#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jy0 n PHE 1 N 0.00 0.88 -2.77 -1.40 7.35 -1.26 -5.02 117.46 115.24 1jy0 n PHE 1 Ca 0.00 -1.58 -0.42 0.00 -0.76 0.00 0.00 57.45 54.69 1jy0 n PHE 1 Cb 0.00 -0.25 -0.03 0.00 0.35 0.00 0.00 39.48 39.55 1jy0 n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1jy0 s ASN 2 N -3.17 7.00 0.09 -2.13 0.01 -1.26 -5.02 114.94 110.46 1jy0 s ASN 2 Ca 0.39 1.25 0.03 0.00 -0.71 0.00 0.00 52.86 53.82 1jy0 s ASN 2 Cb 0.38 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.50 1jy0 s ASN 2 CO -0.06 -0.56 0.13 -0.76 -1.51 0.00 0.00 177.10 174.34 1jy0 s LEU 3 N 2.84 3.97 0.58 0.60 1.43 -1.26 -0.79 118.68 126.05 1jy0 s LEU 3 Ca 0.40 0.05 -0.16 0.00 -1.03 0.00 0.00 54.13 53.40 1jy0 s LEU 3 Cb -0.16 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 1jy0 s LEU 3 CO 0.08 0.15 1.04 -2.16 0.23 0.00 0.00 176.35 175.69 1jy0 s PRO 4 N -2.57 3.48 0.37 1.29 0.05 -1.26 -4.57 135.00 131.79 1jy0 s PRO 4 Ca 0.31 1.12 0.18 0.00 0.05 0.00 0.00 61.00 62.67 1jy0 s PRO 4 Cb -0.12 -2.06 0.67 0.00 0.05 0.00 0.00 34.50 33.04 1jy0 s PRO 4 CO 0.24 -0.67 1.73 -1.00 0.05 0.00 0.00 177.00 177.35 1jy0 h PRO 5 N 0.52 0.00 -7.17 0.56 0.13 -1.97 -3.47 132.00 120.59 1jy0 h PRO 5 Ca -0.47 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.25 1jy0 h PRO 5 Cb 1.21 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.54 1jy0 h PRO 5 CO 0.59 0.38 0.01 0.20 -0.23 0.00 0.00 178.00 178.94 1jy0 s GLY 6 N -4.36 1.50 0.42 1.56 0.00 -1.26 -5.09 107.32 100.10 1jy0 s GLY 6 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 44.72 44.23 1jy0 s GLY 6 CO 0.69 0.30 0.15 0.54 0.00 0.00 0.00 173.10 174.78 1jy0 s ASN 7 N -3.06 2.88 -0.06 1.64 2.20 -1.26 -5.08 114.94 112.20 1jy0 s ASN 7 Ca 0.68 -1.74 0.14 0.00 -0.94 0.00 0.00 52.86 51.00 1jy0 s ASN 7 Cb -0.18 0.61 0.42 0.00 -2.00 0.00 0.00 41.25 40.10 1jy0 s ASN 7 CO 0.60 -1.00 1.35 -1.22 -2.94 0.00 0.00 177.10 173.89 1jy0 n TYR 8 N -0.95 0.72 -0.32 1.54 4.01 -1.26 -4.67 117.16 116.23 1jy0 n TYR 8 Ca -0.06 -0.62 0.16 0.00 -0.16 0.00 0.00 57.90 57.22 1jy0 n TYR 8 Cb 0.64 -0.13 0.40 0.00 -0.31 0.00 0.00 39.34 39.94 1jy0 n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1jy0 h LYS 9 N 2.23 0.60 -5.44 -0.72 1.57 -1.98 -3.43 116.57 109.40 1jy0 h LYS 9 Ca 0.00 -0.04 -0.44 0.00 -1.87 0.00 0.00 60.65 58.31 1jy0 h LYS 9 Cb 1.02 -0.14 -0.14 0.00 0.08 0.00 0.00 32.23 33.05 1jy0 h LYS 9 CO 0.09 0.40 -0.71 0.15 -0.57 0.00 0.00 179.45 178.81 1jy0 s LYS 10 N -5.69 1.34 0.83 3.15 1.02 -1.26 -5.12 119.74 114.01 1jy0 s LYS 10 Ca -0.10 -1.62 -0.11 0.00 0.02 0.00 0.00 55.97 54.16 1jy0 s LYS 10 Cb 0.24 -1.02 0.09 0.00 -0.52 0.00 0.00 37.83 36.63 1jy0 s LYS 10 CO 0.80 0.11 1.09 -1.25 -0.92 0.00 0.00 175.35 175.18 1jy0 s PRO 11 N -3.70 1.75 0.30 -1.68 0.04 -1.26 -4.71 135.00 125.74 1jy0 s PRO 11 Ca 0.24 1.03 -0.10 0.00 0.04 0.00 0.00 61.00 62.20 1jy0 s PRO 11 Cb 0.01 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.71 1jy0 s PRO 11 CO 0.07 -1.96 0.53 0.15 0.04 0.00 0.00 177.00 175.84 1jy0 s LYS 12 N -4.90 1.77 -0.08 4.56 1.02 0.12 -4.43 119.74 117.80 1jy0 s LYS 12 Ca 0.62 -1.43 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1jy0 s LYS 12 Cb -0.18 0.49 -0.03 0.00 -0.52 0.00 0.00 37.83 37.59 1jy0 s LYS 12 CO 0.57 -0.76 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.66 1jy0 s LEU 13 N -3.09 3.17 -0.47 3.17 1.43 0.13 -0.95 118.68 122.07 1jy0 s LEU 13 Ca 0.24 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 1jy0 s LEU 13 Cb -0.01 -1.70 0.10 0.00 0.03 0.00 0.00 46.19 44.61 1jy0 s LEU 13 CO 0.13 0.33 0.36 -0.76 0.23 0.00 0.00 176.35 176.64 1jy0 s LEU 14 N -0.63 5.63 -0.23 1.79 1.43 -1.26 0.44 118.68 125.84 1jy0 s LEU 14 Ca 0.10 -1.69 -0.18 0.00 -1.03 0.00 0.00 54.13 51.33 1jy0 s LEU 14 Cb -0.12 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1jy0 s LEU 14 CO 0.02 -0.67 0.49 -0.47 0.23 0.00 0.00 176.35 175.94 1jy0 s TYR 15 N 1.46 3.32 -0.23 0.29 5.04 -0.22 -1.01 117.35 125.99 1jy0 s TYR 15 Ca 0.04 0.66 -0.18 0.00 -2.44 0.00 0.00 57.07 55.16 1jy0 s TYR 15 Cb -0.26 -2.67 -0.03 0.00 0.35 0.00 0.00 41.96 39.36 1jy0 s TYR 15 CO 0.02 -0.18 0.51 0.00 -1.34 0.00 0.00 175.55 174.56 1jy0 h SER 17 N 7.72 0.07 -0.60 0.00 4.64 -1.68 0.10 113.55 123.79 1jy0 h SER 17 Ca -0.31 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.05 1jy0 h SER 17 Cb 1.15 -0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 63.13 1jy0 h SER 17 CO 0.73 0.29 -0.51 -1.13 -0.87 0.00 0.00 176.83 175.33 1jy0 h ASN 18 N 0.07 -1.79 0.00 4.97 -1.24 -1.78 -3.23 115.58 112.58 1jy0 h ASN 18 Ca 0.01 0.25 0.00 