#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b83 s LEU 1 N 0.00 1.48 0.30 -0.89 2.96 -1.26 -5.07 118.68 116.20 3b83 s LEU 1 Ca 0.00 -0.04 -0.30 0.00 -0.22 0.00 0.00 54.13 53.57 3b83 s LEU 1 Cb 0.00 -0.21 -0.11 0.00 0.50 0.00 0.00 46.19 46.36 3b83 s LEU 1 CO 0.00 -0.05 1.60 -1.10 -1.32 0.00 0.00 176.35 175.49 3b83 s GLN 2 N 0.61 4.10 0.59 1.98 -1.52 -1.26 -4.10 119.66 120.07 3b83 s GLN 2 Ca -0.06 2.61 -0.04 0.00 -1.95 0.00 0.00 55.36 55.91 3b83 s GLN 2 Cb -0.09 -3.01 0.02 0.00 -0.22 0.00 0.00 33.01 29.71 3b83 s GLN 2 CO -0.01 -0.65 0.88 -1.25 -0.25 0.00 0.00 175.29 174.01 3b83 s PRO 3 N -0.64 2.74 0.96 2.91 0.04 -1.26 -4.75 135.00 134.99 3b83 s PRO 3 Ca 0.63 -0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.34 3b83 s PRO 3 Cb -0.48 -2.31 0.17 0.00 0.04 0.00 0.00 34.50 31.91 3b83 s PRO 3 CO 0.50 -0.76 1.09 -2.14 0.04 0.00 0.00 177.00 175.72 3b83 s PRO 4 N -4.96 0.74 0.31 0.56 0.02 -1.26 -4.22 135.00 126.19 3b83 s PRO 4 Ca 0.55 0.68 -0.04 0.00 0.02 0.00 0.00 61.00 62.21 3b83 s PRO 4 Cb -0.10 -1.76 0.02 0.00 0.02 0.00 0.00 34.50 32.67 3b83 s PRO 4 CO 0.43 -2.56 0.48 1.97 -0.33 0.00 0.00 177.00 176.99 3b83 n PHE 5 N -4.08 -1.52 -3.90 6.54 1.16 0.12 -4.67 117.46 111.11 3b83 n PHE 5 Ca 0.06 -1.89 -0.27 0.00 -1.87 0.00 0.00 57.45 53.49 3b83 n PHE 5 Cb 0.56 0.55 0.01 0.00 -1.61 0.00 0.00 39.48 38.98 3b83 n PHE 5 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3b83 n ASN 6 N -1.63 -1.97 -4.77 5.98 3.02 -1.26 -0.45 115.26 114.18 3b83 n ASN 6 Ca -0.01 -0.90 -0.40 0.00 -0.03 0.00 0.00 54.58 53.24 3b83 n ASN 6 Cb 0.50 -3.52 0.00 0.00 -0.61 0.00 0.00 39.78 36.15 3b83 n ASN 6 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3b83 s ILE 7 N -3.64 2.41 -0.15 2.41 2.07 -1.26 -4.37 121.20 118.67 3b83 s ILE 7 Ca 0.25 0.37 -0.06 0.00 -1.41 0.00 0.00 60.65 59.80 3b83 s ILE 7 Cb -0.13 -3.22 0.07 0.00 0.13 0.00 0.00 42.46 39.31 3b83 s ILE 7 CO 0.86 0.06 0.32 -0.75 -1.91 0.00 0.00 174.94 173.51 3b83 s LYS 8 N -2.26 0.21 -0.03 3.50 2.20 -0.04 -4.99 119.74 118.33 3b83 s LYS 8 Ca 0.57 0.84 -0.13 0.00 -0.36 0.00 0.00 55.97 56.89 3b83 s LYS 8 Cb -0.41 0.09 -0.05 0.00 -1.51 0.00 0.00 37.83 35.95 3b83 s LYS 8 CO 0.53 -0.27 0.36 0.08 -0.36 0.00 0.00 175.35 175.69 3b83 s VAL 9 N 2.42 5.12 0.11 4.02 1.01 -1.26 -1.95 120.40 129.88 3b83 s VAL 9 Ca -0.00 0.72 -0.06 0.00 0.00 0.00 0.00 61.98 62.63 3b83 s VAL 9 Cb -0.12 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 3b83 s VAL 9 CO -0.10 0.58 0.16 -0.89 0.00 0.00 0.00 175.10 174.85 3b83 s THR 10 N -1.01 0.12 -1.38 3.92 2.01 0.21 -4.92 115.64 114.60 3b83 s THR 10 Ca 0.22 -1.46 -0.00 0.00 0.31 0.00 0.00 61.69 60.76 3b83 s THR 10 Cb -0.16 -1.64 0.00 0.00 0.01 0.00 0.00 72.50 70.72 3b83 s THR 10 CO 0.11 -0.56 0.51 0.59 -0.69 0.00 0.00 174.62 174.58 3b83 n ASN 11 N -0.09 -0.61 -4.71 3.53 3.02 -1.26 -0.03 115.26 115.11 3b83 n ASN 11 Ca -0.11 -0.95 -0.42 0.00 -0.03 0.00 0.00 54.58 53.07 3b83 n ASN 11 Cb 0.63 -3.36 -0.03 0.00 -0.61 0.00 0.00 39.78 36.41 3b83 n ASN 11 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3b83 s ILE 12 N -3.86 4.04 0.00 2.41 1.01 -1.26 -4.32 121.20 119.21 3b83 s ILE 12 Ca 0.01 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.14 3b83 s ILE 12 Cb -0.01 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3b83 