -0.06 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 1sy3 h LYS 150 Cb 1.44 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 1sy3 h LYS 150 CO 0.15 0.85 0.24 0.77 -0.57 0.00 0.00 179.45 180.88 1sy3 h SER 151 N 0.83 0.98 -0.56 0.86 0.02 -0.97 -1.85 113.55 112.86 1sy3 h SER 151 Ca 0.17 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1sy3 h SER 151 Cb 0.42 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 1sy3 h SER 151 CO 0.01 0.90 0.24 0.00 -1.14 0.00 0.00 176.83 176.84 1sy3 h ALA 152 N 1.23 1.30 -0.42 3.77 0.00 -0.70 0.10 119.26 124.55 1sy3 h ALA 152 Ca 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1sy3 h ALA 152 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1sy3 h ALA 152 CO -0.01 0.52 0.26 0.28 0.00 0.00 0.00 179.25 180.30 1sy3 h VAL 153 N 0.85 1.13 -0.76 0.00 2.07 -0.69 -1.65 116.25 117.19 1sy3 h VAL 153 Ca 0.20 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1sy3 h VAL 153 Cb 0.16 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1sy3 h VAL 153 CO -0.02 0.13 0.47 -1.28 0.02 0.00 0.00 177.57 176.88 1sy3 h SER 154 N 0.56 0.90 0.49 0.57 0.87 -0.71 -2.08 113.55 114.15 1sy3 h SER 154 Ca 0.15 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1sy3 h SER 154 Cb -0.02 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1sy3 h SER 154 CO -0.03 0.69 -0.08 0.00 -0.53 0.00 0.00 176.83 176.89 1sy3 h ALA 155 N 1.25 1.14 -0.04 6.23 0.00 -0.41 0.76 119.26 128.19 1sy3 h ALA 155 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1sy3 h ALA 155 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1sy3 h ALA 155 CO -0.05 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1sy3 n ALA 156 N -2.19 2.59 -3.56 0.00 0.00 -0.66 -4.90 120.51 111.79 1sy3 n ALA 156 Ca -0.01 -0.22 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 1sy3 n ALA 156 Cb 0.24 -1.24 0.08 0.00 0.00 0.00 0.00 19.45 18.52 1sy3 n ALA 156 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1sy3 n THR 157 N -0.51 -3.95 -4.49 0.00 -1.04 0.26 -5.03 114.28 99.53 1sy3 n THR 157 Ca 0.14 -0.17 -0.25 0.00 -2.04 0.00 0.00 64.05 61.74 1sy3 n THR 157 Cb 0.13 -4.28 -0.10 0.00 -1.82 0.00 0.00 70.33 64.26 1sy3 n THR 157 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1sy3 s LEU 158 N -7.01 2.73 -0.27 -4.42 1.43 -0.82 -5.04 118.68 105.28 1sy3 s LEU 158 Ca 0.40 -1.10 -0.03 0.00 -1.03 0.00 0.00 54.13 52.37 1sy3 s LEU 158 Cb -0.18 -1.10 0.03 0.00 0.03 0.00 0.00 46.19 44.98 1sy3 s LEU 158 CO 0.73 -0.12 -0.02 -1.61 0.23 0.00 0.00 176.35 175.56 1sy3 s GLU 159 N -3.59 2.77 0.50 1.70 0.41 -1.26 -3.79 118.70 115.43 1sy3 s GLU 159 Ca 0.32 -1.03 0.17 0.00 -0.41 0.00 0.00 54.97 54.02 1sy3 s GLU 159 Cb -0.00 -3.11 1.23 0.00 -1.78 0.00 0.00 34.13 30.46 1sy3 s GLU 159 CO 0.16 -0.47 2.07 0.35 -0.49 0.00 0.00 175.26 176.88 1sy3 h PHE 160 N 8.05 0.12 -0.13 1.61 3.57 -1.91 -1.17 116.94 127.09 1sy3 h PHE 160 Ca -0.29 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.25 1sy3 h PHE 160 Cb 1.10 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1sy3 h PHE 160 CO 0.59 0.07 0.21 0.66 -2.23 0.00 0.00 178.31 177.61 1sy3 h SER 161 N 0.12 0.00 1.22 0.41 