0.00 0.71 0.00 0.00 56.30 57.28 1jy0 h ASN 18 Cb 0.41 0.76 0.00 0.00 0.73 0.00 0.00 38.32 40.22 1jy0 h ASN 18 CO 0.03 -0.29 0.00 0.61 -1.29 0.00 0.00 177.43 176.49 1jy0 n GLY 19 N -1.29 -1.08 1.62 1.57 0.00 -1.24 -4.72 105.19 100.06 1jy0 n GLY 19 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1jy0 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jy0 n GLY 20 N 0.16 0.53 3.90 -0.02 0.00 0.32 -4.99 105.19 105.10 1jy0 n GLY 20 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 1jy0 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jy0 s HIS 21 N -2.00 3.47 -0.11 1.61 3.76 -1.03 -4.72 115.29 116.26 1jy0 s HIS 21 Ca 0.00 0.59 -0.15 0.00 -0.15 0.00 0.00 55.06 55.35 1jy0 s HIS 21 Cb 0.00 -2.04 -0.05 0.00 1.11 0.00 0.00 32.58 31.61 1jy0 s HIS 21 CO 0.00 0.35 0.37 -0.06 -0.85 0.00 0.00 174.74 174.55 1jy0 s PHE 22 N -1.80 3.54 0.20 1.40 0.08 0.28 0.46 117.98 122.14 1jy0 s PHE 22 Ca 0.42 0.76 -0.32 0.00 0.12 0.00 0.00 56.93 57.92 1jy0 s PHE 22 Cb -0.12 -2.38 -0.12 0.00 -0.57 0.00 0.00 43.02 39.83 1jy0 s PHE 22 CO 0.26 0.32 1.72 -1.17 -0.10 0.00 0.00 175.22 176.24 1jy0 s LEU 23 N 0.15 4.37 -0.04 -0.37 2.96 -0.18 -1.14 118.68 124.43 1jy0 s LEU 23 Ca 0.21 2.86 0.04 0.00 -0.22 0.00 0.00 54.13 57.02 1jy0 s LEU 23 Cb -0.14 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 42.94 1jy0 s LEU 23 CO 0.08 -0.97 -0.16 -0.60 -1.32 0.00 0.00 176.35 173.38 1jy0 s ARG 24 N 1.20 1.64 -0.35 1.98 3.52 0.65 -4.44 118.95 123.14 1jy0 s ARG 24 Ca 0.75 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.79 1jy0 s ARG 24 Cb -0.49 -1.44 0.09 0.00 -1.56 0.00 0.00 34.95 31.55 1jy0 s ARG 24 CO 0.32 0.23 0.09 0.42 -0.81 0.00 0.00 175.30 175.55 1jy0 s ILE 25 N 0.03 2.75 0.64 4.11 1.01 -0.98 -0.08 121.20 128.67 1jy0 s ILE 25 Ca -0.03 -2.05 -0.15 0.00 0.00 0.00 0.00 60.65 58.42 1jy0 s ILE 25 Cb -0.11 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 1jy0 s ILE 25 CO 0.02 -0.52 1.08 -0.76 0.00 0.00 0.00 174.94 174.75 1jy0 s LEU 26 N 1.05 3.40 0.53 2.97 1.43 0.27 -4.81 118.68 123.52 1jy0 s LEU 26 Ca 0.06 1.88 0.19 0.00 -1.03 0.00 0.00 54.13 55.23 1jy0 s LEU 26 Cb -0.21 -4.54 1.32 0.00 0.03 0.00 0.00 46.19 42.80 1jy0 s LEU 26 CO -0.05 -1.42 2.12 -0.65 0.23 0.00 0.00 176.35 176.57 1jy0 h PRO 27 N 0.10 0.00 0.00 1.29 0.11 -1.98 0.13 132.00 131.65 1jy0 h PRO 27 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jy0 h PRO 27 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jy0 h PRO 27 CO 0.56 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 1jy0 n ASP 28 N -4.47 0.00 0.00 -2.05 5.75 -1.26 -4.82 116.55 109.70 1jy0 n ASP 28 Ca 0.00 -1.25 0.00 0.00 -0.01 0.00 0.00 54.79 53.53 1jy0 n ASP 28 Cb 0.21 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1jy0 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jy0 n GLY 29 N 0.60 0.78 3.76 6.12 0.00 0.47 -4.98 105.19 111.94 1jy0 n GLY 29 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1jy0 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jy0 s THR 30 N -3.06 3.54 -0.10 2.61 2.01 -1.24 -1.01 115.64 118.40 1jy0 s THR 30 Ca 0.00 1.49 0.02 0.00 0.31 0.00 0.00 61.69 63.50 1jy0 s THR 30 Cb 0.00 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 1jy0 s THR 30 CO 0.00 0.31 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.40 1jy0 s VAL 31 N -1.24 2.98 0.00 3.82 1.01 -1.26 0.95 120.40 126.66 1jy0 s VAL 31 Ca 0.46 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1jy0 s VAL 31 Cb -0.30 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1jy0 s VAL 31 CO 0.39 0.55 0.00 -0.90 0.00 0.00 0.00 175.10 175.14 1jy0 n ASP 32 N 3.07 0.00 -4.05 3.32 5.75 0.88 -4.61 116.55 120.91 1jy0 n ASP 32 Ca -0.18 -0.23 -0.14 0.00 -0.01 0.00 0.00 54.79 54.23 1jy0 n ASP 32 Cb 0.52 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.50 1jy0 n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1jy0 s GLY 33 N -0.62 0.49 0.05 6.12 0.00 -0.32 0.24 107.32 113.28 1jy0 s GLY 33 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.04 1jy0 s GLY 33 CO 0.00 -0.73 -0.08 -1.08 0.00 0.00 0.00 173.10 171.21 1jy0 s THR 34 N -1.19 0.59 -0.66 0.90 -1.32 -0.29 -4.79 115.64 108.88 1jy0 s THR 34 Ca -0.08 -1.25 0.24 0.00 -1.21 0.00 0.00 61.69 59.39 1jy0 s THR 34 Cb -0.09 -0.83 -0.02 0.00 -1.51 0.00 0.00 72.50 70.05 1jy0 s THR 34 CO 0.00 -0.47 1.21 0.54 -2.21 0.00 0.00 174.62 173.69 1jy0 n ARG 35 N 1.16 0.27 -2.16 7.08 1.74 -1.26 -0.56 116.66 122.93 1jy0 n ARG 35 Ca -0.21 0.04 -0.39 0.00 -0.77 0.00 0.00 57.85 56.52 1jy0 n ARG 35 Cb 0.56 -1.63 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 1jy0 