#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sny n ASN 3 N 0.00 0.14 -4.00 0.26 5.15 -1.26 -4.22 115.26 111.33 1sny n ASN 3 Ca 0.00 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.83 1sny n ASN 3 Cb 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.12 1sny n ASN 3 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1sny s SER 4 N -4.67 0.77 -0.06 1.20 1.04 -1.26 -0.47 113.70 110.24 1sny s SER 4 Ca 0.00 -0.26 -0.07 0.00 0.48 0.00 0.00 55.95 56.09 1sny s SER 4 Cb 0.00 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.10 1sny s SER 4 CO 0.00 -0.02 0.19 -0.51 0.98 0.00 0.00 173.24 173.88 1sny s ILE 5 N -0.57 0.02 -0.19 -1.02 2.07 -0.43 -2.28 121.20 118.80 1sny s ILE 5 Ca -0.02 -0.14 -0.01 0.00 -1.41 0.00 0.00 60.65 59.07 1sny s ILE 5 Cb -0.05 -0.32 0.00 0.00 0.13 0.00 0.00 42.46 42.22 1sny s ILE 5 CO 0.00 -0.08 -0.12 -0.22 -1.91 0.00 0.00 174.94 172.61 1sny s LEU 6 N -0.22 2.54 -0.11 8.50 2.96 0.44 -0.37 118.68 132.43 1sny s LEU 6 Ca -0.03 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.41 1sny s LEU 6 Cb -0.03 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 45.06 1sny s LEU 6 CO 0.01 0.02 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.24 1sny s ILE 7 N 1.22 1.68 0.14 6.68 1.01 -0.40 0.28 121.20 131.82 1sny s ILE 7 Ca 0.02 -0.77 -0.14 0.00 0.00 0.00 0.00 60.65 59.77 1sny s ILE 7 Cb -0.14 -1.51 -0.07 0.00 0.01 0.00 0.00 42.46 40.75 1sny s ILE 7 CO -0.05 0.48 0.53 0.42 0.00 0.00 0.00 174.94 176.31 1sny s THR 8 N 0.79 4.89 -0.54 2.92 -4.23 -0.96 -2.38 115.64 116.14 1sny s THR 8 Ca -0.10 0.78 -0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1sny s THR 8 Cb -0.16 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 69.96 1sny s THR 8 CO 0.01 0.25 0.52 0.61 -0.54 0.00 0.00 174.62 175.47 1sny n GLY 9 N 0.82 -1.00 0.52 3.99 0.00 -1.20 -2.74 105.19 105.57 1sny n GLY 9 Ca -0.06 0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.34 1sny n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sny h ASN 11 N 2.27 0.00 -4.12 0.00 -1.07 -1.91 -2.92 115.58 107.84 1sny h ASN 11 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 56.30 55.99 1sny h ASN 11 Cb 0.55 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.73 1sny h ASN 11 CO 0.00 0.33 -0.29 0.54 0.07 0.00 0.00 177.43 178.09 1sny n ARG 12 N -3.23 1.07 0.00 4.14 1.74 -1.26 -4.82 116.66 114.29 1sny n ARG 12 Ca 0.02 -2.18 0.00 0.00 -0.77 0.00 0.00 57.85 54.92 1sny n ARG 12 Cb 0.63 0.79 0.00 0.00 -1.02 0.00 0.00 32.46 32.86 1sny n ARG 12 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sny n GLY 13 N 1.02 0.00 0.39 -0.13 0.00 -1.26 -1.16 105.19 104.05 1sny n GLY 13 Ca -0.09 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.10 1sny n GLY 13 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sny h LEU 14 N 0.00 0.36 0.01 0.99 3.38 -1.96 -1.18 115.31 116.91 1sny h LEU 14 Ca 0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1sny h LEU 14 Cb 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1sny h LEU 14 CO 0.00 0.17 -0.04 1.23 0.09 0.00 0.00 178.44 179.90 1sny h GLY 15 N 0.38 -0.05 1.30 0.83 0.00 -1.58 0.24 103.07 104.18 1sny h GLY 15 Ca 0.39 0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.67 1sny h GLY 15 CO -0.12 -0.04 -0.10 -2.00 0.00 0.00 0.00 176.54 174.28 1sny h LEU 16 N -0.07 0.82 -0.86 3.11 5.85 -0.43 -2.27 115.31 121.45 1sny h LEU 16 Ca 0.01 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 1sny h LEU 16 Cb 0.09 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1sny h LEU 16 CO -0.03 0.94 0.26 1.23 -0.34 0.00 0.00 178.44 180.50 1sny h GLY 17 N 0.97 1.17 1.00 3.75 0.00 -0.76 -2.35 103.07 106.86 1sny h GLY 17 Ca 0.13 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 1sny h GLY 17 CO 0.04 0.62 -0.04 1.41 0.00 0.00 0.00 176.54 178.57 1sny h LEU 18 N 1.06 0.83 0.04 3.11 3.38 -0.31 -1.56 115.31 121.85 1sny h LEU 18 Ca 0.24 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1sny h LEU 18 Cb 0.25 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1sny h LEU 18 CO -0.01 0.96 -0.28 0.58 0.09 0.00 0.00 178.44 179.77 1sny h VAL 19 N 0.68 0.38 -0.68 1.22 2.07 -1.09 0.13 116.25 118.97 1sny h VAL 19 Ca 0.13 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.67 1sny h VAL 19 Cb 0.56 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1sny h VAL 19 CO 0.03 0.00 0.43 0.11 0.02 0.00 0.00 177.57 178.16 1sny h LYS 20 N -0.44 0.82 -0.21 1.57 1.57 -1.35 -1.76 116.57 116.77 1sny h LYS 20 Ca 0.05 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1sny h LYS 20 Cb 0.51 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1sny h LYS 20 CO -0.21 0.55 -0.11 0.00 -0.57 0.00 0.00 179.45 179.10 1sny h ALA 21 N 1.29 1.42 -0.54 3.86 0.00 -0.82 -1.77 119.26 122.70 1sny h ALA 21 Ca 0.27 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1sny h ALA 21 Cb -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1sny h ALA 21 CO -0.10 0.40 -0.07 -0.07 0.00 0.00 0.00 179.25 179.41 1sny h LEU 22 N 0.32 0.97 -0.32 0.00 3.38 0.08 -3.06 115.31 116.68 1sny h LEU 22 Ca 0.06 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1sny h LEU 22 Cb 0.40 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1sny h LEU 22 CO 0.02 1.07 0.02 -0.07 0.09 0.00 0.00 178.44 179.57 1sny h LEU 23 N 0.89 0.54 0.00 1.67 3.38 -0.82 -2.76 115.31 118.20 1sny h LEU 23 Ca 0.15 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1sny h LEU 23 Cb 0.62 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1sny h LEU 23 CO 0.04 0.69 0.00 0.59 0.09 0.00 0.00 178.44 179.85 1sny n ASN 24 N -4.57 0.00 -4.77 -0.43 3.02 -0.71 -4.65 115.26 103.15 1sny n ASN 24 Ca -0.02 0.24 -0.39 0.00 -0.03 0.00 0.00 54.58 54.38 1sny n ASN 24 Cb 0.25 -0.29 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 1sny n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1sny s LEU 25 N -2.57 4.28 0.22 3.41 1.43 -1.04 -4.92 118.68 119.48 1sny s LEU 25 Ca 0.03 2.39 -0.08 0.00 -1.03 0.00 0.00 54.13 55.44 1sny s LEU 25 Cb 0.02 -3.91 0.33 0.00 0.03 0.00 0.00 46.19 42.66 1sny s LEU 25 CO 0.05 -0.58 1.75 1.55 0.23 0.00 0.00 176.35 179.35 1sny h PRO 26 N 2.91 0.46 -3.02 1.29 0.13 -1.89 -3.11 132.00 128.77 1sny h PRO 26 Ca -0.48 -0.03 -0.67 0.00 -0.87 0.00 0.00 66.00 63.95 1sny h PRO 26 Cb 1.23 -0.10 -0.38 0.00 0.13 0.00 0.00 31.00 31.87 1sny h PRO 26 CO 0.63 0.31 -0.27 1.04 -0.23 0.00 0.00 178.00 179.48 1sny n GLN 27 N -4.95 2.50 -1.08 0.86 6.02 -1.26 -5.09 117.38 114.38 1sny n GLN 27 Ca 0.11 -4.53 -0.32 0.00 -0.01 0.00 0.00 57.00 52.25 1sny n GLN 27 Cb 0.30 -2.35 0.12 0.00 1.02 0.00 0.00 30.24 29.33 1sny n GLN 27 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1sny s PRO 28 N -1.71 1.68 0.60 -1.09 0.04 -1.18 -4.95 135.00 128.39 1sny s PRO 28 Ca 0.29 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 1sny s PRO 28 Cb -0.01 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 1sny s PRO 28 CO -0.11 -2.14 1.32 -2.14 0.04 0.00 0.00 177.00 173.97 1sny s PRO 29 N -4.44 2.82 0.16 0.56 0.02 -1.26 -4.91 135.00 127.94 1sny s PRO 29 Ca 0.68 2.13 -0.02 0.00 0.02 0.00 0.00 61.00 63.81 1sny s PRO 29 Cb -0.24 -2.03 -0.01 0.00 0.02 0.00 0.00 34.50 32.24 1sny s PRO 29 CO 0.53 -1.41 1.37 0.37 -0.33 0.00 0.00 177.00 177.53 1sny h GLN 30 N 0.96 0.36 -4.00 5.54 4.15 -1.12 -3.42 115.11 117.57 1sny h GLN 30 Ca -0.51 -0.35 -0.55 0.00 0.77 0.00 0.00 58.65 58.02 1sny h GLN 30 Cb 1.32 0.09 -0.38 0.00 0.21 0.00 0.00 27.48 28.71 1sny h GLN 30 CO 0.55 1.02 -0.78 -1.01 -1.93 0.00 0.00 178.83 176.67 1sny s HIS 31 N -3.39 1.58 -0.51 3.99 3.76 -0.51 -4.59 115.29 115.63 1sny s HIS 31 Ca -0.05 -1.09 -0.01 0.00 -0.15 0.00 0.00 55.06 53.76 1sny s HIS 31 Cb 0.10 -1.25 0.13 0.00 1.11 0.00 0.00 32.58 32.67 1sny s HIS 31 CO 0.85 -0.63 0.30 -1.17 -0.85 0.00 0.00 174.74 173.24 1sny s LEU 32 N 1.67 5.07 0.00 0.89 0.20 0.75 -1.31 118.68 125.95 1sny s LEU 32 Ca -0.01 -2.53 -0.27 0.00 0.69 0.00 0.00 54.13 52.02 1sny s LEU 32 Cb -0.16 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.76 1sny s LEU 32 CO -0.07 -0.41 0.85 -0.36 -0.29 0.00 0.00 176.35 176.06 1sny s PHE 33 N 0.41 3.67 -0.05 5.38 0.40 0.50 -0.39 117.98 127.90 1sny s PHE 33 Ca 0.13 1.52 0.02 0.00 -0.60 0.00 0.00 56.93 58.01 1sny s PHE 33 Cb -0.22 -2.95 0.01 0.00 0.51 0.00 0.00 43.02 40.37 