s ILE 12 CO 0.87 0.12 0.00 0.35 0.00 0.00 0.00 174.94 176.27 3b83 n THR 13 N 3.87 0.00 0.07 2.92 -2.24 -0.43 -4.77 114.28 113.71 3b83 n THR 13 Ca 0.09 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.79 3b83 n THR 13 Cb 0.46 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.76 3b83 n THR 13 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3b83 h LEU 14 N 0.00 0.33 -1.02 3.22 -0.00 -1.93 0.18 115.31 116.09 3b83 h LEU 14 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 3b83 h LEU 14 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.56 3b83 h LEU 14 CO 0.00 0.92 0.00 0.35 -0.00 0.00 0.00 178.44 179.71 3b83 n THR 15 N -3.81 0.16 -4.04 0.22 -2.24 -1.26 -3.08 114.28 100.23 3b83 n THR 15 Ca -0.03 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.45 3b83 n THR 15 Cb 0.68 1.22 -0.10 0.00 -2.10 0.00 0.00 70.33 70.03 3b83 n THR 15 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3b83 s THR 16 N -0.16 0.18 -0.06 4.28 -4.23 -1.26 -0.98 115.64 113.41 3b83 s THR 16 Ca 0.00 -1.39 -0.13 0.00 -1.18 0.00 0.00 61.69 58.99 3b83 s THR 16 Cb 0.00 -0.93 0.03 0.00 1.34 0.00 0.00 72.50 72.93 3b83 s THR 16 CO 0.00 -0.76 0.30 0.00 -0.54 0.00 0.00 174.62 173.63 3b83 s ALA 17 N -2.75 -0.76 -0.23 3.99 0.00 -0.27 -1.32 121.76 120.42 3b83 s ALA 17 Ca -0.04 0.57 -0.07 0.00 0.00 0.00 0.00 51.96 52.42 3b83 s ALA 17 Cb -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3b83 s ALA 17 CO -0.06 -0.21 0.07 0.08 0.00 0.00 0.00 175.76 175.65 3b83 s VAL 18 N -0.62 4.43 -0.13 0.00 1.01 0.96 -0.01 120.40 126.04 3b83 s VAL 18 Ca -0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 3b83 s VAL 18 Cb -0.04 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3b83 s VAL 18 CO 0.02 0.37 -0.05 -0.69 0.00 0.00 0.00 175.10 174.75 3b83 s VAL 19 N 1.29 3.78 -0.06 2.92 1.01 0.15 0.68 120.40 130.17 3b83 s VAL 19 Ca 0.05 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 3b83 s VAL 19 Cb -0.15 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.63 3b83 s VAL 19 CO 0.03 0.53 0.23 0.28 0.00 0.00 0.00 175.10 176.17 3b83 s THR 20 N 0.01 0.03 0.36 3.92 -1.32 -0.82 0.23 115.64 118.04 3b83 s THR 20 Ca -0.00 -0.24 -0.02 0.00 -1.21 0.00 0.00 61.69 60.22 3b83 s THR 20 Cb -0.13 -0.41 0.01 0.00 -1.51 0.00 0.00 72.50 70.45 3b83 s THR 20 CO 0.03 -0.13 0.49 -1.66 -2.21 0.00 0.00 174.62 171.14 3b83 s TRP 21 N -0.47 1.08 -0.16 9.09 -2.14 -0.75 -0.86 118.94 124.73 3b83 s TRP 21 Ca -0.06 -1.32 0.01 0.00 2.66 0.00 0.00 56.10 57.39 3b83 s TRP 21 Cb -0.04 -0.06 0.00 0.00 -3.10 0.00 0.00 33.47 30.27 3b83 s TRP 21 CO 0.01 -1.17 -0.17 -1.14 -2.66 0.00 0.00 176.95 171.82 3b83 s GLN 22 N -2.93 3.15 0.72 3.25 2.00 0.40 -4.81 119.66 121.44 3b83 s GLN 22 Ca 0.30 -0.78 -0.14 0.00 -2.00 0.00 0.00 55.36 52.75 3b83 s GLN 22 Cb -0.01 -2.60 0.03 0.00 0.80 0.00 0.00 33.01 31.24 3b83 s GLN 22 CO 0.21 -0.03 1.13 -2.14 -0.50 0.00 0.00 175.29 173.96 3b83 s PRO 23 N 0.92 2.37 0.73 1.67 0.02 -1.26 0.11 135.00 139.55 3b83 s PRO 23 Ca -0.04 1.46 -0.15 0.00 0.02 0.00 0.00 61.00 62.29 3b83 s PRO 23 Cb -0.15 -1.89 0.04 0.00 0.02 0.00 0.00 34.50 32.52 3b83 s PRO 23 CO -0.02 -1.60 1.21 -2.14 -0.33 0.00 0.00 177.00 174.12 3b83 s PRO 24 N -4.25 2.13 0.25 5.54 0.02 -1.26 -4.71 135.00 132.72 3b83 