n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jy0 s ASP 36 N -4.00 5.55 0.26 0.55 2.15 -1.26 -4.82 116.67 115.09 1jy0 s ASP 36 Ca 0.06 0.25 0.20 0.00 0.43 0.00 0.00 52.55 53.49 1jy0 s ASP 36 Cb 0.14 -2.54 0.98 0.00 -0.30 0.00 0.00 42.92 41.21 1jy0 s ASP 36 CO 0.75 -2.18 1.62 -1.14 -0.17 0.00 0.00 175.17 174.05 1jy0 n ARG 37 N 9.12 0.14 0.07 4.34 0.63 -1.26 -1.40 116.66 128.31 1jy0 n ARG 37 Ca 0.17 0.53 0.12 0.00 -0.92 0.00 0.00 57.85 57.75 1jy0 n ARG 37 Cb 0.51 -1.87 0.24 0.00 0.45 0.00 0.00 32.46 31.79 1jy0 n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1jy0 n SER 38 N -2.15 0.73 -4.57 6.15 3.41 -1.26 -4.93 113.62 110.99 1jy0 n SER 38 Ca 0.00 0.25 -0.50 0.00 -0.26 0.00 0.00 58.87 58.36 1jy0 n SER 38 Cb 0.11 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1jy0 n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jy0 n ASP 39 N -2.15 1.31 -0.19 4.04 -0.08 -0.49 -4.87 116.55 114.13 1jy0 n ASP 39 Ca 0.04 1.14 0.15 0.00 -1.51 0.00 0.00 54.79 54.60 1jy0 n ASP 39 Cb 0.44 -1.19 0.66 0.00 2.34 0.00 0.00 41.12 43.36 1jy0 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jy0 n GLN 40 N 1.91 1.02 -0.38 -0.67 1.13 -1.26 -3.73 117.38 115.41 1jy0 n GLN 40 Ca 0.16 -0.37 0.08 0.00 -1.94 0.00 0.00 57.00 54.93 1jy0 n GLN 40 Cb 0.23 -1.49 0.25 0.00 0.11 0.00 0.00 30.24 29.33 1jy0 n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1jy0 n HIS 41 N -0.67 0.89 0.77 1.08 8.25 -1.26 -4.32 115.22 119.97 1jy0 n HIS 41 Ca 0.18 -0.63 0.09 0.00 -0.26 0.00 0.00 57.72 57.10 1jy0 n HIS 41 Cb 0.26 -0.16 0.01 0.00 1.12 0.00 0.00 29.99 31.22 1jy0 n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1jy0 n ILE 42 N 0.47 0.00 -2.67 1.59 -5.35 -1.24 -2.32 119.36 109.84 1jy0 n ILE 42 Ca 0.19 -0.35 -0.43 0.00 -0.27 0.00 0.00 62.75 61.89 1jy0 n ILE 42 Cb 0.69 1.24 -0.03 0.00 -1.74 0.00 0.00 39.64 39.80 1jy0 n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1jy0 s GLN 43 N -1.93 3.79 -0.02 6.28 1.11 -1.26 -4.52 119.66 123.11 1jy0 s GLN 43 Ca 0.16 0.62 0.04 0.00 0.01 0.00 0.00 55.36 56.19 1jy0 s GLN 43 Cb 0.14 -3.86 -0.03 0.00 -1.01 0.00 0.00 33.01 28.26 1jy0 s GLN 43 CO 0.40 -1.20 -0.14 -0.51 0.01 0.00 0.00 175.29 173.86 1jy0 s LEU 44 N 4.05 2.79 -0.26 2.90 1.43 -0.13 -1.22 118.68 128.24 1jy0 s LEU 44 Ca 0.44 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 1jy0 s LEU 44 Cb -0.09 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.54 1jy0 s LEU 44 CO 0.26 0.31 0.00 -1.58 0.23 0.00 0.00 176.35 175.57 1jy0 s GLN 45 N -1.03 3.11 0.14 1.70 2.00 0.12 0.15 119.66 125.85 1jy0 s GLN 45 Ca 0.13 -0.82 -0.07 0.00 -2.00 0.00 0.00 55.36 52.61 1jy0 s GLN 45 Cb -0.11 -3.15 -0.06 0.00 0.80 0.00 0.00 33.01 30.49 1jy0 s GLN 45 CO 0.03 -0.35 0.42 -0.51 -0.50 0.00 0.00 175.29 174.37 1jy0 s LEU 46 N 1.44 4.27 -0.01 3.68 1.02 -1.26 -1.25 118.68 126.57 1jy0 s LEU 46 Ca 0.03 0.70 -0.09 0.00 0.02 0.00 0.00 54.13 54.79 1jy0 s LEU 46 Cb -0.16 -3.31 0.01 0.00 0.02 0.00 0.00 46.19 42.75 1jy0 s LEU 46 CO -0.01 0.06 0.19 -0.94 0.02 0.00 0.00 176.35 175.66 1jy0 s SER 47 N -2.26 -0.06 0.32 2.29 1.04 -0.97 -4.79 113.70 109.27 1jy0 s SER 47 Ca 0.40 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.80 1jy0 s SER 47 Cb -0.12 0.27 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 1jy0 s SER 47 CO 0.22 -0.35 0.51 0.00 0.98 0.00 0.00 173.24 174.61 1jy0 s ALA 48 N -1.16 3.73 0.00 5.32 0.00 -1.26 -0.42 121.76 127.97 1jy0 s ALA 48 Ca -0.12 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1jy0 s ALA 48 Cb -0.06 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1jy0 s ALA 48 CO 0.02 0.07 0.00 -1.91 0.00 0.00 0.00 175.76 173.94 1jy0 n GLU 49 N -1.57 0.00 -2.36 0.00 4.07 -0.31 -4.88 120.64 115.59 1jy0 n GLU 49 Ca -0.05 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.80 1jy0 n GLU 49 Cb 0.56 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 32.02 1jy0 n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1jy0 s SER 50 N 0.66 4.71 0.11 4.31 0.01 -1.26 -4.90 113.70 117.35 1jy0 s SER 50 Ca 0.00 0.17 -0.33 0.00 1.31 0.00 0.00 55.95 57.10 1jy0 s SER 50 Cb 0.00 -0.78 -0.13 0.00 0.21 0.00 0.00 66.02 65.32 1jy0 s SER 50 CO 0.00 -1.62 1.70 0.52 0.41 0.00 0.00 173.24 174.25 1jy0 n VAL 51 N -2.82 0.17 -0.78 3.43 0.31 -1.26 -0.75 118.33 116.62 1jy0 n VAL 51 Ca 0.10 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1jy0 n VAL 51 Cb 0.60 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 1jy0 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jy0 n GLY 52 N 3.80 0.82 3.48 2.92 0.00 -1.26 -5.03 105.19 109.93 1jy0 n GLY 52 