1sny s PHE 33 CO -0.04 0.10 -0.09 0.95 0.70 0.00 0.00 175.22 176.84 1sny s THR 34 N 0.61 0.88 0.22 0.64 -4.23 0.92 -1.27 115.64 113.41 1sny s THR 34 Ca 0.44 -0.35 0.05 0.00 -1.18 0.00 0.00 61.69 60.66 1sny s THR 34 Cb -0.20 -0.82 -0.03 0.00 1.34 0.00 0.00 72.50 72.78 1sny s THR 34 CO 0.24 0.29 0.26 0.42 -0.54 0.00 0.00 174.62 175.29 1sny s THR 35 N 0.64 4.86 -0.15 3.99 -4.23 -1.00 -0.27 115.64 119.47 1sny s THR 35 Ca -0.11 -1.11 -0.30 0.00 -1.18 0.00 0.00 61.69 58.98 1sny s THR 35 Cb -0.14 -3.59 0.13 0.00 1.34 0.00 0.00 72.50 70.23 1sny s THR 35 CO 0.02 -0.27 1.00 0.00 -0.54 0.00 0.00 174.62 174.83 1sny h ARG 37 N 2.50 0.00 -3.36 0.00 3.08 -1.90 -2.78 114.38 111.93 1sny h ARG 37 Ca -0.18 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.29 1sny h ARG 37 Cb 1.17 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.82 1sny h ARG 37 CO 0.31 0.76 -0.76 1.21 -1.07 0.00 0.00 179.97 180.42 1sny s ASN 38 N -6.56 3.88 0.37 7.04 2.47 -1.26 -4.68 114.94 116.21 1sny s ASN 38 Ca 0.02 -1.73 0.08 0.00 0.42 0.00 0.00 52.86 51.64 1sny s ASN 38 Cb 0.09 -0.80 0.73 0.00 -1.45 0.00 0.00 41.25 39.82 1sny s ASN 38 CO 0.79 -0.40 1.92 -0.09 -3.72 0.00 0.00 177.10 175.60 1sny h ARG 39 N 7.92 0.36 -0.87 0.43 2.43 -1.96 -1.77 114.38 120.93 1sny h ARG 39 Ca -0.12 -0.07 0.15 0.00 -0.81 0.00 0.00 59.98 59.13 1sny h ARG 39 Cb 1.00 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 30.40 1sny h ARG 39 CO 0.46 0.43 0.46 0.93 -1.51 0.00 0.00 179.97 180.74 1sny h GLU 40 N 0.35 0.63 0.00 0.20 5.08 -1.99 -3.39 114.58 115.46 1sny h GLU 40 Ca 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1sny h GLU 40 Cb 0.31 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1sny h GLU 40 CO 0.01 0.42 0.00 0.00 -1.00 0.00 0.00 179.01 178.44 1sny n GLN 41 N -4.85 3.91 -4.31 2.33 10.64 -0.67 -4.61 117.38 119.82 1sny n GLN 41 Ca 0.18 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 55.04 1sny n GLN 41 Cb 0.45 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.73 1sny n GLN 41 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1sny n ALA 42 N -3.00 -2.01 -0.11 2.61 0.00 -1.24 -4.74 120.51 112.01 1sny n ALA 42 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 53.44 52.95 1sny n ALA 42 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1sny n ALA 42 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1sny h LYS 43 N -1.80 0.39 -0.99 0.00 1.79 -1.84 0.49 116.57 114.62 1sny h LYS 43 Ca -0.66 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 57.80 1sny h LYS 43 Cb 1.40 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.91 1sny h LYS 43 CO 0.71 0.26 0.66 1.49 -1.08 0.00 0.00 179.45 181.48 1sny h GLU 44 N 0.40 1.30 -0.22 3.15 4.81 -1.92 0.75 114.58 122.85 1sny h GLU 44 Ca 0.15 -0.08 -0.21 0.00 -0.13 0.00 0.00 59.36 59.09 1sny h GLU 44 Cb 0.03 -0.29 0.01 0.00 0.63 0.00 0.00 28.75 29.12 1sny h GLU 44 CO -0.08 0.86 -0.67 1.25 -0.73 0.00 0.00 179.01 179.64 1sny h LEU 45 N 1.34 0.97 -1.34 1.64 5.85 -1.76 -0.57 115.31 121.44 1sny h LEU 45 Ca 0.36 -0.58 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 1sny h LEU 45 Cb -0.16 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.58 1sny h LEU 45 CO -0.08 1.38 -0.33 -0.08 -0.34 0.00 0.00 178.44 178.99 1sny h GLU 46 N 0.60 0.00 0.03 1.25 4.57 0.55 -1.41 114.58 120.17 1sny h GLU 46 Ca -0.02 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.93 1sny h GLU 46 Cb 1.29 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.90 1sny h GLU 46 CO 0.14 0.33 -0.91 -0.44 -1.18 0.00 0.00 179.01 176.96 1sny h ASP 47 N 0.00 0.74 -0.28 1.04 5.19 0.67 -2.50 116.42 121.28 1sny h ASP 47 Ca -0.00 -0.78 -0.01 0.00 -0.62 0.00 0.00 57.03 55.62 1sny h ASP 47 Cb 0.60 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 1sny h ASP 47 CO 0.04 1.43 0.15 -0.07 -3.12 0.00 0.00 179.24 177.67 1sny h LEU 48 N 0.14 0.38 -0.20 1.55 3.38 -0.79 -2.23 115.31 117.54 1sny h LEU 48 Ca -0.12 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1sny h LEU 48 Cb 1.60 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1sny h LEU 48 CO 0.18 0.33 -0.05 0.00 0.09 0.00 0.00 178.44 178.99 1sny h ALA 49 N 1.73 0.27 0.00 1.53 0.00 -1.21 0.14 119.26 121.73 1sny h ALA 49 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sny h ALA 49 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1sny h ALA 49 CO -0.02 0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.92 1sny n LYS 50 N -4.62 0.02 -0.00 0.00 5.02 -0.88 -2.07 118.16 115.63 1sny n LYS 50 Ca -0.05 0.39 0.04 0.00 -2.02 0.00 0.00 58.31 56.67 1sny n LYS 50 Cb 0.28 -1.54 -0.05 0.00 -0.02 0.00 0.00 35.03 33.70 1sny n LYS 50 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1sny n ASN 51 N -1.57 2.51 -3.76 4.39 4.13 -0.99 -4.92 115.26 115.05 1sny n ASN 51 Ca 0.02 -0.17 -0.28 0.00 1.68 0.00 0.00 54.58 55.82 1sny n ASN 51 Cb 0.09 1.26 -0.16 0.00 -1.54 0.00 0.00 39.78 39.43 1sny n ASN 51 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1sny s HIS 52 N -2.32 1.35 -0.28 3.10 3.76 0.48 -5.00 115.29 116.38 1sny s HIS 52 Ca -0.01 -1.16 0.28 0.00 -0.15 0.00 0.00 55.06 54.01 1sny s HIS 52 Cb 0.05 -1.24 1.07 0.00 1.11 0.00 0.00 32.58 33.58 1sny s HIS 52 CO 0.31 -0.69 1.81 0.66 -0.85 0.00 0.00 174.74 175.99 1sny h SER 53 N 8.17 0.00 0.78 1.40 4.64 -1.86 -2.50 113.55 124.18 1sny h SER 53 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1sny h SER 53 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1sny h SER 53 CO 0.38 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.88 1sny n ASN 54 N -2.61 0.34 -4.74 4.97 6.94 -1.26 -4.66 115.26 114.23 1sny n ASN 54 Ca 0.02 0.57 -0.40 0.00 -0.02 0.00 0.00 54.58 54.75 1sny n ASN 54 Cb 0.29 -0.64 -0.05 0.00 -2.36 0.00 0.00 39.78 37.02 1sny n ASN 54 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1sny s ILE 55 N -3.12 4.75 -0.15 1.53 1.01 -0.94 -0.18 121.20 124.11 1sny s ILE 55 Ca 0.08 1.63 0.00 0.00 0.00 0.00 0.00 60.65 62.36 1sny s ILE 55 Cb 0.11 -4.12 0.03 0.00 0.01 0.00 0.00 42.46 38.49 1sny s ILE 55 CO 0.39 0.35 -0.12 -1.00 0.00 0.00 0.00 174.94 174.56 1sny s HIS 56 N 0.04 2.01 -0.23 3.97 3.76 0.47 -4.91 115.29 120.40 1sny s HIS 56 Ca 0.39 -1.15 -0.15 0.00 -0.15 0.00 0.00 55.06 54.01 1sny s HIS 56 Cb -0.20 -1.50 -0.04 0.00 1.11 0.00 0.00 32.58 31.95 1sny s HIS 56 CO 0.23 -0.64 0.35 0.42 -0.85 0.00 0.00 174.74 174.25 1sny s ILE 57 N 1.54 5.22 -0.13 0.60 1.01 -1.26 -0.06 121.20 128.12 1sny s ILE 57 Ca 0.04 0.57 0.01 0.00 0.00 0.00 0.00 60.65 61.28 1sny s ILE 57 Cb -0.13 -3.68 -0.00 0.00 0.01 0.00 0.00 42.46 38.66 1sny s ILE 57 CO -0.10 0.25 -0.17 -0.76 0.00 0.00 0.00 174.94 174.15 1sny s LEU 58 N 1.45 2.41 -0.21 2.97 1.43 0.63 -4.95 118.68 122.41 1sny s LEU 58 Ca 0.16 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1sny s LEU 58 Cb -0.15 -1.53 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 1sny s LEU 58 CO 0.08 0.12 0.19 -0.70 0.23 0.00 0.00 176.35 176.27 1sny s GLU 59 N 0.59 4.15 -0.19 1.70 2.12 -1.26 -2.65 118.70 123.16 1sny s GLU 59 Ca -0.10 -0.15 -0.30 0.00 0.36 0.00 0.00 54.97 54.78 1sny s GLU 59 Cb -0.16 -3.48 0.14 0.00 0.26 0.00 0.00 34.13 30.89 1sny s GLU 59 CO 0.03 0.16 1.10 -1.50 -0.54 0.00 0.00 175.26 174.51 1sny s ILE 60 N 0.77 0.00 -0.38 -3.70 2.07 -1.05 -4.97 121.20 113.94 1sny s ILE 60 Ca 0.10 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.26 1sny s ILE 60 Cb -0.13 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.51 1sny s ILE 60 CO 0.03 0.00 0.19 -0.62 -1.91 0.00 0.00 174.94 172.62 1sny s ASP 61 N -1.18 5.54 0.41 4.50 3.68 -1.26 -4.02 116.67 124.34 1sny s ASP 61 Ca 0.02 -1.24 0.10 0.00 2.13 0.00 0.00 52.55 53.56 1sny s ASP 61 Cb -0.01 -1.95 0.54 0.00 -1.45 0.00 0.00 42.92 40.06 1sny s ASP 61 CO -0.02 -0.42 1.18 -0.07 0.13 0.00 0.00 175.17 175.98 1sny h LEU 62 N 8.34 0.00 -0.37 -1.34 3.38 -1.99 0.19 115.31 123.51 1sny h LEU 62 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1sny h LEU 62 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1sny h LEU 62 CO 0.67 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.74 1sny n ARG 63 N -2.12 0.22 -3.02 1.13 1.74 -1.26 -4.30 116.66 109.05 1sny n ARG 63 Ca -0.01 0.32 -0.44 0.00 -0.77 0.00 0.00 57.85 56.95 1sny n ARG 63 Cb 0.53 -1.83 -0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1sny