s PRO 24 Ca 0.68 1.77 -0.03 0.00 0.02 0.00 0.00 61.00 63.43 3b83 s PRO 24 Cb -0.22 -1.83 0.29 0.00 0.02 0.00 0.00 34.50 32.76 3b83 s PRO 24 CO 0.47 -1.84 1.73 0.97 -0.33 0.00 0.00 177.00 177.99 3b83 h ILE 25 N -0.30 1.25 -4.06 2.83 6.09 -1.92 -3.44 117.51 117.96 3b83 h ILE 25 Ca -0.48 -1.07 -0.50 0.00 -1.37 0.00 0.00 64.86 61.44 3b83 h ILE 25 Cb 1.30 0.93 0.06 0.00 0.47 0.00 0.00 36.82 39.58 3b83 h ILE 25 CO 0.50 0.37 0.44 -0.76 -3.07 0.00 0.00 178.15 175.63 3b83 s LEU 26 N -9.13 3.85 0.36 2.19 1.43 -1.26 -4.96 118.68 111.16 3b83 s LEU 26 Ca -0.10 2.19 -0.28 0.00 -1.03 0.00 0.00 54.13 54.91 3b83 s LEU 26 Cb 0.14 -4.47 -0.11 0.00 0.03 0.00 0.00 46.19 41.78 3b83 s LEU 26 CO 0.82 -1.07 1.50 -2.65 0.23 0.00 0.00 176.35 175.18 3b83 n PRO 27 N -0.99 2.65 -4.13 1.29 -0.02 -1.26 -5.01 135.00 127.52 3b83 n PRO 27 Ca 0.10 0.93 -0.10 0.00 -2.02 0.00 0.00 63.50 62.41 3b83 n PRO 27 Cb 0.50 -2.67 -0.10 0.00 -0.02 0.00 0.00 33.50 31.21 3b83 n PRO 27 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3b83 s ILE 28 N -0.86 0.57 -0.39 4.25 -4.36 -1.26 -5.00 121.20 114.15 3b83 s ILE 28 Ca 0.56 -1.76 0.23 0.00 -0.26 0.00 0.00 60.65 59.42 3b83 s ILE 28 Cb -0.49 -1.45 0.14 0.00 1.25 0.00 0.00 42.46 41.91 3b83 s ILE 28 CO 0.60 -0.81 1.32 -0.33 0.24 0.00 0.00 174.94 175.96 3b83 h GLU 29 N 3.27 0.00 -1.29 0.37 5.08 -1.84 -3.45 114.58 116.73 3b83 h GLU 29 Ca -0.35 0.00 0.33 0.00 -1.00 0.00 0.00 59.36 58.34 3b83 h GLU 29 Cb 1.17 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.26 3b83 h GLU 29 CO 0.61 0.00 0.89 0.20 -1.00 0.00 0.00 179.01 179.70 3b83 s GLY 30 N -4.17 -0.37 -0.08 -3.84 0.00 -0.91 -4.78 107.32 93.17 3b83 s GLY 30 Ca 0.04 1.15 0.02 0.00 0.00 0.00 0.00 44.72 45.93 3b83 s GLY 30 CO 0.73 0.31 -0.14 -0.42 0.00 0.00 0.00 173.10 173.58 3b83 s ILE 31 N -2.27 1.33 -0.21 0.90 1.01 -0.25 -1.20 121.20 120.50 3b83 s ILE 31 Ca 0.13 -0.57 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 3b83 s ILE 31 Cb 0.03 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 3b83 s ILE 31 CO -0.04 0.40 0.03 -0.76 0.00 0.00 0.00 174.94 174.56 3b83 s LEU 32 N 0.75 3.37 -0.15 2.97 1.43 0.10 -0.12 118.68 127.02 3b83 s LEU 32 Ca -0.12 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3b83 s LEU 32 Cb -0.16 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 3b83 s LEU 32 CO 0.03 0.04 -0.09 -0.69 0.23 0.00 0.00 176.35 175.87 3b83 s VAL 33 N 1.14 3.41 -0.06 -1.59 1.01 -0.44 -0.63 120.40 123.23 3b83 s VAL 33 Ca 0.03 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.54 3b83 s VAL 33 Cb -0.14 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 3b83 s VAL 33 CO 0.02 0.50 -0.23 -0.89 0.00 0.00 0.00 175.10 174.50 3b83 s THR 34 N 0.47 1.91 0.08 3.92 2.01 0.12 -0.88 115.64 123.28 3b83 s THR 34 Ca -0.07 -0.97 -0.07 0.00 0.31 0.00 0.00 61.69 60.89 3b83 s THR 34 Cb -0.15 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 3b83 s THR 34 CO 0.04 0.53 0.15 0.72 -0.69 0.00 0.00 174.62 175.37 3b83 s PHE 35 N -0.01 0.22 0.00 4.92 -0.12 -0.45 -0.56 117.98 121.98 3b83 s PHE 35 Ca -0.07 -0.66 0.00 0.00 -0.05 0.00 0.00 56.93 56.15 3b83 s PHE 35 Cb -0.14 -0.12 0.00 0.00 -0.63 0.00 0.00 43.02 42.13 3b83 s PHE 35 CO 0.04 -0.51 0.00 0.41 -0.05 0.00 0.00 175.22 175.12 3b83 n GLY 36 N 0.01 -0.12 