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1jy0 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jy0 s GLU 53 N -0.22 3.50 0.08 1.61 2.02 0.07 -1.31 118.70 124.45 1jy0 s GLU 53 Ca 0.00 -0.56 -0.00 0.00 0.02 0.00 0.00 54.97 54.43 1jy0 s GLU 53 Cb 0.00 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.37 1jy0 s GLU 53 CO 0.00 0.29 -0.03 0.14 0.02 0.00 0.00 175.26 175.68 1jy0 s VAL 54 N 0.21 0.35 0.06 2.63 -7.23 -0.04 -1.16 120.40 115.22 1jy0 s VAL 54 Ca -0.04 -1.86 0.06 0.00 -1.81 0.00 0.00 61.98 58.33 1jy0 s VAL 54 Cb -0.14 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 1jy0 s VAL 54 CO 0.03 -0.88 -0.11 -0.31 -0.31 0.00 0.00 175.10 173.52 1jy0 s TYR 55 N -3.85 2.73 -0.25 2.82 2.02 0.44 -1.09 117.35 120.17 1jy0 s TYR 55 Ca 0.11 -0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.68 1jy0 s TYR 55 Cb 0.07 -1.49 0.06 0.00 -0.40 0.00 0.00 41.96 40.20 1jy0 s TYR 55 CO -0.07 0.36 -0.08 0.42 -1.57 0.00 0.00 175.55 174.62 1jy0 s ILE 56 N -1.07 1.87 -0.07 2.71 1.01 -1.26 -2.29 121.20 122.09 1jy0 s ILE 56 Ca 0.18 -1.45 0.01 0.00 0.00 0.00 0.00 60.65 59.40 1jy0 s ILE 56 Cb -0.11 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 1jy0 s ILE 56 CO 0.10 -0.07 -0.09 -0.75 0.00 0.00 0.00 174.94 174.13 1jy0 s LYS 57 N 1.24 2.79 -0.32 2.79 2.20 -0.38 -0.24 119.74 127.82 1jy0 s LYS 57 Ca -0.07 -0.60 -0.29 0.00 -0.36 0.00 0.00 55.97 54.65 1jy0 s LYS 57 Cb -0.19 -2.55 0.01 0.00 -1.51 0.00 0.00 37.83 33.58 1jy0 s LYS 57 CO -0.06 0.59 1.26 0.45 -0.36 0.00 0.00 175.35 177.23 1jy0 s SER 58 N -0.61 6.70 0.40 1.43 0.15 -0.16 0.12 113.70 121.74 1jy0 s SER 58 Ca 0.09 1.12 0.10 0.00 0.70 0.00 0.00 55.95 57.96 1jy0 s SER 58 Cb -0.11 -2.54 0.84 0.00 -1.71 0.00 0.00 66.02 62.49 1jy0 s SER 58 CO 0.02 -1.07 1.95 0.71 1.20 0.00 0.00 173.24 176.05 1jy0 h THR 59 N 5.96 1.15 0.10 6.45 1.35 -1.50 0.38 112.91 126.81 1jy0 h THR 59 Ca -0.25 -0.64 -0.01 0.00 -0.55 0.00 0.00 66.41 64.96 1jy0 h THR 59 Cb 1.09 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1jy0 h THR 59 CO 1.04 0.21 -0.05 -0.08 -0.25 0.00 0.00 175.52 176.39 1jy0 h GLU 60 N 0.24 -0.13 0.00 4.72 4.57 -1.82 -3.38 114.58 118.79 1jy0 h GLU 60 Ca 0.05 0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.06 1jy0 h GLU 60 Cb 0.29 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 1jy0 h GLU 60 CO 0.01 0.32 -1.87 0.25 -1.18 0.00 0.00 179.01 176.54 1jy0 n THR 61 N -4.92 0.93 -0.66 0.32 -2.24 -1.20 -4.99 114.28 101.53 1jy0 n THR 61 Ca -0.08 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1jy0 n THR 61 Cb 0.26 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1jy0 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jy0 n GLY 62 N 1.47 0.80 3.84 3.38 0.00 0.13 -5.02 105.19 109.79 1jy0 n GLY 62 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1jy0 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jy0 s GLN 63 N -0.34 3.80 -0.03 1.61 -0.21 -1.26 -4.75 119.66 118.48 1jy0 s GLN 63 Ca 0.00 1.00 -0.00 0.00 0.02 0.00 0.00 55.36 56.38 1jy0 s GLN 63 Cb 0.00 -2.11 -0.04 0.00 1.00 0.00 0.00 33.01 31.86 1jy0 s GLN 63 CO 0.00 -0.40 0.03 0.71 -2.12 0.00 0.00 175.29 173.51 1jy0 s TYR 64 N -2.61 3.17 0.28 0.91 1.51 0.32 -0.98 117.35 119.94 1jy0 s TYR 64 Ca 0.60 0.16 -0.29 0.00 -1.01 0.00 0.00 57.07 56.53 1jy0 s TYR 64 Cb -0.11 -1.73 -0.10 0.00 -0.11 0.00 0.00 41.96 39.91 1jy0 s TYR 64 CO 0.33 0.50 1.26 -1.17 -1.11 0.00 0.00 175.55 175.36 1jy0 s LEU 65 N -1.40 4.45 0.04 -1.29 2.96 0.67 0.20 118.68 124.31 1jy0 s LEU 65 Ca 0.18 2.51 -0.06 0.00 -0.22 0.00 0.00 54.13 56.54 1jy0 s LEU 65 Cb -0.12 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 1jy0 s LEU 65 CO 0.09 -0.44 0.11 0.00 -1.32 0.00 0.00 176.35 174.78 1jy0 s ALA 66 N -0.76 -0.11 -0.13 5.97 0.00 0.04 -4.33 121.76 122.44 1jy0 s ALA 66 Ca 0.50 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1jy0 s ALA 66 Cb -0.37 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1jy0 s ALA 66 CO 0.46 -0.32 -0.14 1.41 0.00 0.00 0.00 175.76 177.17 1jy0 s MET 67 N -2.61 2.17 0.91 0.00 1.75 -0.92 -0.54 119.30 120.07 1jy0 s MET 67 Ca -0.05 -0.52 -0.13 0.00 -1.25 0.00 0.00 55.69 53.74 1jy0 s MET 67 Cb -0.01 -1.97 0.18 0.00 2.84 0.00 0.00 34.83 35.87 1jy0 s MET 67 CO -0.04 -0.18 1.26 0.16 -0.65 0.00 0.00 175.02 175.56 1jy0 s ASP 68 N 1.35 3.39 0.07 1.11 1.47 0.39 -4.83 116.67 119.62 1jy0 s ASP 68 Ca 0.01 0.17 0.10 0.00 1.18 0.00 0.00 52.55 54.01 1jy0 s ASP 68 Cb -0.13 -0.29 0.47 0.00 -0.34 0.00 0.00 42.92 42.63 1jy0 s ASP 68 CO -0.07 -2.55 1.32 0.35 0.68 0.00 0.00 175.17 174.90 1jy0 n THR 69 N -3.58 1.41 0.76 2.11 -2.24 -1.26 -0.76 114.28 110.72 