n ARG 63 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1sny s ASN 64 N -4.34 7.10 0.60 0.55 0.01 0.67 -4.86 114.94 114.66 1sny s ASN 64 Ca 0.07 -3.08 0.29 0.00 -0.71 0.00 0.00 52.86 49.43 1sny s ASN 64 Cb 0.11 -2.36 1.53 0.00 0.41 0.00 0.00 41.25 40.93 1sny s ASN 64 CO 0.48 -0.67 1.94 -0.26 -1.51 0.00 0.00 177.10 177.08 1sny h PHE 65 N 7.12 0.00 0.00 2.20 0.05 -1.85 0.84 116.94 125.30 1sny h PHE 65 Ca 0.28 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.07 1sny h PHE 65 Cb 0.88 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.83 1sny h PHE 65 CO 1.04 0.00 0.00 -0.44 -0.18 0.00 0.00 178.31 178.73 1sny h ASP 66 N 0.00 0.00 0.85 2.17 3.32 -1.96 -3.08 116.42 117.72 1sny h ASP 66 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1sny h ASP 66 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1sny h ASP 66 CO -0.00 0.00 -0.12 0.00 -1.72 0.00 0.00 179.24 177.40 1sny n ALA 67 N -1.90 2.64 -0.19 3.45 0.00 0.29 -4.01 120.51 120.79 1sny n ALA 67 Ca 0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 1sny n ALA 67 Cb 0.42 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.50 1sny n ALA 67 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1sny h TYR 68 N 0.02 0.91 -0.98 0.00 0.99 -1.63 -2.79 116.97 113.49 1sny h TYR 68 Ca 0.00 -0.11 0.23 0.00 2.00 0.00 0.00 58.73 60.85 1sny h TYR 68 Cb 0.49 -0.26 -0.12 0.00 1.00 0.00 0.00 36.73 37.84 1sny h TYR 68 CO 0.00 0.80 0.56 -0.44 -0.00 0.00 0.00 178.16 179.08 1sny h ASP 69 N 0.77 0.63 0.63 3.88 3.45 -1.80 0.70 116.42 124.69 1sny h ASP 69 Ca 0.17 0.13 -0.22 0.00 0.43 0.00 0.00 57.03 57.54 1sny h ASP 69 Cb 0.34 0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.14 1sny h ASP 69 CO 0.00 0.11 -1.00 0.50 -1.57 0.00 0.00 179.24 177.29 1sny h LYS 70 N 0.58 0.21 0.07 3.56 3.64 -1.79 -2.18 116.57 120.66 1sny h LYS 70 Ca 0.62 -0.27 0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1sny h LYS 70 Cb 1.14 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1sny h LYS 70 CO -0.47 1.04 -0.15 1.25 -2.27 0.00 0.00 179.45 178.86 1sny h LEU 71 N 0.09 -0.41 -1.44 5.20 5.85 -0.64 -0.04 115.31 123.92 1sny h LEU 71 Ca -0.07 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1sny h LEU 71 Cb 1.67 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.85 1sny h LEU 71 CO 0.15 -0.21 -0.00 0.58 -0.34 0.00 0.00 178.44 178.62 1sny h VAL 72 N -0.28 1.15 0.08 1.05 2.07 -1.27 -2.22 116.25 116.83 1sny h VAL 72 Ca 0.03 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1sny h VAL 72 Cb 0.31 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1sny h VAL 72 CO -0.09 0.20 -0.04 0.00 0.02 0.00 0.00 177.57 177.66 1sny h ALA 73 N 1.66 -0.11 -0.97 1.67 0.00 -0.65 -0.37 119.26 120.50 1sny h ALA 73 Ca 0.08 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1sny h ALA 73 Cb 0.24 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1sny h ALA 73 CO 0.01 -0.49 0.63 -0.44 0.00 0.00 0.00 179.25 178.95 1sny h ASP 74 N -0.24 1.02 0.29 0.00 3.32 -0.70 -1.26 116.42 118.85 1sny h ASP 74 Ca -0.01 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1sny h ASP 74 Cb 0.20 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1sny h ASP 74 CO 0.02 0.68 -0.14 0.40 -1.72 0.00 0.00 179.24 178.48 1sny h ILE 75 N 1.17 0.75 -0.91 0.35 2.04 -1.15 -3.05 117.51 116.71 1sny h ILE 75 Ca 0.40 -0.49 0.13 0.00 1.00 0.00 0.00 64.86 65.89 1sny h ILE 75 Cb 0.09 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 1sny h ILE 75 CO -0.14 0.10 0.59 -0.08 0.00 0.00 0.00 178.15 178.62 1sny h GLU 76 N -0.65 0.78 -0.46 2.37 4.81 -0.76 0.35 114.58 121.02 1sny h GLU 76 Ca -0.04 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1sny h GLU 76 Cb 0.46 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1sny h GLU 76 CO 0.06 0.52 0.29 0.78 -0.73 0.00 0.00 179.01 179.93 1sny h GLY 77 N 0.80 0.65 0.15 1.92 0.00 -1.17 0.49 103.07 105.93 1sny h GLY 77 Ca 0.45 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.39 1sny h GLY 77 CO -0.21 0.25 -0.71 -2.08 0.00 0.00 0.00 176.54 173.78 1sny h VAL 78 N 0.63 1.37 0.21 4.60 2.07 -0.91 -3.39 116.25 120.82 1sny h VAL 78 Ca 0.17 -2.32 -0.32 0.00 0.82 0.00 0.00 66.70 65.05 1sny h VAL 78 Cb -0.05 2.89 0.03 0.00 -1.52 0.00 0.00 31.29 32.64 1sny h VAL 78 CO -0.03 0.54 -1.40 0.71 0.02 0.00 0.00 177.57 177.41 1sny h THR 79 N -0.83 1.36 0.00 2.57 1.35 -1.03 -3.49 112.91 112.84 1sny h THR 79 Ca -0.17 -2.83 0.00 0.00 -0.55 0.00 0.00 66.41 62.85 1sny h THR 79 Cb 1.28 3.01 0.00 0.00 -1.73 0.00 0.00 68.15 70.71 1sny h THR 79 CO -0.04 0.84 0.00 0.29 -0.25 0.00 0.00 175.52 176.36 1sny n LYS 80 N -3.65 0.00 0.00 4.72 5.02 0.17 -2.61 118.16 121.81 1sny n LYS 80 Ca -0.14 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.18 1sny n LYS 80 Cb 1.08 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 36.25 1sny n LYS 80 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1sny n ASP 81 N 4.40 0.00 0.00 4.39 5.75 -1.26 -1.77 116.55 128.06 1sny n ASP 81 Ca 0.00 0.08 0.11 0.00 -0.01 0.00 0.00 54.79 54.97 1sny n ASP 81 Cb 0.00 -0.20 0.13 0.00 -1.03 0.00 0.00 41.12 40.02 1sny n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sny n GLN 82 N -1.20 0.04 0.00 0.11 1.13 -1.07 -4.78 117.38 111.61 1sny n GLN 82 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 1sny n GLN 82 Cb 0.04 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 28.87 1sny n GLN 82 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sny n GLY 83 N 1.48 0.75 3.22 1.08 0.00 -0.73 -3.78 105.19 107.22 1sny n GLY 83 Ca 0.05 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 1sny n GLY 83 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sny s LEU 84 N 0.00 2.49 0.12 0.99 2.96 -0.40 -4.80 118.68 120.03 1sny s LEU 84 Ca 0.00 -0.51 -0.09 0.00 -0.22 0.00 0.00 54.13 53.30 1sny s LEU 84 Cb 0.00 -1.59 -0.12 0.00 0.50 0.00 0.00 46.19 44.98 1sny s LEU 84 CO 0.00 0.01 1.31 0.78 -1.32 0.00 0.00 176.35 177.13 1sny h ASN 85 N 7.84 0.79 -3.59 3.68 4.21 -1.73 -3.34 115.58 123.44 1sny h ASN 85 Ca -0.41 -0.56 -0.28 0.00 1.21 0.00 0.00 56.30 56.26 1sny h ASN 85 Cb 1.16 -0.24 -0.32 0.00 -1.12 0.00 0.00 38.32 37.80 1sny h ASN 85 CO 0.61 1.35 -0.73 -0.69 -1.29 0.00 0.00 177.43 176.68 1sny s VAL 86 N -3.57 -0.01 -0.25 2.81 1.01 -0.97 -0.39 120.40 119.04 1sny s VAL 86 Ca -0.09 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1sny s VAL 86 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 36.38 36.38 1sny s VAL 86 CO 0.89 0.07 0.01 -0.22 0.00 0.00 0.00 175.10 175.85 1sny s LEU 87 N 0.72 3.31 -0.49 3.92 2.96 -0.43 -0.42 118.68 128.24 1sny s LEU 87 Ca -0.06 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.33 1sny s LEU 87 Cb -0.09 -1.81 0.13 0.00 0.50 0.00 0.00 46.19 44.93 1sny s LEU 87 CO -0.02 -0.08 0.28 0.12 -1.32 0.00 0.00 176.35 175.33 1sny s PHE 88 N 1.49 3.50 -0.64 5.38 5.99 0.14 -0.64 117.98 133.20 1sny s PHE 88 Ca 0.04 -2.67 -0.27 0.00 0.00 0.00 0.00 56.93 54.04 1sny s PHE 88 Cb -0.16 -3.15 -0.01 0.00 0.00 0.00 0.00 43.02 39.71 1sny s PHE 88 CO -0.00 -0.90 1.75 -0.80 -0.00 0.00 0.00 175.22 175.27 1sny s ASN 89 N 1.10 5.44 -0.07 6.13 0.01 -0.51 -2.26 114.94 124.78 1sny s ASN 89 Ca 0.13 0.16 0.07 0.00 -0.71 0.00 0.00 52.86 52.51 1sny s ASN 89 Cb -0.22 -2.54 -0.10 0.00 0.41 0.00 0.00 41.25 38.81 1sny s ASN 89 CO -0.04 -2.28 0.05 -3.20 -1.51 0.00 0.00 177.10 170.12 1sny n ASN 90 N 12.13 3.10 -4.67 -1.22 5.15 -1.25 -4.59 115.26 123.91 1sny n ASN 90 Ca 0.17 0.00 -0.48 0.00 -0.60 0.00 0.00 54.58 53.68 1sny n ASN 90 Cb 0.51 0.81 -0.05 0.00 -0.53 0.00 0.00 39.78 40.52 1sny n ASN 90 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sny n ALA 91 N -2.20 0.97 -3.59 5.20 0.00 -1.11 -4.92 120.51 114.86 1sny n ALA 91 Ca -0.11 0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.63 1sny n ALA 91 Cb 0.66 -2.39 -0.02 0.00 0.00 0.00 0.00 19.45 17.70 1sny n ALA 91 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1sny s GLY 92 N 2.19 -0.25 0.03 0.00 0.00 -1.26 -4.76 107.32 103.27 1sny s GLY 92 Ca 0.85 -0.04 -0.00 0.00 0.00 0.00 0.00 44.72 45.53 1sny s GLY 92 CO 0.45 -0.05 -0.03 -0.26 0.00 0.00 0.00 173.10 173.20 1sny s ILE 93 N -3.86 0.15 -0.17 0.90 -4.36 -1.26 -5.05 121.20 107.55 1sny s ILE 93 Ca 0.08 -1.22 -0.05 0.00 -0.26 0.00 0.00 60.65 59.19 1sny s ILE 