3.75 1.99 0.00 -1.17 -1.24 105.19 108.42 3b83 n GLY 36 Ca -0.15 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 3b83 n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b83 s ARG 37 N -2.00 4.17 0.47 1.61 0.52 -1.24 -1.87 118.95 120.61 3b83 s ARG 37 Ca 0.00 2.49 0.22 0.00 -0.52 0.00 0.00 55.73 57.91 3b83 s ARG 37 Cb 0.00 -3.04 1.17 0.00 0.52 0.00 0.00 34.95 33.60 3b83 s ARG 37 CO 0.00 -0.54 1.98 -0.22 0.02 0.00 0.00 175.30 176.55 3b83 h LYS 38 N 4.52 0.00 -1.61 3.54 3.64 -1.62 -2.78 116.57 122.26 3b83 h LYS 38 Ca -0.47 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.84 3b83 h LYS 38 Cb 1.22 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 3b83 h LYS 38 CO 0.76 0.19 0.08 -1.71 -2.27 0.00 0.00 179.45 176.50 3b83 n ASN 39 N -3.83 4.79 0.00 4.20 2.85 -1.26 -4.64 115.26 117.38 3b83 n ASN 39 Ca -0.02 -2.43 0.00 0.00 -0.11 0.00 0.00 54.58 52.02 3b83 n ASN 39 Cb 0.29 -0.93 0.00 0.00 1.24 0.00 0.00 39.78 40.38 3b83 n ASN 39 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 3b83 n ASP 40 N 0.95 0.00 0.30 1.20 -0.08 -1.05 -5.01 116.55 112.86 3b83 n ASP 40 Ca 0.06 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.52 3b83 n ASP 40 Cb 0.55 0.00 0.93 0.00 2.34 0.00 0.00 41.12 44.94 3b83 n ASP 40 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3b83 h PRO 41 N 0.00 0.00 -0.05 -0.67 0.11 -1.82 -2.58 132.00 126.99 3b83 h PRO 41 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3b83 h PRO 41 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3b83 h PRO 41 CO 0.00 0.04 -0.04 0.77 -0.21 0.00 0.00 178.00 178.55 3b83 h SER 42 N 0.00 0.12 -0.37 -2.05 0.02 -1.95 -3.36 113.55 105.96 3b83 h SER 42 Ca -0.00 -0.48 -0.43 0.00 -0.84 0.00 0.00 61.79 60.03 3b83 h SER 42 Cb 0.20 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3b83 h SER 42 CO 0.00 0.57 1.45 -0.67 -1.14 0.00 0.00 176.83 177.05 3b83 n ASP 43 N -4.77 3.07 -3.95 3.07 2.03 -0.97 -4.88 116.55 110.15 3b83 n ASP 43 Ca -0.08 -2.71 -0.14 0.00 0.52 0.00 0.00 54.79 52.38 3b83 n ASP 43 Cb 0.28 -1.59 -0.14 0.00 -0.72 0.00 0.00 41.12 38.95 3b83 n ASP 43 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3b83 s GLU 44 N 5.95 0.33 -0.04 -0.67 2.02 -1.26 -3.60 118.70 121.43 3b83 s GLU 44 Ca 0.65 -0.21 0.03 0.00 0.02 0.00 0.00 54.97 55.46 3b83 s GLU 44 Cb 0.03 -0.29 0.00 0.00 0.10 0.00 0.00 34.13 33.98 3b83 s GLU 44 CO 0.13 0.08 -0.14 0.99 0.02 0.00 0.00 175.26 176.34 3b83 s THR 45 N -0.25 1.18 -0.14 3.63 2.01 -0.37 -4.97 115.64 116.72 3b83 s THR 45 Ca -0.00 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.43 3b83 s THR 45 Cb -0.03 -1.03 0.03 0.00 0.01 0.00 0.00 72.50 71.48 3b83 s THR 45 CO -0.00 0.35 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.28 3b83 s THR 46 N 0.20 1.36 0.02 -0.82 2.01 -1.26 -1.35 115.64 115.81 3b83 s THR 46 Ca -0.06 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.41 3b83 s THR 46 Cb -0.11 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 3b83 s THR 46 CO 0.02 0.38 0.04 0.68 -0.69 0.00 0.00 174.62 175.05 3b83 s VAL 47 N 1.57 4.37 -0.36 3.82 -7.23 -0.05 -4.92 120.40 117.59 3b83 s VAL 47 Ca 0.04 -0.62 -0.10 0.00 -1.81 0.00 0.00 61.98 59.49 3b83 s VAL 47 Cb -0.13 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 33.83 3b83 s VAL 47 CO -0.09 0.30 0.19 -0.62 -0.31 0.00 0.00 175.10 174.57 3b83 s ASP 48 N -1.83 5.67 0.27 4.85 2.15 -1.26 -1.33 116.67 125.20 3b83 s ASP 48 Ca 0.23 -0.90 0.10 0.00 0.43 0.00 0.00 52.55 52.40 3b83 s ASP 48 Cb -0.12 -2.01 -0.04 0.00 -0.30 0.00 0.00 42.92 40.45 3b83 s ASP 48 CO 0.14 -0.34 -0.01 -0.76 -0.17 0.00 0.00 175.17 174.02 3b83 s LEU 49 N 1.56 3.14 0.78 -1.34 1.43 0.82 -4.95 118.68 120.12 3b83 s LEU 49 Ca 0.02 -0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 52.31 3b83 s LEU 49 Cb -0.19 -1.65 0.06 0.00 0.03 0.00 0.00 46.19 44.45 3b83 s LEU 49 CO 0.06 -0.02 1.08 -0.89 0.23 0.00 0.00 176.35 176.82 3b83 s THR 50 N -2.35 3.32 -1.46 5.49 2.01 -1.26 -1.10 115.64 120.29 3b83 s THR 50 Ca 0.32 0.43 0.30 0.00 0.31 0.00 0.00 61.69 63.05 3b83 s THR 50 Cb -0.06 -3.08 0.52 0.00 0.01 0.00 0.00 72.50 69.90 3b83 s THR 50 CO 0.20 -0.56 2.03 -1.54 -0.69 0.00 0.00 174.62 174.06 3b83 n SER 51 N -3.44 0.06 -0.75 3.53 3.41 -1.26 -3.08 113.62 112.09 3b83 n SER 51 Ca 0.08 -0.21 0.06 0.00 -0.26 0.00 0.00 58.87 58.54 3b83 n SER 51 Cb 0.55 -0.25 0.18 0.00 -0.26 0.00 0.00 64.21 64.42 3b83 n SER 51 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3b83 n SER 52 N -1.25 2.16 -4.37 4.04 3.41 -1.26 -4.69 113.62 111.67 3b83 n SER 52 Ca 0.14 -2.01 -0.35 0.00 -0.26 0.00 0.00 58.87 56.39 3b83 n SER 52 Cb 0.24 -0.27 -0.13 0.00 -0.26 0.00 0.00 64.21 63.79 3b83 n SER 52 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3b83 s ILE 53 N -1.47 3.74 -0.56 -1.33 1.01 -1.18 -4.98 121.20 116.44 3b83 s ILE 53 Ca 0.27 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.61 3b83 s ILE 53 Cb 0.14 -2.72 0.11 0.00 0.01 0.00 0.00 42.46 40.00 3b83 s ILE 53 CO 0.18 0.40 0.96 0.35 0.00 0.00 0.00 174.94 176.83 3b83 n THR 54 N 4.78 0.63 -3.70 2.92 -2.24 -1.26 -4.90 114.28 110.51 3b83 n THR 54 Ca -0.17 -0.82 -0.14 0.00 -2.27 0.00 0.00 64.05 60.65 3b83 n THR 54 Cb 0.51 0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 69.38 3b83 n THR 54 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3b83 s SER 55 N -0.80 -0.48 -0.02 3.42 0.15 -1.26 -1.81 113.70 112.89 3b83 s SER 55 Ca 0.10 0.85 0.04 0.00 0.70 0.00 0.00 55.95 57.63 3b83 s SER 55 Cb 0.06 0.88 -0.01 0.00 -1.71 0.00 0.00 66.02 65.24 3b83 s SER 55 CO 0.08 -0.24 -0.12 -0.76 1.20 0.00 0.00 173.24 173.39 3b83 s LEU 56 N -0.06 1.95 -0.23 3.45 1.43 0.13 -4.99 118.68 120.36 3b83 s LEU 56 Ca -0.03 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 3b83 s LEU 56 Cb -0.03 -0.66 -0.02 0.00 0.03 0.00 0.00 46.19 45.50 3b83 s LEU 56 CO 0.02 0.13 0.01 -0.89 0.23 0.00 0.00 176.35 175.86 3b83 s THR 57 N -0.14 3.85 -0.22 5.49 2.01 -1.26 0.30 115.64 125.68 3b83 s THR 57 Ca 0.02 -0.33 -0.14 0.00 0.31 0.00 0.00 61.69 61.55 3b83 s THR 57 Cb -0.07 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 3b83 s THR 57 CO 0.00 0.38 0.33 -0.76 -0.69 0.00 0.00 174.62 173.89 3b83 s LEU 58 N 1.50 4.14 0.50 4.42 1.43 0.98 -4.95 118.68 126.70 3b83 s LEU 58 Ca 0.06 0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 3b83 s LEU 58 Cb -0.15 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 3b83 s LEU 58 CO 0.00 -0.05 0.11 0.42 0.23 0.00 0.00 176.35 177.06 3b83 s THR 59 N 1.30 1.47 -1.28 5.49 -4.23 -1.26 -1.12 115.64 116.01 3b83 s THR 59 Ca 0.16 -1.86 -0.03 0.00 -1.18 0.00 0.00 61.69 