1jy0 n THR 69 Ca 0.15 0.42 0.12 0.00 -2.27 0.00 0.00 64.05 62.47 1jy0 n THR 69 Cb 0.60 -1.33 0.15 0.00 -2.10 0.00 0.00 70.33 67.64 1jy0 n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1jy0 n ASP 70 N -1.69 3.15 0.00 3.42 8.00 -1.26 -4.94 116.55 123.23 1jy0 n ASP 70 Ca 0.01 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.52 1jy0 n ASP 70 Cb 0.09 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1jy0 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jy0 n GLY 71 N 1.41 0.58 3.86 0.44 0.00 0.06 -4.62 105.19 106.91 1jy0 n GLY 71 Ca 0.16 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1jy0 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jy0 s LEU 72 N 0.00 4.39 0.21 0.99 1.43 -1.26 -0.35 118.68 124.10 1jy0 s LEU 72 Ca 0.00 0.85 -0.15 0.00 -1.03 0.00 0.00 54.13 53.80 1jy0 s LEU 72 Cb 0.00 -2.84 -0.08 0.00 0.03 0.00 0.00 46.19 43.30 1jy0 s LEU 72 CO 0.00 0.23 0.63 -0.76 0.23 0.00 0.00 176.35 176.68 1jy0 s LEU 73 N -1.61 4.26 0.16 1.79 1.43 -1.26 -0.46 118.68 122.99 1jy0 s LEU 73 Ca 0.30 1.19 -0.22 0.00 -1.03 0.00 0.00 54.13 54.37 1jy0 s LEU 73 Cb -0.15 -3.57 0.06 0.00 0.03 0.00 0.00 46.19 42.56 1jy0 s LEU 73 CO 0.16 -0.00 0.56 -0.72 0.23 0.00 0.00 176.35 176.59 1jy0 s TYR 74 N -1.63 -0.46 -0.20 0.29 1.13 0.30 -4.58 117.35 112.20 1jy0 s TYR 74 Ca 0.44 0.22 -0.21 0.00 -1.41 0.00 0.00 57.07 56.11 1jy0 s TYR 74 Cb -0.14 0.50 -0.02 0.00 -1.10 0.00 0.00 41.96 41.20 1jy0 s TYR 74 CO 0.20 -0.83 0.62 0.20 -2.51 0.00 0.00 175.55 173.22 1jy0 s GLY 75 N -2.77 2.03 -0.02 5.49 0.00 -0.18 -0.78 107.32 111.09 1jy0 s GLY 75 Ca 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 44.72 44.43 1jy0 s GLY 75 CO -0.12 1.31 0.10 -0.45 0.00 0.00 0.00 173.10 173.94 1jy0 s SER 76 N 1.22 5.86 0.39 1.64 0.15 0.13 -4.80 113.70 118.29 1jy0 s SER 76 Ca 0.28 0.22 0.14 0.00 0.70 0.00 0.00 55.95 57.29 1jy0 s SER 76 Cb -0.16 -1.74 0.80 0.00 -1.71 0.00 0.00 66.02 63.21 1jy0 s SER 76 CO 0.10 0.29 1.86 1.56 1.20 0.00 0.00 173.24 178.26 1jy0 h GLN 77 N 4.22 0.00 -5.59 5.44 1.08 -1.92 0.92 115.11 119.27 1jy0 h GLN 77 Ca -0.50 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.25 1jy0 h GLN 77 Cb 1.19 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.43 1jy0 h GLN 77 CO 0.62 0.33 -0.78 0.95 -0.95 0.00 0.00 178.83 179.01 1jy0 s THR 78 N -4.24 1.41 -1.36 -0.54 -4.23 -1.26 -4.81 115.64 100.61 1jy0 s THR 78 Ca -0.03 -1.63 -0.11 0.00 -1.18 0.00 0.00 61.69 58.74 1jy0 s THR 78 Cb 0.14 -1.48 0.11 0.00 1.34 0.00 0.00 72.50 72.61 1jy0 s THR 78 CO 0.71 -0.31 2.08 -0.81 -0.54 0.00 0.00 174.62 175.76 1jy0 n PRO 79 N 0.74 3.41 -1.15 3.99 -0.04 -1.26 -4.76 135.00 135.93 1jy0 n PRO 79 Ca -0.17 -3.13 -0.05 0.00 -0.04 0.00 0.00 63.50 60.10 1jy0 n PRO 79 Cb 0.56 -3.03 0.02 0.00 -0.04 0.00 0.00 33.50 31.01 1jy0 n PRO 79 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1jy0 n ASN 80 N 4.51 0.35 0.06 3.54 0.23 -1.26 -4.90 115.26 117.79 1jy0 n ASN 80 Ca 0.47 -1.28 0.19 0.00 -0.53 0.00 0.00 54.58 53.43 1jy0 n ASN 80 Cb 0.36 -0.14 0.72 0.00 -2.08 0.00 0.00 39.78 38.65 1jy0 n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1jy0 h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.99 0.12 114.58 112.99 1jy0 h GLU 81 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.36 1jy0 h GLU 81 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1jy0 h GLU 81 CO 0.08 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.55 1jy0 n GLU 82 N -4.16 0.11 0.00 1.06 1.02 -1.26 -3.36 120.64 114.06 1jy0 n GLU 82 Ca 0.08 0.07 0.11 0.00 -0.02 0.00 0.00 57.16 57.40 1jy0 n GLU 82 Cb 0.55 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.50 1jy0 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jy0 s LEU 84 N -2.44 4.21 0.11 0.00 1.43 -1.21 -4.43 118.68 116.35 1jy0 s LEU 84 Ca 0.20 1.01 0.10 0.00 -1.03 0.00 0.00 54.13 54.40 1jy0 s LEU 84 Cb 0.18 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 1jy0 s LEU 84 CO 0.55 -0.23 -0.25 -0.36 0.23 0.00 0.00 176.35 176.29 1jy0 s PHE 85 N 1.52 2.11 -0.51 0.29 0.40 -0.25 -1.18 117.98 120.37 1jy0 s PHE 85 Ca 0.33 -0.39 -0.20 0.00 -0.60 0.00 0.00 56.93 56.06 1jy0 s PHE 85 Cb -0.16 -1.17 0.05 0.00 0.51 0.00 0.00 43.02 42.25 1jy0 s PHE 85 CO 0.13 0.26 0.69 -0.51 0.70 0.00 0.00 175.22 176.49 1jy0 s LEU 86 N -1.87 4.73 -0.29 -0.37 1.43 0.20 -0.86 118.68 121.66 1jy0 s LEU 86 Ca 0.11 -0.72 -0.24 0.00 -1.03 0.00 0.00 54.13 52.25 1jy0 s LEU 86 Cb -0.10 -2.56 -0.00 0.00 0.03 0.00 0.00 46.19 43.56 1jy0 s LEU 86 CO 0.05 -0.94 0.80 -0.70 0.23 0.00 0.00 176.35 175.79 1jy0 s GLU 87 N 2.92 4.04 0.11 1.70 2.12 -0.43 -1.77 118.70 