93 Cb -0.03 -0.70 0.06 0.00 1.25 0.00 0.00 42.46 43.04 1sny s ILE 93 CO -0.01 -0.67 0.10 0.00 0.24 0.00 0.00 174.94 174.59 1sny s ALA 94 N -2.32 0.38 1.04 2.27 0.00 -1.26 -4.91 121.76 116.96 1sny s ALA 94 Ca -0.08 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 51.49 1sny s ALA 94 Cb -0.04 -1.03 0.21 0.00 0.00 0.00 0.00 23.12 22.26 1sny s ALA 94 CO -0.04 -1.16 1.08 -1.25 0.00 0.00 0.00 175.76 174.39 1sny s PRO 95 N 2.15 0.12 0.50 0.00 0.04 -1.26 -4.96 135.00 131.60 1sny s PRO 95 Ca 0.02 0.59 -0.23 0.00 0.04 0.00 0.00 61.00 61.43 1sny s PRO 95 Cb -0.16 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 1sny s PRO 95 CO -0.09 -2.96 1.32 0.15 0.04 0.00 0.00 177.00 175.46 1sny s LYS 96 N -4.85 3.41 0.44 4.56 1.02 -1.26 -4.92 119.74 118.13 1sny s LYS 96 Ca 0.66 2.15 -0.24 0.00 0.02 0.00 0.00 55.97 58.57 1sny s LYS 96 Cb -0.20 -2.38 -0.10 0.00 -0.52 0.00 0.00 37.83 34.63 1sny s LYS 96 CO 0.59 -0.95 1.04 0.45 -0.92 0.00 0.00 175.35 175.56 1sny n SER 97 N -0.71 1.40 -3.63 2.83 2.88 -1.26 -5.01 113.62 110.12 1sny n SER 97 Ca 0.08 1.02 -0.14 0.00 -1.33 0.00 0.00 58.87 58.51 1sny n SER 97 Cb 0.45 -1.38 -0.07 0.00 -0.75 0.00 0.00 64.21 62.46 1sny n SER 97 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sny s ALA 98 N -1.29 -1.79 0.61 -1.46 0.00 -1.26 -5.15 121.76 111.43 1sny s ALA 98 Ca 0.64 2.02 -0.15 0.00 0.00 0.00 0.00 51.96 54.47 1sny s ALA 98 Cb -0.54 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 1sny s ALA 98 CO 0.56 -0.34 1.06 1.03 0.00 0.00 0.00 175.76 178.07 1sny s ARG 99 N 0.36 3.25 0.44 0.00 0.52 -1.26 -4.74 118.95 117.52 1sny s ARG 99 Ca 0.00 1.18 0.21 0.00 -0.52 0.00 0.00 55.73 56.60 1sny s ARG 99 Cb -0.05 -2.02 1.18 0.00 0.52 0.00 0.00 34.95 34.58 1sny s ARG 99 CO 0.01 -0.87 1.84 0.97 0.02 0.00 0.00 175.30 177.27 1sny h ILE 100 N 0.27 0.60 0.00 1.52 6.09 -1.99 0.27 117.51 124.28 1sny h ILE 100 Ca -0.46 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 62.92 1sny h ILE 100 Cb 1.22 0.26 0.00 0.00 0.47 0.00 0.00 36.82 38.77 1sny h ILE 100 CO 0.57 0.06 0.00 0.35 -3.07 0.00 0.00 178.15 176.06 1sny n THR 101 N -4.48 0.38 -0.37 2.19 -2.24 -1.26 -2.83 114.28 105.67 1sny n THR 101 Ca 0.21 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1sny n THR 101 Cb 0.82 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1sny n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sny n ALA 102 N -1.20 1.61 -1.94 6.98 0.00 0.94 -5.07 120.51 121.83 1sny n ALA 102 Ca 0.09 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 1sny n ALA 102 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 1sny n ALA 102 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sny s VAL 103 N -0.30 2.77 -0.10 0.00 1.01 -1.04 -4.91 120.40 117.83 1sny s VAL 103 Ca 0.00 0.61 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 1sny s VAL 103 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1sny s VAL 103 CO 0.00 0.08 0.03 -0.13 0.00 0.00 0.00 175.10 175.08 1sny s ARG 104 N 0.19 3.18 0.41 2.72 0.52 -1.26 -5.01 118.95 119.70 1sny s ARG 104 Ca 0.62 -0.36 0.11 0.00 -0.52 0.00 0.00 55.73 55.58 1sny s ARG 104 Cb -0.41 -2.90 0.92 0.00 0.52 0.00 0.00 34.95 33.08 1sny s ARG 104 CO 0.38 0.66 1.98 0.66 0.02 0.00 0.00 175.30 179.00 1sny h SER 105 N 5.34 0.47 -0.06 0.23 4.64 -2.00 -1.96 113.55 120.20 1sny h SER 105 Ca -0.49 0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 60.69 1sny h SER 105 Cb 1.20 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1sny h SER 105 CO 0.57 0.30 -0.45 -0.61 -0.87 0.00 0.00 176.83 175.76 1sny h GLN 106 N 0.53 0.61 -0.46 4.77 5.75 -1.99 -1.78 115.11 122.55 1sny h GLN 106 Ca 0.27 -0.34 -0.06 0.00 -0.15 0.00 0.00 58.65 58.37 1sny h GLN 106 Cb 0.38 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 1sny h GLN 106 CO -0.08 0.94 0.02 1.49 -2.65 0.00 0.00 178.83 178.55 1sny h GLU 107 N 0.49 0.74 0.12 1.69 4.81 -1.79 0.31 114.58 120.95 1sny h GLU 107 Ca 0.03 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1sny h GLU 107 Cb 0.98 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1sny h GLU 107 CO 0.09 0.74 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.98 1sny h LEU 108 N 0.70 -0.13 -0.54 1.64 3.38 -1.22 -2.44 115.31 116.70 1sny h LEU 108 Ca 0.14 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1sny h LEU 108 Cb 0.40 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1sny h LEU 108 CO 0.01 0.30 0.36 -0.07 0.09 0.00 0.00 178.44 179.13 1sny h LEU 109 N -0.59 0.63 -0.78 1.67 -0.00 -1.19 -0.66 115.31 114.38 1sny h LEU 109 Ca -0.02 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.88 57.81 1sny h LEU 109 Cb 0.47 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.94 1sny h LEU 109 CO 0.03 0.46 0.34 0.44 -0.00 0.00 0.00 178.44 179.71 1sny h ASP 110 N 0.74 1.05 -0.35 -0.43 3.32 -0.99 0.47 116.42 120.22 1sny h ASP 110 Ca 0.20 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 1sny h ASP 110 Cb -0.08 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 1sny h ASP 110 CO -0.04 0.91 -0.23 0.74 -1.72 0.00 0.00 179.24 178.90 1sny h THR 111 N 1.11 1.29 -0.46 0.35 2.02 -1.20 -2.32 112.91 113.71 1sny h THR 111 Ca 0.26 -1.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.02 1sny h THR 111 Cb 0.17 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1sny h THR 111 CO -0.03 0.45 0.09 -0.07 0.37 0.00 0.00 175.52 176.34 1sny h LEU 112 N 0.57 0.65 -0.25 2.58 3.38 -0.87 -0.38 115.31 120.99 1sny h LEU 112 Ca 0.07 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1sny h LEU 112 Cb 0.79 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1sny h LEU 112 CO 0.06 0.66 -0.06 -0.61 0.09 0.00 0.00 178.44 178.58 1sny h GLN 113 N 0.68 0.49 0.10 1.13 4.15 -0.66 -1.37 115.11 119.62 1sny h GLN 113 Ca 0.15 -0.19 -0.27 0.00 0.77 0.00 0.00 58.65 59.11 1sny h GLN 113 Cb 0.29 -0.03 0.03 0.00 0.21 0.00 0.00 27.48 27.97 1sny h GLN 113 CO 0.00 0.71 -1.12 1.15 -1.93 0.00 0.00 178.83 177.64 1sny h THR 114 N 0.24 1.31 0.00 2.39 2.02 -1.33 -0.97 112.91 116.57 1sny h THR 114 Ca 0.06 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1sny h THR 114 Cb 0.53 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1sny h THR 114 CO 0.03 0.72 -0.58 0.78 0.37 0.00 0.00 175.52 176.84 1sny h ASN 115 N 0.20 0.00 0.00 4.18 4.21 -1.17 -3.38 115.58 119.61 1sny h ASN 115 Ca -0.17 -0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.31 1sny h ASN 115 Cb 1.80 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 39.00 1sny h ASN 115 CO 0.22 0.01 -0.26 0.41 -1.29 0.00 0.00 177.43 176.52 1sny n THR 116 N -2.72 1.00 -0.16 2.81 -1.04 -0.58 -4.66 114.28 108.92 1sny n THR 116 Ca 0.02 0.31 -0.09 0.00 -2.04 0.00 0.00 64.05 62.26 1sny n THR 116 Cb 0.52 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 1sny n THR 116 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1sny h VAL 117 N -0.04 1.20 0.14 12.58 2.07 -1.22 -2.86 116.25 128.11 1sny h VAL 117 Ca -0.01 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1sny h VAL 117 Cb 0.25 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1sny h VAL 117 CO -0.00 0.23 -0.18 0.58 0.02 0.00 0.00 177.57 178.22 1sny h VAL 118 N 0.59 0.60 -0.84 2.57 2.07 -1.35 -2.52 116.25 117.37 1sny h VAL 118 Ca 0.15 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.76 1sny h VAL 118 Cb 0.18 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1sny h VAL 118 CO -0.01 0.00 0.54 -0.65 0.02 0.00 0.00 177.57 177.47 1sny h PRO 119 N -0.36 0.80 -0.49 1.57 0.11 -1.76 0.17 132.00 132.04 1sny h PRO 119 Ca 0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1sny h PRO 119 Cb 0.36 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.29 1sny h PRO 119 CO -0.07 0.53 0.00 -0.89 -0.21 0.00 0.00 178.00 177.36 1sny n ILE 120 N -4.51 0.03 0.00 4.15 5.41 -0.95 -1.46 119.36 122.03 1sny n ILE 120 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.89 1sny n ILE 120 Cb 0.30 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.99 1sny n ILE 120 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1sny n LEU 122 N 0.33 0.00 -0.11 1.39 7.94 0.61 -1.42 117.00 125.74 1sny n LEU 122 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 1sny n LEU 122 Cb 0.11 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.06 1sny n LEU 122 CO 0.00 0.00 1.02 