58.77 3b83 s THR 59 Cb -0.14 -2.33 0.01 0.00 1.34 0.00 0.00 72.50 71.38 3b83 s THR 59 CO 0.07 0.00 1.00 -3.20 -0.54 0.00 0.00 174.62 171.95 3b83 n ASN 60 N -1.34 -3.19 -4.91 3.99 5.15 -1.01 -4.94 115.26 109.01 3b83 n ASN 60 Ca -0.12 -0.64 -0.27 0.00 -0.60 0.00 0.00 54.58 52.95 3b83 n ASN 60 Cb 0.66 -4.84 -0.04 0.00 -0.53 0.00 0.00 39.78 35.03 3b83 n ASN 60 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3b83 s LEU 61 N -6.72 4.22 0.25 1.20 1.43 -0.16 -5.06 118.68 113.85 3b83 s LEU 61 Ca 0.20 0.12 -0.24 0.00 -1.03 0.00 0.00 54.13 53.17 3b83 s LEU 61 Cb -0.09 -2.81 -0.09 0.00 0.03 0.00 0.00 46.19 43.24 3b83 s LEU 61 CO 0.75 0.07 0.84 -0.70 0.23 0.00 0.00 176.35 177.54 3b83 s GLU 62 N -3.09 4.50 0.67 1.70 2.12 -1.26 -4.35 118.70 118.99 3b83 s GLU 62 Ca 0.34 1.16 -0.16 0.00 0.36 0.00 0.00 54.97 56.66 3b83 s GLU 62 Cb -0.11 -2.97 0.01 0.00 0.26 0.00 0.00 34.13 31.32 3b83 s GLU 62 CO 0.27 0.40 1.19 -2.14 -0.54 0.00 0.00 175.26 174.44 3b83 s PRO 63 N -1.75 2.52 -0.87 4.30 0.02 -1.18 -3.28 135.00 134.77 3b83 s PRO 63 Ca 0.44 1.71 -0.02 0.00 0.02 0.00 0.00 61.00 63.14 3b83 s PRO 63 Cb -0.20 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.46 3b83 s PRO 63 CO 0.24 -1.53 0.11 -1.71 -0.33 0.00 0.00 177.00 173.78 3b83 n ASN 64 N -2.32 -3.15 -4.70 2.53 2.85 0.86 -4.95 115.26 106.38 3b83 n ASN 64 Ca 0.13 0.13 -0.29 0.00 -0.11 0.00 0.00 54.58 54.43 3b83 n ASN 64 Cb 0.50 -2.70 -0.08 0.00 1.24 0.00 0.00 39.78 38.75 3b83 n ASN 64 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3b83 s THR 65 N -2.54 4.06 -0.23 -0.44 2.01 -1.20 -4.85 115.64 112.44 3b83 s THR 65 Ca 0.09 -1.03 -0.09 0.00 0.31 0.00 0.00 61.69 60.97 3b83 s THR 65 Cb -0.05 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 3b83 s THR 65 CO 0.12 0.08 0.12 -0.89 -0.69 0.00 0.00 174.62 173.35 3b83 s THR 66 N -1.40 4.96 0.25 -0.82 2.01 -1.26 -0.72 115.64 118.66 3b83 s THR 66 Ca 0.27 0.04 0.11 0.00 0.31 0.00 0.00 61.69 62.42 3b83 s THR 66 Cb -0.11 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 3b83 s THR 66 CO 0.19 0.36 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.00 3b83 s TYR 67 N 1.10 2.37 0.02 4.92 1.51 0.14 -1.72 117.35 125.69 3b83 s TYR 67 Ca 0.06 -0.31 0.05 0.00 -1.01 0.00 0.00 57.07 55.85 3b83 s TYR 67 Cb -0.14 -1.08 -0.02 0.00 -0.11 0.00 0.00 41.96 40.61 3b83 s TYR 67 CO 0.04 0.64 -0.15 -2.00 -1.11 0.00 0.00 175.55 172.97 3b83 s GLU 68 N -3.27 1.10 -0.05 -0.62 2.12 -0.78 -0.82 118.70 116.37 3b83 s GLU 68 Ca 0.27 -0.69 0.04 0.00 0.36 0.00 0.00 54.97 54.95 3b83 s GLU 68 Cb -0.06 -1.10 0.00 0.00 0.26 0.00 0.00 34.13 33.23 3b83 s GLU 68 CO 0.14 0.29 -0.17 0.42 -0.54 0.00 0.00 175.26 175.40 3b83 s ILE 69 N -0.64 1.45 -0.08 -3.70 1.01 0.05 -3.04 121.20 116.25 3b83 s ILE 69 Ca 0.04 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.03 3b83 s ILE 69 Cb -0.07 -1.26 -0.00 0.00 0.01 0.00 0.00 42.46 41.14 3b83 s ILE 69 CO 0.01 0.42 -0.24 -0.13 0.00 0.00 0.00 174.94 174.99 3b83 s ARG 70 N 0.18 2.77 -0.11 2.79 0.52 0.28 -1.93 118.95 123.46 3b83 s ARG 70 Ca -0.07 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 3b83 s ARG 70 Cb -0.13 -2.20 0.02 0.00 0.52 0.00 0.00 34.95 33.16 3b83 s ARG 70 CO 0.03 0.27 -0.10 0.42 0.02 0.00 0.00 175.30 175.94 3b83 s ILE 71 N 0.11 1.17 0.11 1.52 