127.39 1jy0 s GLU 87 Ca 0.19 0.70 0.05 0.00 0.36 0.00 0.00 54.97 56.28 1jy0 s GLU 87 Cb -0.17 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 1jy0 s GLU 87 CO 0.14 -0.62 -0.13 1.03 -0.54 0.00 0.00 175.26 175.14 1jy0 s ARG 88 N 2.92 0.95 0.27 4.30 1.81 -0.41 -4.69 118.95 124.10 1jy0 s ARG 88 Ca 0.33 -1.18 -0.29 0.00 -1.72 0.00 0.00 55.73 52.87 1jy0 s ARG 88 Cb -0.14 -0.80 -0.09 0.00 -0.45 0.00 0.00 34.95 33.46 1jy0 s ARG 88 CO 0.11 0.15 1.04 -1.17 -0.68 0.00 0.00 175.30 174.75 1jy0 s LEU 89 N -2.36 4.58 -0.01 2.53 2.96 0.03 -0.81 118.68 125.60 1jy0 s LEU 89 Ca 0.07 2.14 0.01 0.00 -0.22 0.00 0.00 54.13 56.13 1jy0 s LEU 89 Cb -0.05 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1jy0 s LEU 89 CO 0.02 -0.04 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.27 1jy0 s GLU 90 N -1.38 0.42 -1.39 1.98 2.56 0.69 -4.79 118.70 116.79 1jy0 s GLU 90 Ca 0.44 -0.13 -0.04 0.00 0.00 0.00 0.00 54.97 55.24 1jy0 s GLU 90 Cb -0.29 -0.43 0.02 0.00 2.00 0.00 0.00 34.13 35.42 1jy0 s GLU 90 CO 0.37 0.05 0.31 0.39 -0.56 0.00 0.00 175.26 175.83 1jy0 n GLU 91 N 3.23 -3.27 -1.95 4.30 1.02 -1.26 -0.62 120.64 122.10 1jy0 n GLU 91 Ca -0.16 0.73 -0.20 0.00 -0.02 0.00 0.00 57.16 57.51 1jy0 n GLU 91 Cb 0.56 -5.46 -0.05 0.00 -0.02 0.00 0.00 31.44 26.48 1jy0 n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jy0 n ASN 92 N -2.19 -5.48 0.00 1.62 4.13 -1.26 -4.62 115.26 107.46 1jy0 n ASN 92 Ca -0.12 0.28 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1jy0 n ASN 92 Cb 0.61 -4.72 0.00 0.00 -1.54 0.00 0.00 39.78 34.13 1jy0 n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1jy0 n HIS 93 N -3.05 -1.94 -2.22 3.10 -0.00 -0.01 -5.16 115.22 105.94 1jy0 n HIS 93 Ca -0.22 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.23 1jy0 n HIS 93 Cb 0.67 0.43 0.17 0.00 -0.00 0.00 0.00 29.99 31.26 1jy0 n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1jy0 s TYR 94 N -1.86 1.28 -0.06 1.57 2.02 0.21 -4.79 117.35 115.72 1jy0 s TYR 94 Ca 0.00 -0.04 0.03 0.00 -0.37 0.00 0.00 57.07 56.70 1jy0 s TYR 94 Cb 0.00 -3.72 -0.02 0.00 -0.40 0.00 0.00 41.96 37.81 1jy0 s TYR 94 CO 0.00 -2.43 -0.14 -0.80 -1.57 0.00 0.00 175.55 170.60 1jy0 s ASN 95 N -4.90 4.03 0.11 2.29 -0.87 0.12 -0.22 114.94 115.50 1jy0 s ASN 95 Ca 0.73 -0.21 0.09 0.00 -1.57 0.00 0.00 52.86 51.90 1jy0 s ASN 95 Cb -0.03 -0.93 -0.04 0.00 -0.02 0.00 0.00 41.25 40.23 1jy0 s ASN 95 CO 0.50 0.33 -0.22 0.42 -2.57 0.00 0.00 177.10 175.56 1jy0 s THR 96 N -0.61 1.81 -0.21 1.60 -4.23 0.01 -0.94 115.64 113.07 1jy0 s THR 96 Ca 0.09 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1jy0 s THR 96 Cb -0.11 -1.64 0.05 0.00 1.34 0.00 0.00 72.50 72.14 1jy0 s THR 96 CO 0.01 -0.04 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.69 1jy0 s TYR 97 N -1.16 2.07 -0.14 3.99 2.02 -1.26 -1.29 117.35 121.59 1jy0 s TYR 97 Ca 0.08 -1.48 -0.05 0.00 -0.37 0.00 0.00 57.07 55.26 1jy0 s TYR 97 Cb -0.10 -1.46 -0.03 0.00 -0.40 0.00 0.00 41.96 39.97 1jy0 s TYR 97 CO 0.05 -0.72 0.02 0.42 -1.57 0.00 0.00 175.55 173.75 1jy0 s ILE 98 N 1.51 4.42 0.05 2.71 1.01 -0.73 -0.96 121.20 129.22 1jy0 s ILE 98 Ca -0.03 -0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 1jy0 s ILE 98 Cb -0.18 -2.93 -0.09 0.00 0.01 0.00 0.00 42.46 39.27 1jy0 s ILE 98 CO -0.07 0.52 1.95 -0.55 0.00 0.00 0.00 174.94 176.80 1jy0 s SER 99 N -0.11 6.44 0.11 3.58 0.15 -0.48 0.61 113.70 124.01 1jy0 s SER 99 Ca 0.05 2.69 -0.18 0.00 0.70 0.00 0.00 55.95 59.21 1jy0 s SER 99 Cb -0.12 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 1jy0 s SER 99 CO 0.02 -1.05 1.66 0.50 1.20 0.00 0.00 173.24 175.56 1jy0 h LYS 100 N 10.30 0.42 -0.72 5.44 3.64 -1.48 0.17 116.57 134.35 1jy0 h LYS 100 Ca -0.49 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 58.83 1jy0 h LYS 100 Cb 1.24 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 1jy0 h LYS 100 CO 0.94 0.44 0.48 -0.22 -2.27 0.00 0.00 179.45 178.82 1jy0 h LYS 101 N 0.31 0.93 -0.54 1.90 3.64 -1.78 -2.57 116.57 118.45 1jy0 h LYS 101 Ca 0.09 -0.06 -0.25 0.00 -1.27 0.00 0.00 60.65 59.17 1jy0 h LYS 101 Cb 0.17 -0.21 -0.15 0.00 -0.41 0.00 0.00 32.23 31.63 1jy0 h LYS 101 CO -0.01 0.61 0.15 0.72 -2.27 0.00 0.00 179.45 178.65 1jy0 n HIS 102 N -4.43 1.70 -0.21 1.91 8.25 -1.06 -4.73 115.22 116.65 1jy0 n HIS 102 Ca 0.08 -1.55 0.01 0.00 -0.26 0.00 0.00 57.72 56.00 1jy0 n HIS 102 Cb 0.05 -0.61 0.12 0.00 1.12 0.00 0.00 29.99 30.67 1jy0 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jy0 h ALA 103 N 1.24 0.77 0.00 -1.41 0.00 -0.23 0.57 119.26 120.20 1jy0 h ALA 103 Ca 0.31 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1jy0 