0.00 -1.11 0.00 0.00 177.39 177.30 1sny h ALA 123 N 0.00 0.47 -0.25 1.96 0.00 -1.47 -0.62 119.26 119.35 1sny h ALA 123 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1sny h ALA 123 Cb 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1sny h ALA 123 CO 0.00 -0.09 -0.08 -0.22 0.00 0.00 0.00 179.25 178.85 1sny h LYS 124 N 0.48 -0.03 -0.73 0.00 3.64 -1.49 -1.43 116.57 117.00 1sny h LYS 124 Ca 0.14 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1sny h LYS 124 Cb -0.03 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1sny h LYS 124 CO -0.04 -0.02 0.26 0.00 -2.27 0.00 0.00 179.45 177.38 1sny h ALA 125 N 1.20 1.09 0.00 5.00 0.00 -1.75 -2.74 119.26 122.07 1sny h ALA 125 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sny h ALA 125 Cb 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1sny h ALA 125 CO -0.28 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1sny h LEU 127 N 0.00 -0.25 -0.59 0.00 5.85 -0.95 0.33 115.31 119.71 1sny h LEU 127 Ca 0.00 0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1sny h LEU 127 Cb 0.44 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1sny h LEU 127 CO 0.00 -0.11 0.32 -0.65 -0.34 0.00 0.00 178.44 177.65 1sny h PRO 128 N 0.14 0.58 -0.62 5.25 0.11 -1.80 -0.01 132.00 135.65 1sny h PRO 128 Ca 0.35 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.35 1sny h PRO 128 Cb 0.58 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1sny h PRO 128 CO -0.55 0.39 0.08 -0.07 -0.21 0.00 0.00 178.00 177.64 1sny h LEU 129 N 0.60 1.00 -0.88 2.35 3.38 -1.53 -1.99 115.31 118.24 1sny h LEU 129 Ca 0.26 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1sny h LEU 129 Cb 0.16 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1sny h LEU 129 CO -0.17 1.02 -0.17 -0.07 0.09 0.00 0.00 178.44 179.14 1sny h LEU 130 N 0.95 0.63 -0.48 1.67 3.38 -0.46 -0.89 115.31 120.10 1sny h LEU 130 Ca 0.19 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1sny h LEU 130 Cb 0.46 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1sny h LEU 130 CO 0.02 0.81 -0.63 0.11 0.09 0.00 0.00 178.44 178.83 1sny h LYS 131 N 0.57 0.46 -0.55 1.13 1.57 -0.86 -0.50 116.57 118.39 1sny h LYS 131 Ca 0.09 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 1sny h LYS 131 Cb 0.61 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1sny h LYS 131 CO 0.04 0.94 0.08 0.87 -0.57 0.00 0.00 179.45 180.82 1sny h LYS 132 N 0.33 0.91 -0.59 3.15 1.57 -1.16 0.04 116.57 120.82 1sny h LYS 132 Ca -0.01 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.42 1sny h LYS 132 Cb 1.19 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1sny h LYS 132 CO 0.11 0.89 -0.03 0.00 -0.57 0.00 0.00 179.45 179.84 1sny h ALA 133 N 0.99 0.81 -0.66 3.86 0.00 -1.27 0.13 119.26 123.12 1sny h ALA 133 Ca 0.17 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1sny h ALA 133 Cb 0.42 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1sny h ALA 133 CO 0.01 0.67 0.19 0.00 0.00 0.00 0.00 179.25 180.13 1sny h ALA 134 N 0.98 1.10 -0.13 0.00 0.00 -0.79 -2.07 119.26 118.34 1sny h ALA 134 Ca 0.16 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1sny h ALA 134 Cb 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sny h ALA 134 CO 0.04 0.61 -0.38 -0.22 0.00 0.00 0.00 179.25 179.30 1sny h LYS 135 N 0.98 0.48 -0.02 0.00 1.63 -0.69 -1.83 116.57 117.12 1sny h LYS 135 Ca 0.21 -0.35 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1sny h LYS 135 Cb 0.29 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1sny h LYS 135 CO -0.01 0.97 0.03 0.00 -3.45 0.00 0.00 179.45 176.99 1sny h ALA 136 N 0.52 1.43 0.00 5.00 0.00 -0.55 -1.73 119.26 123.92 1sny h ALA 136 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1sny h ALA 136 Cb 1.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1sny h ALA 136 CO 0.08 -0.04 -0.52 0.09 0.00 0.00 0.00 179.25 178.87 1sny n ASN 137 N -3.65 1.69 0.22 0.00 3.02 -0.80 -4.81 115.26 110.93 1sny n ASN 137 Ca -0.03 -3.83 0.15 0.00 -0.03 0.00 0.00 54.58 50.85 1sny n ASN 137 Cb 0.11 -0.52 0.80 0.00 -0.61 0.00 0.00 39.78 39.56 1sny n ASN 137 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1sny h GLU 138 N 0.99 0.00 -0.00 3.52 4.11 -0.42 -0.89 114.58 121.89 1sny h GLU 138 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1sny h GLU 138 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1sny h GLU 138 CO 0.00 0.00 -0.08 -1.13 0.07 0.00 0.00 179.01 177.87 1sny n SER 139 N -2.55 0.35 -4.90 3.06 3.41 -1.26 -4.85 113.62 106.87 1sny n SER 139 Ca -0.02 -0.50 -0.21 0.00 -0.26 0.00 0.00 58.87 57.88 1sny n SER 139 Cb 0.06 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 1sny n SER 139 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1sny s GLN 140 N -2.47 3.18 0.00 4.33 -1.52 -0.34 -5.24 119.66 117.59 1sny s GLN 140 Ca 0.30 -0.91 0.00 0.00 -1.95 0.00 0.00 55.36 52.79 1sny s GLN 140 Cb 0.20 -2.73 0.00 0.00 -0.22 0.00 0.00 33.01 30.27 1sny s GLN 140 CO 0.47 0.40 0.00 -0.35 -0.25 0.00 0.00 175.29 175.56 1sny n PRO 141 N -1.30 0.00 0.00 2.91 -0.04 -1.26 -5.02 135.00 130.28 1sny n PRO 141 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1sny n PRO 141 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1sny n PRO 141 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sny n GLY 143 N 3.21 0.98 0.28 0.55 0.00 -1.26 -4.58 105.19 104.36 1sny n GLY 143 Ca 0.00 -2.25 0.19 0.00 0.00 0.00 0.00 46.02 43.96 1sny n GLY 143 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1sny h VAL 144 N 0.00 0.00 0.00 1.61 -1.51 -1.79 -0.65 116.25 113.91 1sny h VAL 144 Ca 0.00 -0.20 -0.01 0.00 -1.23 0.00 0.00 66.70 65.26 1sny h VAL 144 Cb 0.00 1.13 -0.00 0.00 -2.13 0.00 0.00 31.29 30.29 1sny h VAL 144 CO 0.00 0.00 -0.04 1.23 -1.23 0.00 0.00 177.57 177.53 1sny h GLY 145 N 0.93 0.00 0.00 5.19 0.00 -1.91 -3.39 103.07 103.89 1sny h GLY 145 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sny h GLY 145 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.41 1sny n ARG 146 N -3.15 0.00 -3.65 4.80 0.63 -0.30 -4.85 116.66 110.15 1sny n ARG 146 Ca 0.01 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 1sny n ARG 146 Cb 0.34 -0.01 -0.07 0.00 0.45 0.00 0.00 32.46 33.16 1sny n ARG 146 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1sny s ALA 147 N -4.25 -1.68 -0.08 5.13 0.00 -0.91 -4.10 121.76 115.88 1sny s ALA 147 Ca 0.00 1.98 -0.30 0.00 0.00 0.00 0.00 51.96 53.65 1sny s ALA 147 Cb 0.00 -1.16 0.10 0.00 0.00 0.00 0.00 23.12 22.06 1sny s ALA 147 CO 0.00 -0.33 0.83 0.00 0.00 0.00 0.00 175.76 176.27 1sny s ALA 148 N 0.63 -1.83 -0.19 0.00 0.00 0.48 -4.46 121.76 116.38 1sny s ALA 148 Ca -0.02 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1sny s ALA 148 Cb -0.05 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1sny s ALA 148 CO -0.03 -0.41 -0.17 0.42 0.00 0.00 0.00 175.76 175.57 1sny s ILE 149 N -1.58 2.30 -0.27 0.00 1.01 -1.26 -1.31 121.20 120.09 1sny s ILE 149 Ca -0.04 -0.89 -0.05 0.00 0.00 0.00 0.00 60.65 59.66 1sny s ILE 149 Cb -0.00 -2.00 0.01 0.00 0.01 0.00 0.00 42.46 40.47 1sny s ILE 149 CO 0.02 0.49 0.03 -0.63 0.00 0.00 0.00 174.94 174.86 1sny s ILE 150 N 1.32 3.69 0.00 2.92 -1.09 0.19 -1.97 121.20 126.26 1sny s ILE 150 Ca 0.05 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 57.77 1sny s ILE 150 Cb -0.14 -2.