4.64 -2.01 -0.82 113.55 117.11 1sy3 h SER 161 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1sy3 h SER 161 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1sy3 h SER 161 CO -0.02 0.00 -0.51 0.11 -0.87 0.00 0.00 176.83 175.55 1sy3 h LYS 162 N 0.00 0.00 -7.00 4.77 1.57 -1.63 -3.47 116.57 110.81 1sy3 h LYS 162 Ca 0.06 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.32 1sy3 h LYS 162 Cb 0.47 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.87 1sy3 h LYS 162 CO -0.00 0.00 0.54 -0.06 -0.57 0.00 0.00 179.45 179.36 1sy3 s PHE 163 N -3.22 2.73 -0.18 -1.35 0.40 -0.32 -4.90 117.98 111.14 1sy3 s PHE 163 Ca 0.05 1.48 -0.13 0.00 -0.60 0.00 0.00 56.93 57.73 1sy3 s PHE 163 Cb 0.11 -3.53 -0.05 0.00 0.51 0.00 0.00 43.02 40.06 1sy3 s PHE 163 CO 0.71 -1.93 0.27 0.42 0.70 0.00 0.00 175.22 175.38 1sy3 s ILE 164 N -1.43 5.31 0.40 0.64 -1.09 0.64 -4.84 121.20 120.84 1sy3 s ILE 164 Ca 0.64 0.47 -0.22 0.00 -2.23 0.00 0.00 60.65 59.31 1sy3 s ILE 164 Cb -0.33 -3.61 -0.11 0.00 -1.58 0.00 0.00 42.46 36.84 1sy3 s ILE 164 CO 0.41 0.37 0.96 -0.55 -1.23 0.00 0.00 174.94 174.89 1sy3 s SER 165 N 0.61 7.01 0.00 3.58 0.15 -1.26 -0.94 113.70 122.85 1sy3 s SER 165 Ca 0.14 1.75 0.25 0.00 0.70 0.00 0.00 55.95 58.80 1sy3 s SER 165 Cb -0.13 -2.55 0.64 0.00 -1.71 0.00 0.00 66.02 62.26 1sy3 s SER 165 CO 0.04 -0.31 1.51 0.35 1.20 0.00 0.00 173.24 176.03 1sy3 n THR 166 N -0.32 0.09 0.36 6.45 -2.24 -0.22 -4.68 114.28 113.73 1sy3 n THR 166 Ca 0.06 -0.41 0.14 0.00 -2.27 0.00 0.00 64.05 61.57 1sy3 n THR 166 Cb 0.53 0.88 0.47 0.00 -2.10 0.00 0.00 70.33 70.11 1sy3 n THR 166 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1sy3 h LYS 167 N 3.40 0.00 -0.71 -0.78 2.10 -1.91 -3.09 116.57 115.58 1sy3 h LYS 167 Ca 0.00 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.44 1sy3 h LYS 167 Cb 0.73 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.93 1sy3 h LYS 167 CO 0.00 0.00 0.25 0.39 -2.00 0.00 0.00 179.45 178.09 1sy3 n GLU 168 N -2.72 3.67 -0.20 0.07 1.02 -1.26 -4.48 120.64 116.74 1sy3 n GLU 168 Ca 0.03 -3.10 0.07 0.00 -0.02 0.00 0.00 57.16 54.14 1sy3 n GLU 168 Cb 0.36 -2.20 0.18 0.00 -0.02 0.00 0.00 31.44 29.76 1sy3 n GLU 168 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sy3 n ASN 169 N -0.19 3.05 -1.77 1.62 3.02 -1.17 -4.98 115.26 114.84 1sy3 n ASN 169 Ca 0.40 -1.97 -0.14 0.00 -0.03 0.00 0.00 54.58 52.84 1sy3 n ASN 169 Cb 1.36 -0.26 -0.04 0.00 -0.61 0.00 0.00 39.78 40.23 1sy3 n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1sy3 n ASN 170 N 0.74 -4.03 -4.77 6.41 5.03 -1.26 -4.90 115.26 112.47 1sy3 n ASN 170 Ca 0.14 0.28 -0.37 0.00 0.87 0.00 0.00 54.58 55.50 1sy3 n ASN 170 Cb 0.45 -3.60 -0.01 0.00 -1.02 0.00 0.00 39.78 35.61 1sy3 n ASN 170 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sy3 s ALA 172 N -1.56 1.01 0.02 0.00 0.00 -1.26 -5.15 121.76 114.81 1sy3 s ALA 172 Ca 0.64 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 52.08 1sy3 s ALA 172 Cb -0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1sy3 s ALA 172 CO 0.34 0.23 -0.18 0.71 0.00 0.00 0.00 175.76 176.86 1sy3 s TYR 173 N -0.40 1.60 -0.97 0.00 2.02 -1.26 -5.07 117.35 113.26 1sy3 s TYR 173 Ca 0.04 -0.34 -0.15 0.00 -0.37 0.00 0.00 57.07 56.25 1sy3 s TYR 173 Cb -0.05 -0.98 0.19 0.00 -0.40 0.00 0.00 41.96 40.72 1sy3 s TYR 173 CO -0.00 0.03 1.06 0.34 -1.57 0.00 0.00 175.55 175.41 1sy3 s ASP 174 N -0.87 6.86 0.36 2.29 -1.08 -1.26 -4.87 116.67 118.11 1sy3 s ASP 174 Ca 0.06 -2.67 0.03 0.00 -0.52 0.00 0.00 52.55 49.45 1sy3 s ASP 174 Cb -0.08 -2.31 0.68 0.00 -1.46 0.00 0.00 42.92 39.75 1sy3 s ASP 174 CO 0.01 -0.72 2.02 0.78 0.52 0.00 0.00 175.17 177.77 1sy3 h ASN 175 N 7.85 0.68 -0.53 -0.34 4.21 -2.00 -2.44 115.58 123.03 1sy3 h ASN 175 Ca 0.17 -0.02 -0.03 0.00 1.21 0.00 0.00 56.30 57.63 1sy3 h ASN 175 Cb 0.98 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.99 1sy3 h ASN 175 CO 1.00 0.49 0.20 0.44 -1.29 0.00 0.00 177.43 178.27 1sy3 h ASP 176 N 0.81 0.73 -0.55 5.81 3.32 -2.00 -1.58 116.42 122.96 1sy3 h ASP 176 Ca 0.22 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1sy3 h ASP 176 Cb -0.07 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1sy3 h ASP 176 CO -0.05 0.71 0.21 -1.28 -1.72 0.00 0.00 179.24 177.11 1sy3 h SER 177 N 0.71 0.76 -0.55 6.45 0.87 -1.78 -1.41 113.55 118.60 1sy3 h SER 177 Ca 0.17 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1sy3 h SER 177 Cb 0.21 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 1sy3 h SER 177 CO -0.01 0.73 0.35 -0.07 -0.53 0.00 0.00 176.83 177.30 1sy3 h LEU 178 N 0.75 0.65 -0.43 2.23 3.38 -1.21 0.03 115.31 120.71 1sy3 h LEU 178 Ca 0.18 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1sy3 h LEU 178 Cb 0.21 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1sy3 h LEU 178 CO -0.01 0.50 0.10 0.11 0.09 0.00 0.00 178.44 179.23 1sy3 h LYS 179 N 0.75 0.70 -0.05 1.13 1.57 -1.18 -3.04 116.57 116.44 1sy3 h LYS 179 Ca 0.20 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1sy3 h LYS 179 Cb -0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1sy3 h LYS 179 CO -0.04 0.71 -0.48 0.66 -0.57 0.00 0.00 179.45 179.73 1sy3 h SER 180 N 0.57 0.12 0.18 0.86 4.64 -0.92 -2.80 113.55 116.20 1sy3 h SER 180 Ca 0.14 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1sy3 h SER 180 Cb 0.32 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1sy3 h SER 180 CO 0.00 0.58 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.43 1sy3 h LEU 181 N 0.09 0.00 -2.07 5.97 3.38 -0.88 -2.07 115.31 119.73 1sy3 h LEU 181 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1sy3 h LEU 181 Cb 0.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1sy3 h LEU 181 CO 0.07 0.04 0.28 -0.07 0.09 0.00 0.00 178.44 178.85 1sy3 h LEU 182 N 0.00 0.00 -0.18 1.67 3.38 -1.48 -1.45 115.31 117.25 1sy3 h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sy3 h LEU 182 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1sy3 h LEU 182 CO 0.01 0.00 -0.21 0.35 0.09 0.00 0.00 178.44 178.68 1sy3 n THR 183 N -4.15 0.00 1.02 0.22 -2.24 -0.78 -4.72 114.28 103.63 1sy3 n THR 183 Ca 0.05 -0.05 0.12 0.00 -2.27 0.00 0.00 64.05 61.91 1sy3 n THR 183 Cb 0.46 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.81 1sy3 n THR 183 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79