h ALA 103 Cb 2.01 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1jy0 h ALA 103 CO 0.59 -0.27 0.00 1.05 0.00 0.00 0.00 179.25 180.61 1jy0 h GLU 104 N 0.31 0.00 -0.01 0.00 9.09 -1.84 -0.80 114.58 121.33 1jy0 h GLU 104 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.74 1jy0 h GLU 104 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 1jy0 h GLU 104 CO -0.38 0.00 -0.42 1.63 0.05 0.00 0.00 179.01 179.88 1jy0 n LYS 105 N -2.77 0.58 -3.44 1.06 5.02 0.17 -4.96 118.16 113.83 1jy0 n LYS 105 Ca -0.01 -0.38 -0.20 0.00 -2.02 0.00 0.00 58.31 55.70 1jy0 n LYS 105 Cb 0.13 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.73 1jy0 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jy0 n ASN 106 N -0.88 -4.37 -4.59 4.39 4.13 -0.31 -4.96 115.26 108.67 1jy0 n ASN 106 Ca 0.09 -0.53 -0.41 0.00 1.68 0.00 0.00 54.58 55.41 1jy0 n ASN 106 Cb 0.36 -4.76 -0.07 0.00 -1.54 0.00 0.00 39.78 33.76 1jy0 n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1jy0 s TRP 107 N -3.31 3.22 0.32 3.10 0.52 -1.24 -4.50 118.94 117.05 1jy0 s TRP 107 Ca 0.31 0.43 0.08 0.00 0.02 0.00 0.00 56.10 56.95 1jy0 s TRP 107 Cb -0.14 -2.86 -0.04 0.00 -1.15 0.00 0.00 33.47 29.28 1jy0 s TRP 107 CO 0.68 -0.43 0.15 -0.06 0.02 0.00 0.00 176.95 177.31 1jy0 s PHE 108 N 2.41 2.78 -0.00 -1.98 0.40 -1.26 -1.38 117.98 118.95 1jy0 s PHE 108 Ca 0.21 -0.32 -0.30 0.00 -0.60 0.00 0.00 56.93 55.92 1jy0 s PHE 108 Cb -0.15 -1.58 -0.03 0.00 0.51 0.00 0.00 43.02 41.77 1jy0 s PHE 108 CO 0.12 0.37 1.00 0.08 0.70 0.00 0.00 175.22 177.48 1jy0 s VAL 109 N -2.36 4.80 -0.06 -0.44 1.01 -0.13 -4.41 120.40 118.80 1jy0 s VAL 109 Ca 0.37 2.01 -0.22 0.00 0.00 0.00 0.00 61.98 64.14 1jy0 s VAL 109 Cb -0.04 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 32.10 1jy0 s VAL 109 CO 0.23 0.15 0.50 -0.83 0.00 0.00 0.00 175.10 175.15 1jy0 s GLY 110 N 1.02 -0.38 -0.02 4.51 0.00 -1.26 -4.41 107.32 106.78 1jy0 s GLY 110 Ca 0.52 0.96 0.07 0.00 0.00 0.00 0.00 44.72 46.27 1jy0 s GLY 110 CO 0.28 0.69 -0.22 1.08 0.00 0.00 0.00 173.10 174.92 1jy0 s LEU 111 N -0.97 2.32 0.78 0.66 1.43 -0.36 0.11 118.68 122.65 1jy0 s LEU 111 Ca -0.10 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 1jy0 s LEU 111 Cb -0.03 -1.42 0.06 0.00 0.03 0.00 0.00 46.19 44.84 1jy0 s LEU 111 CO 0.06 0.32 1.13 -0.54 0.23 0.00 0.00 176.35 177.55 1jy0 s LYS 112 N -0.78 2.20 0.58 1.70 1.02 0.40 -4.40 119.74 120.46 1jy0 s LYS 112 Ca 0.11 0.35 0.33 0.00 0.02 0.00 0.00 55.97 56.78 1jy0 s LYS 112 Cb -0.10 -1.96 1.79 0.00 -0.52 0.00 0.00 37.83 37.04 1jy0 s LYS 112 CO 0.00 -1.47 2.18 1.57 -0.92 0.00 0.00 175.35 176.71 1jy0 h LYS 113 N -0.97 0.00 -0.01 1.68 2.10 -1.85 -0.55 116.57 116.97 1jy0 h LYS 113 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1jy0 h LYS 113 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1jy0 h LYS 113 CO 0.64 0.05 -0.04 0.27 -2.00 0.00 0.00 179.45 178.37 1jy0 n ASN 114 N -3.46 1.12 0.00 7.07 0.23 -1.26 -4.55 115.26 114.41 1jy0 n ASN 114 Ca -0.02 -1.28 0.00 0.00 -0.53 0.00 0.00 54.58 52.75 1jy0 n ASN 114 Cb 0.17 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 1jy0 n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jy0 n GLY 115 N 1.17 0.75 3.87 4.83 0.00 -0.21 -5.01 105.19 110.60 1jy0 n GLY 115 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1jy0 n GLY 115 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jy0 s SER 116 N -2.71 6.58 0.56 1.61 0.15 -1.26 -1.17 113.70 117.47 1jy0 s SER 116 Ca 0.00 1.05 -0.19 0.00 0.70 0.00 0.00 55.95 57.51 1jy0 s SER 116 Cb 0.00 -2.28 -0.05 0.00 -1.71 0.00 0.00 66.02 61.98 1jy0 s SER 116 CO 0.00 -0.26 1.17 -0.69 1.20 0.00 0.00 173.24 174.66 1jy0 s VAL 117 N -2.13 2.92 -0.41 4.45 1.01 -1.26 0.15 120.40 125.13 1jy0 s VAL 117 Ca 0.50 0.58 -0.08 0.00 0.00 0.00 0.00 61.98 62.98 1jy0 s VAL 117 Cb -0.10 -3.24 0.08 0.00 0.00 0.00 0.00 36.38 33.12 1jy0 s VAL 117 CO 0.26 -0.12 0.23 -0.54 0.00 0.00 0.00 175.10 174.94 1jy0 s LYS 118 N -3.27 2.49 0.34 2.72 1.02 0.12 -4.64 119.74 118.53 1jy0 s LYS 118 Ca 0.74 -1.51 -0.26 0.00 0.02 0.00 0.00 55.97 54.96 1jy0 s LYS 118 Cb -0.27 -3.71 -0.13 0.00 -0.52 0.00 0.00 37.83 33.20 1jy0 s LYS 118 CO 0.30 -0.95 0.84 2.89 -0.92 0.00 0.00 175.35 177.51 1jy0 n ARG 119 N 4.84 1.02 -0.35 1.68 -4.01 -1.26 -4.19 116.66 114.39 1jy0 n ARG 119 Ca -0.09 0.36 -0.04 0.00 -1.04 0.00 0.00 57.85 57.04 1jy0 n ARG 119 Cb 0.43 -1.72 0.00 0.00 -3.04 0.00 0.00 32.46 28.13 1jy0 n ARG 119 CO 0.00 0.00 0.00 0.78 -3.04 0.00 0.00 177.63 175.37 1jy0 h GLY 120 N 1.49 -0.19 1.98 2.89 0.00 -0.90 0.23 103.07 108.58 1jy0 h GLY 120 Ca -0.40 0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1jy0 h GLY 120 CO 0.57 -0.15 0.01 -0.56 0.00 0.00 0.00 176.54 176.41 1jy0 h PRO 121 N -0.05 0.00 -0.15 4.80 0.13 -1.83 0.79 132.00 135.69 1jy0 h PRO 121 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 1jy0 h PRO 121 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1jy0 h PRO 121 CO -0.91 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 177.40 1jy0 n ARG 122 N -2.69 2.32 -3.29 0.86 3.00 0.78 -4.94 116.66 112.70 1jy0 n ARG 122 Ca -0.02 -1.94 -0.19 0.00 -0.01 0.00 0.00 57.85 55.69 1jy0 n ARG 122 Cb 0.06 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.04 1jy0 n ARG 122 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1jy0 s THR 123 N -1.84 3.76 -0.26 0.55 -4.23 0.27 -4.95 115.64 108.94 1jy0 s THR 123 Ca 0.32 -0.95 -0.36 0.00 -1.18 0.00 0.00 61.69 59.53 1jy0 s THR 123 Cb 0.21 -3.30 0.16 0.00 1.34 0.00 0.00 72.50 70.91 1jy0 s THR 123 CO 0.31 -0.13 1.32 -1.38 -0.54 0.00 0.00 174.62 174.20 1jy0 s HIS 124 N -2.26 -0.06 0.43 3.99 -3.43 -1.26 -4.87 115.29 107.82 1jy0 s HIS 124 Ca 0.48 0.05 -0.25 0.00 -0.80 0.00 0.00 55.06 54.55 1jy0 s HIS 124 Cb -0.10 0.50 -0.09 0.00 -1.43 0.00 0.00 32.58 31.46 1jy0 s HIS 124 CO 0.32 -0.09 1.24 0.66 -2.00 0.00 0.00 174.74 174.88 1jy0 n TYR 125 N 0.09 2.01 0.00 0.38 4.01 -1.26 -2.43 117.16 119.95 1jy0 n TYR 125 Ca 0.03 0.50 0.00 0.00 -0.16 0.00 0.00 57.90 58.27 1jy0 n TYR 125 Cb 0.57 -2.35 0.00 0.00 -0.31 0.00 0.00 39.34 37.25 1jy0 n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jy0 n GLY 126 N 0.86 1.66 3.85 2.72 0.00 -1.26 -5.07 105.19 107.96 1jy0 n GLY 126 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1jy0 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jy0 s GLN 127 N -0.95 3.26 0.04 1.61 -0.21 -1.02 -4.99 119.66 117.40 1jy0 s GLN 127 Ca 0.00 0.78 0.15 0.00 0.02 0.00 0.00 55.36 56.31 1jy0 s GLN 127 Cb 0.00 -2.04 -0.16 0.00 1.00 0.00 0.00 33.01 31.81 1jy0 s GLN 127 CO 0.00 -0.82 0.80 1.57 -2.12 0.00 0.00 175.29 174.72 1jy0 h LYS 128 N -0.51 0.00 0.00 2.91 5.09 -1.97 -3.36 116.57 118.73 1jy0 h LYS 128 Ca -0.44 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.29 1jy0 h LYS 128 Cb 1.21 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.53 1jy0 h LYS 128 CO 0.60 0.36 -0.04 0.00 -2.09 0.00 0.00 179.45 178.28 1jy0 h ALA 129 N 1.30 1.67 -0.00 0.07 0.00 -1.94 -2.54 119.26 117.82 1jy0 h ALA 129 Ca -0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1jy0 h ALA 129 Cb 1.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1jy0 h ALA 129 CO 0.06 0.06 -0.37 0.44 0.00 0.00 0.00 179.25 179.43 1jy0 n ILE 130 N -4.12 0.00 -2.87 0.00 -5.35 -1.26 -1.23 119.36 104.54 1jy0 n ILE 130 Ca -0.03 -0.01 -0.42 0.00 -0.27 0.00 0.00 62.75 62.03 1jy0 n ILE 130 Cb 0.13 0.09 -0.04 0.00 -1.74 0.00 0.00 39.64 38.08 1jy0 n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1jy0 s LEU 131 N -2.96 4.12 0.12 7.28 1.43 -0.96 -4.41 118.68 123.31 1jy0 s LEU 131 Ca 0.13 1.13 0.09 0.00 -1.03 0.00 0.00 54.13 54.45 1jy0 s LEU 131 Cb 0.18 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 1jy0 s LEU 131 CO 0.65 -0.48 -0.21 -0.36 0.23 0.00 0.00 176.35 176.18 1jy0 s PHE 132 N 2.58 1.84 -0.11 0.29 0.40 -0.11 -2.24 117.98 120.63 1jy0 s PHE 132 Ca 0.37 -0.43 -0.00 0.00 -0.60 0.00 0.00 56.93 56.27 1jy0 s PHE 132 Cb -0.16 -0.99 0.02 0.00 0.51 0.00 0.00 43.02 42.41 1jy0 s PHE 132 CO 0.09 0.25 -0.08 -1.17 0.70 0.00 0.00 175.22 175.01 1jy0 s LEU 133 N -2.09 1.20 0.27 -0.37 2.96 0.48 0.12 118.68 121.24 1jy0 s LEU 133 Ca 0.09 -0.30 -0.29 0.00 -0.22 0.00 0.00 54.13 53.41 1jy0 s LEU 133 Cb -0.09 -0.83 -0.09 0.00 0.50 0.00 0.00 46.19 45.67 1jy0 s LEU 133 CO 0.05 -0.11 1.20 -2.16 -1.32 0.00 0.00 176.35 174.01 1jy0 s PRO 134 N 1.65 4.50 0.08 0.98 0.04 -1.26 -1.06 135.00 139.93 1jy0 s PRO 134 Ca 0.04 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.07 1jy0 s PRO 134 Cb -0.13 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 1jy0 s PRO 134 CO -0.07 -0.01 -0.08 -0.51 0.04 0.00 0.00 177.00 176.37 1jy0 s LEU 135 N -1.17 2.40 0.42 -3.56 1.43 0.17 -4.92 118.68 113.45 1jy0 s LEU 135 Ca 0.49 -0.81 -0.25 0.00 -1.03 0.00 0.00 54.13 52.53 1jy0 s LEU 135 Cb -0.35 -0.17 -0.08 0.00 0.03 0.00 0.00 46.19 45.62 1jy0 s LEU 135 CO 0.43 -0.33 1.20 -2.16 0.23 0.00 0.00 176.35 175.72 1jy0 s PRO 136 N -2.84 3.94 0.00 1.29 0.04 -1.26 0.21 135.00 136.38 1jy0 s PRO 136 Ca 0.03 1.89 0.18 0.00 0.04 0.00 0.00 61.00 63.14 1jy0 s PRO 136 Cb -0.02 -2.61 1.05 0.00 0.04 0.00 0.00 34.50 32.96 1jy0 s PRO 136 CO -0.02 -0.43 1.45 1.33 0.04 0.00 0.00 177.00 179.37