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 1sny s ILE 150 CO -0.11 0.17 0.00 0.59 -1.23 0.00 0.00 174.94 174.36 1sny n ASN 151 N 4.82 0.00 0.00 3.58 3.02 0.01 -1.43 115.26 125.27 1sny n ASN 151 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1sny n ASN 151 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1sny n ASN 151 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1sny n SER 153 N 0.00 0.00 -3.59 6.41 2.88 0.18 -1.10 113.62 118.40 1sny n SER 153 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1sny n SER 153 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1sny n SER 153 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1sny s SER 154 N -4.00 -0.55 0.57 -3.46 0.15 -1.26 -4.53 113.70 100.62 1sny s SER 154 Ca 0.00 0.63 0.33 0.00 0.70 0.00 0.00 55.95 57.61 1sny s SER 154 Cb 0.00 0.57 1.70 0.00 -1.71 0.00 0.00 66.02 66.58 1sny s SER 154 CO 0.00 -0.53 2.14 -0.29 1.20 0.00 0.00 173.24 175.76 1sny h ILE 155 N 3.33 0.30 0.00 6.45 6.09 -1.95 0.16 117.51 131.89 1sny h ILE 155 Ca -0.28 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 62.85 1sny h ILE 155 Cb 1.15 1.27 0.00 0.00 0.47 0.00 0.00 36.82 39.72 1sny h ILE 155 CO 0.36 0.06 0.00 0.18 -3.07 0.00 0.00 178.15 175.68 1sny n LEU 156 N -3.40 0.47 -0.15 2.19 4.77 -1.26 -0.47 117.00 119.15 1sny n LEU 156 Ca -0.02 0.63 0.14 0.00 -0.03 0.00 0.00 56.01 56.73 1sny n LEU 156 Cb 0.20 -0.58 0.54 0.00 -2.33 0.00 0.00 43.42 41.26 1sny n LEU 156 CO 0.27 -0.52 0.81 0.61 -1.33 0.00 0.00 177.39 177.23 1sny n GLY 157 N -0.18 -0.85 3.57 -0.72 0.00 0.56 -4.67 105.19 102.89 1sny n GLY 157 Ca 0.02 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1sny n GLY 157 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sny s SER 158 N -2.48 6.40 0.10 1.61 0.15 0.39 -4.24 113.70 115.62 1sny s SER 158 Ca 0.27 -0.01 -0.17 0.00 0.70 0.00 0.00 55.95 56.74 1sny s SER 158 Cb 0.20 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.91 1sny s SER 158 CO 0.49 -1.50 1.56 0.40 1.20 0.00 0.00 173.24 175.39 1sny h ILE 159 N 6.13 1.24 -0.70 6.45 2.04 -1.78 -2.04 117.51 128.85 1sny h ILE 159 Ca -0.25 -0.85 0.08 0.00 1.00 0.00 0.00 64.86 64.83 1sny h ILE 159 Cb 1.06 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 1sny h ILE 159 CO 1.19 0.28 0.46 -0.61 0.00 0.00 0.00 178.15 179.47 1sny h GLN 160 N 0.32 0.64 -0.03 2.37 4.15 -1.71 -1.98 115.11 118.88 1sny h GLN 160 Ca 0.09 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1sny h GLN 160 Cb 0.37 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1sny h GLN 160 CO 0.01 0.42 0.00 0.41 -1.93 0.00 0.00 178.83 177.74 1sny n GLY 161 N -1.46 0.06 3.56 2.39 0.00 -1.02 -4.83 105.19 103.89 1sny n GLY 161 Ca 0.11 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1sny n GLY 161 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sny s ASN 162 N -1.97 6.15 0.00 1.61 2.47 -0.74 -4.76 114.94 117.70 1sny s ASN 162 Ca 0.37 -0.07 0.02 0.00 0.42 0.00 0.00 52.86 53.60 1sny s ASN 162 Cb 0.21 -2.55 0.02 0.00 -1.45 0.00 0.00 41.25 37.47 1sny s ASN 162 CO 0.33 -1.76 0.65 0.35 -3.72 0.00 0.00 177.10 172.94 1sny n THR 163 N 6.63 0.19 0.27 -5.21 -2.24 -1.26 -4.66 114.28 108.00 1sny n THR 163 Ca 0.08 -0.60 0.06 0.00 -2.27 0.00 0.00 64.05 61.32 1sny n THR 163 Cb 0.49 0.93 -0.08 0.00 -2.10 0.00 0.00 70.33 69.57 1sny n THR 163 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1sny n ASP 164 N 0.01 1.40 0.00 3.42 9.92 -1.26 -5.11 116.55 124.93 1sny n ASP 164 Ca 0.01 -0.37 0.00 0.00 -0.53 0.00 0.00 54.79 53.90 1sny n ASP 164 Cb 0.09 1.31 0.00 0.00 -0.64 0.00 0.00 41.12 41.88 1sny n ASP 164 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sny n GLY 165 N 1.55 -0.08 2.00 0.44 0.00 -1.26 -5.22 105.19 102.62 1sny n GLY 165 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1sny n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sny n GLY 166 N 0.00 -4.39 2.00 -0.02 0.00 -1.26 -5.12 105.19 96.40 1sny n GLY 166 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1sny n GLY 166 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sny n TYR 168 N 1.72 -0.81 0.01 1.61 4.02 -1.26 -4.83 117.16 117.62 1sny n TYR 168 Ca 0.00 0.14 -0.11 0.00 -0.01 0.00 0.00 57.90 57.92 1sny n TYR 168 Cb 0.00 0.57 -0.05 0.00 -0.02 0.00 0.00 39.34 39.84 1sny n TYR 168 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sny h ALA 169 N 0.00 0.07 0.23 -0.72 0.00 -1.92 -1.53 119.26 115.40 1sny h ALA 169 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1sny h ALA 169 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1sny h ALA 169 CO 0.00 -0.46 -0.11 -0.92 0.00 0.00 0.00 179.25 177.76 1sny h TYR 170 N 0.04 -0.29 -0.23 0.00 3.20 -1.93 -2.26 116.97 115.50 1sny h TYR 170 Ca 0.04 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1sny h TYR 170 Cb 0.04 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1sny h TYR 170 CO -0.12 -0.03 0.12 0.00 -1.64 0.00 0.00 178.16 176.49 1sny h ARG 171 N -0.51 0.25 -0.85 1.82 3.08 -1.82 -1.65 114.38 114.70 1sny h ARG 171 Ca -0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1sny h ARG 171 Cb 0.38 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1sny h ARG 171 CO 0.05 0.17 0.54 1.79 -1.07 0.00 0.00 179.97 181.45 1sny h THR 172 N 0.26 1.23 -0.23 2.04 1.35 -1.30 -0.36 112.91 115.90 1sny h THR 172 Ca 0.09 -0.46 -0.13 0.00 -0.55 0.00 0.00 66.41 65.36 1sny h THR 172 Cb 0.01 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.42 1sny h THR 172 CO -0.05 0.23 -0.39 0.77 -0.25 0.00 0.00 175.52 175.83 1sny h SER 173 N 1.17 0.55 0.66 5.36 4.64 -1.00 -0.56 113.55 124.37 1sny h SER 173 Ca 0.31 -0.24 -0.27 0.00 -0.47 0.00 0.00 61.79 61.13 1sny h SER 173 Cb -0.09 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1sny h SER 173 CO -0.06 0.88 -1.20 0.11 -0.87 0.00 0.00 176.83 175.69 1sny h LYS 174 N 0.44 0.25 -0.17 4.77 1.79 -0.99 -0.84 116.57 121.80 1sny h LYS 174 Ca 0.04 -0.41 -0.11 0.00 -2.18 0.00 0.00 60.65 57.99 1sny h LYS 174 Cb 0.87 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.66 1sny h LYS 174 CO 0.07 1.19 -0.37 0.77 -1.08 0.00 0.00 179.45 180.04 1sny h SER 175 N 0.07 0.39 -0.46 0.86 0.02 -1.05 -0.98 113.55 112.39 1sny h SER 175 Ca -0.12 -0.16 -0.13 0.00 -0.84 0.00 0.00 61.79 60.54 1sny h SER 175 Cb 1.93 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 64.35 1sny h SER 175 CO 0.19 0.73 -0.24 0.00 -1.14 0.00 0.00 176.83 176.38 1sny h ALA 176 N 1.29 0.65 -0.83 3.77 0.00 -1.03 -2.28 119.26 120.84 1sny h ALA 176 Ca 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1sny h ALA 176 Cb 0.80 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1sny h ALA 176 CO 0.06 0.66 0.50 1.25 0.00 0.00 0.00 179.25 181.72 1sny h LEU 177 N 0.83 1.00 -0.57 0.00 5.85 -0.82 -1.85 115.31 119.75 1sny h LEU 177 Ca 0.10 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1sny h LEU 177 Cb 0.82 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1sny h LEU 177 CO 0.07 0.78 0.38 0.78 -0.34 0.00 0.00 178.44 180.10 1sny h ASN 178 N 1.14 0.66 -0.41 1.25 2.35 -0.95 0.73 115.58 120.35 1sny h ASN 178 Ca 0.30 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 56.01 1sny h ASN 178 Cb -0.04 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 1sny h ASN 178 CO -0.06 0.48 0.20 0.00 -1.65 0.00 0.00 177.43 176.41 1sny h ALA 179 N 1.21 1.51 -0.46 -0.83 0.00 -1.01 -1.16 119.26 118.51 1sny h ALA 179 Ca 0.21 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1sny h ALA 179 Cb -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1sny h ALA 179 CO -0.04 0.39 -0.25 0.00 0.00 0.00 0.00 179.25 179.34 1sny h ALA 180 N 1.59 0.67 -0.61 0.00 0.00 -0.50 -2.01 119.26 118.40 1sny h ALA 180 Ca 0.16 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1sny h ALA 180 Cb 0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1sny h ALA 180 CO -0.02 0.68 0.37 1.15 0.00 0.00 0.00 179.25 181.43 1sny h THR 181 N 0.84 1.06 -0.14 0.00 2.02 0.11 0.11 112.91 116.91 1sny h THR 181 Ca 0.10 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1sny h THR 181 Cb 0.83 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1sny h THR 181 CO 0.07 0.13 0.04 0.50 0.37 0.00 0.00 175.52 176.63 1sny h LYS 182 N 0.73 0.23 -0.78 6.66 1.63 -1.10 -1.49 116.57 122.44 1sny h LYS 182 Ca 0.25 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.97 1sny h LYS 182 Cb 0.04 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 1sny h LYS 182 CO -0.11 0.38 0.38 0.77 -3.45 0.00 0.00 179.45 177.42 1sny h SER 183 N 0.03 1.02 -0.91 4.20 0.02 -1.09 -2.24 113.55 114.59 1sny h SER 183 Ca 0.04 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1sny h SER 183 Cb 0.25 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 1sny h SER 183 CO 0.00 0.86 0.54 -0.07 -1.14 0.00 0.00 176.83 177.03 1sny h LEU 184 N 1.10 1.10 -1.03 5.07 3.38 -0.64 -0.70 115.31 123.58 1sny h LEU 184 Ca 0.27 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.19 1sny h LEU 184 Cb 0.11 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1sny h LEU 184 CO -0.03 0.85 0.65 0.77 0.09 0.00 0.00 178.44 180.77 1sny h SER 185 N 1.26 1.12 -0.02 -0.43 4.64 -0.67 0.30 113.55 119.76 1sny h SER 185 Ca 0.33 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 1sny h SER 185 Cb -0.05 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.77 1sny h SER 185 CO -0.06 0.81 -0.05 0.58 -0.87 0.00 0.00 176.83 177.24 1sny h VAL 186 N 1.32 1.48 -0.05 0.95 2.07 -1.13 -2.78 116.25 118.13 1sny h VAL 186 Ca 0.37 -1.