1.01 -0.58 0.15 121.20 124.70 3b83 s ILE 71 Ca -0.12 -0.41 0.08 0.00 0.00 0.00 0.00 60.65 60.20 3b83 s ILE 71 Cb -0.16 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 3b83 s ILE 71 CO 0.06 0.39 -0.19 -0.69 0.00 0.00 0.00 174.94 174.51 3b83 s VAL 72 N 1.37 1.63 0.07 2.92 1.01 0.20 -1.69 120.40 125.91 3b83 s VAL 72 Ca -0.00 -1.60 0.04 0.00 0.00 0.00 0.00 61.98 60.41 3b83 s VAL 72 Cb -0.14 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3b83 s VAL 72 CO -0.05 -0.16 0.01 0.00 0.00 0.00 0.00 175.10 174.90 3b83 s ALA 73 N -1.42 3.31 -0.02 5.51 0.00 -1.26 0.00 121.76 127.88 3b83 s ALA 73 Ca 0.07 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.99 3b83 s ALA 73 Cb -0.09 -1.25 -0.00 0.00 0.00 0.00 0.00 23.12 21.79 3b83 s ALA 73 CO 0.04 0.69 -0.10 -0.98 0.00 0.00 0.00 175.76 175.42 3b83 s ARG 74 N -2.13 0.96 -0.15 0.00 1.70 -0.34 0.02 118.95 118.99 3b83 s ARG 74 Ca 0.25 -0.34 -0.12 0.00 -0.47 0.00 0.00 55.73 55.04 3b83 s ARG 74 Cb -0.12 -0.90 0.04 0.00 -0.57 0.00 0.00 34.95 33.41 3b83 s ARG 74 CO 0.17 0.16 0.40 1.21 -1.08 0.00 0.00 175.30 176.15 3b83 s ASN 75 N 0.04 -0.43 1.72 -2.89 2.47 -0.34 -2.13 114.94 113.38 3b83 s ASN 75 Ca -0.01 0.81 0.00 0.00 0.42 0.00 0.00 52.86 54.09 3b83 s ASN 75 Cb -0.07 0.79 0.00 0.00 -1.45 0.00 0.00 41.25 40.52 3b83 s ASN 75 CO 0.00 -0.15 0.00 0.61 -3.72 0.00 0.00 177.10 173.84 3b83 n GLY 76 N 3.24 1.97 1.06 1.21 0.00 -1.26 -1.01 105.19 110.40 3b83 n GLY 76 Ca -0.16 0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3b83 n GLY 76 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3b83 n GLN 77 N 3.18 0.75 -4.89 1.61 1.13 -1.26 -5.06 117.38 112.85 3b83 n GLN 77 Ca 0.00 -2.60 -0.29 0.00 -1.94 0.00 0.00 57.00 52.17 3b83 n GLN 77 Cb 0.00 -0.77 -0.15 0.00 0.11 0.00 0.00 30.24 29.43 3b83 n GLN 77 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3b83 s GLN 78 N -1.53 1.73 -0.06 -1.09 -0.21 -0.18 -5.13 119.66 113.19 3b83 s GLN 78 Ca 0.35 -1.04 0.02 0.00 0.02 0.00 0.00 55.36 54.72 3b83 s GLN 78 Cb 0.38 -1.86 -0.03 0.00 1.00 0.00 0.00 33.01 32.50 3b83 s GLN 78 CO -0.12 0.48 -0.12 0.71 -2.12 0.00 0.00 175.29 174.13 3b83 s TYR 79 N -0.77 2.78 0.70 0.91 1.51 -1.26 -1.19 117.35 120.02 3b83 s TYR 79 Ca 0.11 -0.14 -0.07 0.00 -1.01 0.00 0.00 57.07 55.96 3b83 s TYR 79 Cb -0.10 -1.67 0.06 0.00 -0.11 0.00 0.00 41.96 40.14 3b83 s TYR 79 CO 0.02 0.20 1.01 -1.54 -1.11 0.00 0.00 175.55 174.13 3b83 s SER 80 N -0.67 4.89 0.81 2.29 1.04 0.10 -4.66 113.70 117.51 3b83 s SER 80 Ca 0.10 0.52 -0.10 0.00 0.48 0.00 0.00 55.95 56.95 3b83 s SER 80 Cb -0.11 -1.20 0.08 0.00 0.10 0.00 0.00 66.02 64.89 3b83 s SER 80 CO 0.01 -1.55 1.11 -2.16 0.98 0.00 0.00 173.24 171.62 3b83 s PRO 81 N -5.24 1.91 0.45 4.02 0.04 -1.26 -4.53 135.00 130.38 3b83 s PRO 81 Ca 0.59 1.27 -0.10 0.00 0.04 0.00 0.00 61.00 62.80 3b83 s PRO 81 Cb -0.11 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 3b83 s PRO 81 CO 0.45 -1.92 0.81 -1.25 0.04 0.00 0.00 177.00 175.13 3b83 s PRO 82 N -4.84 3.73 -0.17 0.56 0.04 -1.26 -4.59 135.00 128.48 3b83 s PRO 82 Ca 0.63 0.48 -0.02 0.00 0.04 0.00 0.00 61.00 62.12 3b83 s PRO 82 Cb -0.19 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.00 3b83 s PRO 82 CO 0.57 -0.14 -0.09 0.08 0.04 0.00 0.00 177.00 177.46 3b83 s VAL 83 N -2.54 