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 1sny h VAL 186 Cb -0.13 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1sny h VAL 186 CO -0.09 0.39 -0.21 0.44 0.02 0.00 0.00 177.57 178.12 1sny h ASP 187 N -0.54 0.08 0.00 0.57 3.32 -0.95 -2.97 116.42 115.93 1sny h ASP 187 Ca -0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1sny h ASP 187 Cb 0.67 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1sny h ASP 187 CO 0.01 0.30 -0.16 0.18 -1.72 0.00 0.00 179.24 177.85 1sny n LEU 188 N -4.25 2.30 -0.33 1.55 4.77 0.08 -4.45 117.00 116.67 1sny n LEU 188 Ca -0.02 -0.78 0.11 0.00 -0.03 0.00 0.00 56.01 55.29 1sny n LEU 188 Cb 0.29 -0.01 0.31 0.00 -2.33 0.00 0.00 43.42 41.69 1sny n LEU 188 CO 0.38 0.40 1.22 0.22 -1.33 0.00 0.00 177.39 178.27 1sny h TYR 189 N 3.37 1.01 -0.81 -1.77 3.20 -1.32 -2.00 116.97 118.65 1sny h TYR 189 Ca 0.00 0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.04 1sny h TYR 189 Cb 0.80 -0.31 -0.09 0.00 1.54 0.00 0.00 36.73 38.67 1sny h TYR 189 CO 0.00 0.33 0.39 -1.35 -1.64 0.00 0.00 178.16 175.90 1sny h PRO 190 N 0.82 0.56 -0.12 1.82 0.11 -1.80 0.31 132.00 133.69 1sny h PRO 190 Ca 0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1sny h PRO 190 Cb 0.71 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1sny h PRO 190 CO -0.28 0.37 0.00 1.04 -0.21 0.00 0.00 178.00 178.92 1sny n GLN 191 N -4.90 1.67 -3.59 1.05 3.00 -0.80 -4.94 117.38 108.86 1sny n GLN 191 Ca 0.15 -1.00 -0.22 0.00 -0.01 0.00 0.00 57.00 55.92 1sny n GLN 191 Cb 0.41 -1.41 0.07 0.00 0.00 0.00 0.00 30.24 29.31 1sny n GLN 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1sny n ARG 192 N 0.22 -6.92 -0.64 -1.09 5.12 0.11 -4.78 116.66 108.68 1sny n ARG 192 Ca 0.17 0.78 0.00 0.00 -1.93 0.00 0.00 57.85 56.87 1sny n ARG 192 Cb 0.32 -5.76 0.00 0.00 -1.16 0.00 0.00 32.46 25.86 1sny n ARG 192 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1sny n ILE 193 N -4.61 0.00 0.00 0.55 5.41 -1.05 -4.67 119.36 115.00 1sny n ILE 193 Ca -0.12 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.63 1sny n ILE 193 Cb 0.60 -1.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 1sny n ILE 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sny s VAL 196 N 0.00 0.09 -0.10 0.00 -7.23 -0.83 -0.01 120.40 112.31 1sny s VAL 196 Ca 0.00 -0.75 -0.08 0.00 -1.81 0.00 0.00 61.98 59.34 1sny s VAL 196 Cb 0.00 -0.39 -0.04 0.00 0.56 0.00 0.00 36.38 36.51 1sny s VAL 196 CO 0.00 -0.41 0.19 -0.44 -0.31 0.00 0.00 175.10 174.13 1sny s SER 197 N -1.41 6.46 -0.04 4.85 0.01 -0.36 -0.81 113.70 122.41 1sny s SER 197 Ca -0.15 0.56 0.01 0.00 1.31 0.00 0.00 55.95 57.68 1sny s SER 197 Cb -0.08 -2.10 0.02 0.00 0.21 0.00 0.00 66.02 64.06 1sny s SER 197 CO 0.01 0.39 -0.04 -0.22 0.41 0.00 0.00 173.24 173.79 1sny s LEU 198 N -1.00 1.40 -0.25 2.44 0.20 -0.26 -1.44 118.68 119.77 1sny s LEU 198 Ca 0.16 -0.11 -0.14 0.00 0.69 0.00 0.00 54.13 54.73 1sny s LEU 198 Cb -0.13 -0.39 -0.04 0.00 -0.43 0.00 0.00 46.19 45.20 1sny s LEU 198 CO 0.06 -0.04 0.35 -2.28 -0.29 0.00 0.00 176.35 174.14 1sny s HIS 199 N 0.78 3.29 -2.00 5.38 5.65 -0.41 -0.64 115.29 127.33 1sny s HIS 199 Ca -0.10 0.44 0.09 0.00 0.25 0.00 0.00 55.06 55.74 1sny s HIS 199 Cb -0.13 -2.51 0.53 0.00 -1.18 0.00 0.00 32.58 29.29 1sny s HIS 199 CO -0.00 -0.12 1.30 -0.35 -0.65 0.00 0.00 174.74 174.92 1sny n PRO 200 N 4.93 0.95 0.00 2.88 -0.04 -1.26 -0.66 135.00 141.80 1sny n PRO 200 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1sny n PRO 200 Cb 0.51 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1sny n PRO 200 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sny n GLY 201 N 0.59 -1.30 3.54 0.55 0.00 -1.26 -4.66 105.19 102.65 1sny n GLY 201 Ca 0.07 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 1sny n GLY 201 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1sny s TRP 202 N -1.21 2.91 0.05 1.61 -0.00 -1.26 -5.02 118.94 116.02 1sny s TRP 202 Ca 0.00 0.17 0.05 0.00 -0.00 0.00 0.00 56.10 56.32 1sny s TRP 202 Cb 0.00 -3.89 -0.04 0.00 -0.00 0.00 0.00 33.47 29.54 1sny s TRP 202 CO 0.00 -1.13 -0.06 0.08 -0.00 0.00 0.00 176.95 175.84 1sny s VAL 203 N 3.63 3.69 -1.29 5.86 1.01 -1.26 -2.24 120.40 129.80 1sny s VAL 203 Ca 0.32 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 1sny s VAL 203 Cb -0.12 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.59 1sny s VAL 203 CO 0.23 0.25 2.04 0.29 0.00 0.00 0.00 175.10 177.91 1sny n LYS 204 N 1.08 2.63 -3.33 2.72 5.02 0.09 -3.71 118.16 122.65 1sny n LYS 204 Ca -0.14 -2.64 -0.18 0.00 -2.02 0.00 0.00 58.31 53.33 1sny n LYS 204 Cb 0.52 -3.31 -0.02 0.00 -0.02 0.00 0.00 35.03 32.20 1sny n LYS 204 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sny n THR 205 N 5.76 0.00 0.00 -0.18 -2.24 -1.26 -4.74 114.28 111.62 1sny n THR 205 Ca 0.50 -1.42 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1sny n THR 205 Cb 0.42 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1sny n THR 205 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1sny n ASP 206 N -1.50 0.00 0.00 3.42 8.00 -1.26 0.10 116.55 125.31 1sny n ASP 206 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1sny n ASP 206 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1sny n ASP 206 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sny n GLY 208 N 0.32 0.00 0.00 0.44 0.00 -1.24 -5.00 105.19 99.70 1sny n GLY 208 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sny n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sny n GLY 209 N 0.00 -1.43 0.04 -0.02 0.00 0.12 -4.33 105.19 99.56 1sny n GLY 209 Ca 0.00 -1.58 0.09 0.00 0.00 0.00 0.00 46.02 44.53 1sny n GLY 209 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sny n SER 210 N -1.90 0.20 -0.02 1.61 3.41 -1.26 -2.83 113.62 112.83 1sny n SER 210 Ca 0.00 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 1sny n SER 210 Cb 0.00 -0.59 0.52 0.00 -0.26 0.00 0.00 64.21 63.88 1sny n SER 210 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1sny n SER 211 N -1.72 0.23 -4.77 4.04 7.64 -1.26 -4.90 113.62 112.88 1sny n SER 211 Ca 0.03 0.06 -0.40 0.00 1.01 0.00 0.00 58.87 59.58 1sny n SER 211 Cb 0.21 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1sny n SER 211 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sny s ALA 212 N -2.89 3.36 -0.24 -0.43 0.00 -1.13 -4.93 121.76 115.50 1sny s ALA 212 Ca 0.16 1.41 0.22 0.00 0.00 0.00 0.00 51.96 53.75 1sny s ALA 212 Cb 0.19 -3.55 0.42 0.00 0.00 0.00 0.00 23.12 20.17 1sny s ALA 212 CO 0.57 -1.00 1.62 -1.00 0.00 0.00 0.00 175.76 175.95 1sny h PRO 213 N 2.71 0.00 -6.18 0.00 0.13 -1.90 -3.43 132.00 123.33 1sny h PRO 213 Ca -0.50 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.98 1sny h PRO 213 Cb 1.25 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.28 1sny h PRO 213 CO 0.63 0.18 -0.62 -0.51 -0.23 0.00 0.00 178.00 177.45 1sny s LEU 214 N -6.35 3.71 0.50 1.56 1.43 -0.95 -5.02 118.68 113.56 1sny s LEU 214 Ca 0.05 -0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.21 1sny s LEU 214 Cb 0.07 -2.33 0.05 0.00 0.03 0.00 0.00 46.19 44.00 1sny s LEU 214 CO 0.68 0.20 0.68 1.51 0.23 0.00 0.00 176.35 179.65 1sny s ASP 215 N -2.15 5.38 0.06 2.29 1.47 -1.26 -0.74 116.67 121.72 1sny s ASP 215 Ca 0.26 -0.58 -0.27 0.00 1.18 0.00 0.00 52.55 53.13 1sny s ASP 215 Cb -0.12 -0.25 -0.17 0.00 -0.34 0.00 0.00 42.92 42.04 1sny s ASP 215 CO 0.18 -1.05 1.55 0.58 0.68 0.00 0.00 175.17 177.12 1sny h VAL 216 N 0.40 0.68 -0.93 2.11 2.07 -1.96 -2.59 116.25 116.03 1sny h VAL 216 Ca -0.36 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.01 1sny h VAL 216 Cb 1.28 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 1sny h VAL 216 CO 0.43 0.04 0.61 -0.65 0.02 0.00 0.00 177.57 178.02 1sny h PRO 217 N -0.56 1.14 -0.20 1.57 0.11 -1.97 0.14 132.00 132.24 1sny h PRO 217 Ca -0.05 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1sny h PRO 217 Cb 0.41 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1sny h PRO 217 CO 0.08 0.76 0.08 1.15 -0.21 0.00 0.00 178.00 179.85 1sny h THR 218 N 1.18 1.17 0.63 -1.15 2.02 -1.96 0.15 112.91 114.94 1sny h THR 218 Ca 0.37 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1sny h THR 218 Cb 0.00 1.13 0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1sny h THR 218 CO -0.11 0.16 -0.30 -1.28 0.37 0.00 0.00 175.52 174.36 1sny h SER 219 N 0.16 -0.71 -0.51 4.18 0.87 -1.18 -2.77 113.55 113.59 1sny h SER 219 Ca 0.07 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.71 1sny h SER 219 Cb 0.18 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 1sny h SER 219 CO -0.00 -0.32 0.34 0.71 -0.53 0.00 0.00 176.83 177.02 1sny h THR 220 N -1.22 0.98 -0.05 2.23 1.35 -1.04 0.21 112.91 115.36 1sny h THR 220 Ca -0.09 -0.15 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1sny h THR 220 Cb 0.65 0.49 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1sny h THR 220 CO 0.14 0.08 0.02 1.23 -0.25 0.00 0.00 175.52 176.75 1sny h GLY 221 N 0.45 0.07 1.58 5.82 0.00 -0.73 -0.46 103.07 109.80 1sny h GLY 221 Ca 0.22 -0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.40 1sny h GLY 221 CO -0.06 0.03 -0.36 1.46 0.00 0.00 0.00 176.54 177.61 1sny h GLN 222 N -0.04 0.47 0.52 4.80 4.20 -1.06 -2.50 115.11 121.50 1sny h GLN 222 Ca 0.02 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 1sny h GLN 222 Cb 0.11 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.89 1sny h GLN 222 CO -0.00 0.77 -0.25 0.82 -0.67 0.00 0.00 178.83 179.50 1sny h ILE 223 N 0.40 0.49 -0.90 2.54 2.04 -0.30 0.83 117.51 122.62 1sny h ILE 223 Ca 0.04 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 66.02 1sny h ILE 223 Cb 0.82 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.33 1sny h ILE 223 CO 0.07 0.00 0.58 0.58 0.00 0.00 0.00 178.15 179.38 1sny h VAL 224 N -0.70 0.89 -0.17 1.67 2.07 -1.08 0.20 116.25 119.12 1sny h VAL 224 Ca -0.07 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 1sny h VAL 224 Cb 0.53 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1sny h VAL 224 CO 0.12 0.14 -0.18 -0.61 0.02 0.00 0.00 177.57 177.06 1sny h GLN 225 N 0.79 0.43 -0.14 1.57 5.75 -0.95 -2.55 115.11 120.00 1sny h GLN 225 Ca 0.44 -0.23 -0.00 0.00 -0.15 0.00 0.00 58.65 58.70 1sny h GLN 225 Cb 0.59 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 1sny h GLN 225 CO -0.20 0.80 0.07 1.15 -2.65 0.00 0.00 178.83 178.00 1sny h THR 226 N 0.08 1.12 0.00 2.39 2.02 0.21 -2.16 112.91 116.57 1sny h THR 226 Ca 0.03 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 1sny h THR 226 Cb 0.73 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1sny h THR 226 CO 0.05 0.11 -0.12 0.16 0.37 0.00 0.00 175.52 176.08 1sny h ILE 227 N 0.10 0.78 0.00 3.11 3.07 -0.75 -0.05 117.51 123.78 1sny h ILE 227 Ca 0.05 -0.48 0.00 0.00 1.55 0.00 0.00 64.86 65.98 1sny h ILE 227 Cb 0.11 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 37.94 1sny h ILE 227 CO -0.01 0.12 0.00 -1.28 -1.05 0.00 0.00 178.15 175.93 1sny h SER 228 N 0.00 0.00 -0.01 2.16 0.87 -0.96 -3.03 113.55 112.58 1sny h SER 228 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1sny h SER 228 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1sny h SER 228 CO 0.02 0.00 -0.22 0.29 -0.53 0.00 0.00 176.83 176.38 1sny n LYS 229 N -2.60 1.78 -2.21 2.24 4.01 -0.11 -4.88 118.16 116.40 1sny n LYS 229 Ca 0.02 -0.76 -0.41 0.00 -0.51 0.00 0.00 58.31 56.66 1sny n LYS 229 Cb 0.31 -1.17 -0.03 0.00 -0.51 0.00 0.00 35.03 33.64 1sny n LYS 229 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1sny s LEU 230 N -1.69 4.43 0.00 -0.35 1.43 -0.72 -5.02 118.68 116.77 1sny s LEU 230 Ca 0.11 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 1sny s LEU 230 Cb 0.10 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.70 1sny s LEU 230 CO 0.29 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.99 1sny n GLY 231 N 1.75 4.07 0.39 -3.19 0.00 -1.26 -4.40 105.19 102.54 1sny n GLY 231 Ca 0.03 -1.83 0.19 0.00 0.00 0.00 0.00 46.02 44.42 1sny n GLY 231 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sny h GLU 232 N 0.00 0.16 -0.01 1.61 4.81 -1.96 -1.20 114.58 118.00 1sny h GLU 232 Ca -0.00 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1sny h GLU 232 Cb 0.02 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1sny h GLU 232 CO 0.01 0.11 -0.26 0.87 -0.73 0.00 0.00 179.01 179.00 1sny h LYS 233 N 0.16 0.02 -0.36 1.92 1.57 -2.00 -2.35 116.57 115.54 1sny h LYS 233 Ca 0.31 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1sny h LYS 233 Cb 0.99 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1sny h LYS 233 CO -0.05 0.28 0.00 1.04 -0.57 0.00 0.00 179.45 180.15 1sny n GLN 234 N -4.23 2.26 -1.75 3.15 3.00 -0.46 -4.97 117.38 114.39 1sny n GLN 234 Ca -0.02 -1.91 -0.42 0.00 -0.01 0.00 0.00 57.00 54.64 1sny n GLN 234 Cb 0.31 -1.47 -0.03 0.00 0.00 0.00 0.00 30.24 29.06 1sny n GLN 234 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1sny s ASN 235 N -1.42 6.39 -0.12 1.08 2.47 -0.89 -1.76 114.94 120.69 1sny s ASN 235 Ca 0.37 2.85 0.00 0.00 0.42 0.00 0.00 52.86 56.50 1sny s ASN 235 Cb 0.21 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 1sny s ASN 235 CO 0.29 -0.96 0.00 0.61 -3.72 0.00 0.00 177.10 173.32 1sny n GLY 236 N 3.87 0.49 4.02 1.21 0.00 0.98 -4.98 105.19 110.78 1sny n GLY 236 Ca 0.15 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 1sny n GLY 236 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sny s GLY 237 N -2.31 1.86 -0.25 -0.02 0.00 -0.72 -4.56 107.32 101.31 1sny s GLY 237 Ca 0.00 -1.81 -0.00 0.00 0.00 0.00 0.00 44.72 42.90 1sny s GLY 237 CO 0.00 -1.52 -0.08 -0.12 0.00 0.00 0.00 173.10 171.38 1sny s PHE 238 N -2.51 3.11 0.13 1.90 5.36 -1.26 -1.22 117.98 123.49 1sny s PHE 238 Ca 0.58 -1.79 0.09 0.00 -0.96 0.00 0.00 56.93 54.85 1sny s PHE 238 Cb -0.08 -2.02 -0.04 0.00 -0.34 0.00 0.00 43.02 40.54 1sny s PHE 238 CO 0.36 -0.78 -0.20 0.14 -1.46 0.00 0.00 175.22 173.27 1sny s VAL 239 N 1.26 1.82 0.91 3.12 -7.23 -0.52 -0.00 120.40 119.76 1sny s VAL 239 Ca -0.02 -1.73 -0.13 0.00 -1.81 0.00 0.00 61.98 58.29 1sny s VAL 239 Cb -0.17 -1.72 0.14 0.00 0.56 0.00 0.00 36.38 35.18 1sny s VAL 239 CO -0.05 -0.16 1.16 0.21 -0.31 0.00 0.00 175.10 175.95 1sny s ASN 240 N -2.26 3.51 0.54 4.85 2.47 0.78 -1.29 114.94 123.55 1sny s ASN 240 Ca 0.11 0.85 0.36 0.00 0.42 0.00 0.00 52.86 54.60 1sny s ASN 240 Cb -0.08 -1.34 1.82 0.00 -1.45 0.00 0.00 41.25 40.20 1sny s ASN 240 CO 0.06 -2.54 2.09 0.10 -3.72 0.00 0.00 177.10 173.09 1sny h TYR 241 N -1.49 0.00 -0.57 0.43 -0.00 -1.19 -0.74 116.97 113.41 1sny h TYR 241 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.24 1sny h TYR 241 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.05 1sny h TYR 241 CO 0.03 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 177.79 1sny n ASP 242 N -2.85 3.73 0.00 0.10 3.85 -1.26 -3.93 116.55 116.18 1sny n ASP 242 Ca -0.01 -2.12 0.00 0.00 -0.71 0.00 0.00 54.79 51.95 1sny n ASP 242 Cb 0.13 -0.42 0.00 0.00 -1.35 0.00 0.00 41.12 39.49 1sny n ASP 242 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1sny n GLY 243 N 1.08 1.02 3.73 6.12 0.00 -0.28 -5.00 105.19 111.86 1sny n GLY 243 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1sny n GLY 243 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sny s THR 244 N -2.52 2.80 0.27 2.61 2.01 -1.26 -4.55 115.64 115.00 1sny s THR 244 Ca 0.00 0.62 -0.30 0.00 0.31 0.00 0.00 61.69 62.32 1sny s THR 244 Cb 0.00 -3.40 -0.11 0.00 0.01 0.00 0.00 72.50 69.00 1sny s THR 244 CO 0.00 0.07 1.57 -2.84 -0.69 0.00 0.00 174.62 172.73 1sny s PRO 245 N 0.38 4.16 0.24 4.92 0.02 -1.26 -0.15 135.00 143.30 1sny s PRO 245 Ca 0.63 2.51 0.10 0.00 0.02 0.00 0.00 61.00 64.26 1sny s PRO 245 Cb -0.41 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.01 1sny s PRO 245 CO 0.37 -0.59 -0.10 -0.51 -0.33 0.00 0.00 177.00 175.84 1sny s LEU 246 N -0.28 2.92 0.15 -5.54 1.43 1.00 -4.85 118.68 113.50 1sny s LEU 246 Ca 0.63 -0.73 -0.24 0.00 -1.03 0.00 0.00 54.13 52.76 1sny s LEU 246 Cb -0.46 -1.51 -0.08 0.00 0.03 0.00 0.00 46.19 44.17 1sny s LEU 246 CO 0.45 0.05 0.75 0.00 0.23 0.00 0.00 176.35 177.83 1sny s ALA 247 N -2.13 3.46 -2.00 4.21 0.00 -1.26 -4.60 121.76 119.45 1sny s ALA 247 Ca 0.28 0.31 0.13 0.00 0.00 0.00 0.00 51.96 52.69 1sny s ALA 247 Cb -0.07 -2.92 0.77 0.00 0.00 0.00 0.00 23.12 20.91 1sny s ALA 247 CO 0.16 0.30 1.20 0.91 0.00 0.00 0.00 175.76 178.33