3.21 0.29 -0.36 1.01 -0.68 -4.93 120.40 116.39 3b83 s VAL 83 Ca 0.51 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3b83 s VAL 83 Cb -0.10 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 3b83 s VAL 83 CO 0.36 0.49 0.10 -0.94 0.00 0.00 0.00 175.10 175.11 3b83 s SER 84 N 0.78 1.60 0.09 3.32 1.04 -1.26 -1.52 113.70 117.74 3b83 s SER 84 Ca -0.04 -1.44 -0.26 0.00 0.48 0.00 0.00 55.95 54.70 3b83 s SER 84 Cb -0.15 0.18 0.08 0.00 0.10 0.00 0.00 66.02 66.23 3b83 s SER 84 CO 0.01 -0.75 0.82 0.28 0.98 0.00 0.00 173.24 174.58 3b83 s THR 85 N -3.60 0.00 0.17 2.02 -1.32 -0.81 -4.99 115.64 107.10 3b83 s THR 85 Ca 0.36 -0.21 0.06 0.00 -1.21 0.00 0.00 61.69 60.69 3b83 s THR 85 Cb 0.07 -1.28 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 3b83 s THR 85 CO 0.15 0.00 -0.13 0.42 -2.21 0.00 0.00 174.62 172.84 3b83 s THR 86 N -3.37 1.49 0.15 5.08 -4.23 -1.26 -0.77 115.64 112.73 3b83 s THR 86 Ca 0.06 -2.04 -0.20 0.00 -1.18 0.00 0.00 61.69 58.33 3b83 s THR 86 Cb -0.01 -1.86 0.05 0.00 1.34 0.00 0.00 72.50 72.01 3b83 s THR 86 CO -0.06 -0.58 0.52 0.72 -0.54 0.00 0.00 174.62 174.67 3b83 s PHE 87 N -2.84 -0.38 -0.06 3.99 -0.12 -0.00 -4.99 117.98 113.58 3b83 s PHE 87 Ca 0.17 0.11 0.04 0.00 -0.05 0.00 0.00 56.93 57.20 3b83 s PHE 87 Cb -0.01 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.82 3b83 s PHE 87 CO 0.04 -0.80 -0.17 0.99 -0.05 0.00 0.00 175.22 175.23 3b83 s THR 88 N -3.78 1.48 0.77 -4.49 2.01 -1.26 0.23 115.64 110.60 3b83 s THR 88 Ca 0.02 -0.71 -0.12 0.00 0.31 0.00 0.00 61.69 61.19 3b83 s THR 88 Cb -0.00 -1.29 0.06 0.00 0.01 0.00 0.00 72.50 71.28 3b83 s THR 88 CO -0.12 0.43 1.14 0.42 -0.69 0.00 0.00 174.62 175.80 3b83 s THR 89 N 0.29 2.71 1.47 -0.82 -4.23 0.10 -4.92 115.64 110.24 3b83 s THR 89 Ca -0.10 0.28 -0.24 0.00 -1.18 0.00 0.00 61.69 60.45 3b83 s THR 89 Cb -0.14 -2.68 0.38 0.00 1.34 0.00 0.00 72.50 71.40 3b83 s THR 89 CO 0.04 -0.25 0.90 -0.83 -0.54 0.00 0.00 174.62 173.93 3b83 s GLY 90 N -2.68 1.38 0.09 3.99 0.00 0.63 -3.44 107.32 107.30 3b83 s GLY 90 Ca 0.67 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 44.58 3b83 s GLY 90 CO 0.51 0.21 -0.05 -1.35 0.00 0.00 0.00 173.10 172.42 3b83 s SER 91 N -3.08 0.98 -0.66 1.64 1.04 -1.26 -0.10 113.70 112.27 3b83 s SER 91 Ca 0.68 -1.02 -0.26 0.00 0.48 0.00 0.00 55.95 55.82 3b83 s SER 91 Cb -0.13 0.13 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 3b83 s SER 91 CO 0.58 -0.51 1.74 -1.48 0.98 0.00 0.00 173.24 174.54 3b83 s LEU 92 N -3.03 3.26 -0.00 2.42 2.34 -1.26 -4.93 118.68 117.48 3b83 s LEU 92 Ca 0.12 0.11 -0.01 0.00 0.06 0.00 0.00 54.13 54.41 3b83 s LEU 92 Cb 0.06 -2.54 -0.01 0.00 -0.56 0.00 0.00 46.19 43.14 3b83 s LEU 92 CO -0.05 -2.27 0.63 -0.33 -1.06 0.00 0.00 176.35 173.27 3b83 h GLU 93 N 13.72 -0.05 -7.40 1.48 4.39 -2.06 -3.45 114.58 121.21 3b83 h GLU 93 Ca -0.24 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.96 3b83 h GLU 93 Cb 1.13 0.01 0.09 0.00 -0.10 0.00 0.00 28.75 29.88 3b83 h GLU 93 CO 1.23 -0.03 0.38 -1.01 -1.16 0.00 0.00 179.01 178.42 3b83 s HIS 94 N -2.34 3.19 0.83 4.33 3.76 -1.26 -5.05 115.29 118.75 3b83 s HIS 94 Ca -0.01 1.21 -0.08 0.00 -0.15 0.00 0.00 55.06 56.03 3b83 s HIS 94 Cb 0.00 -2.97 0.16 0.00 1.11 0.00 0.00 32.58 30.87 3b83 s HIS 94 CO 0.02 -1.27 1.15 -1.58 -0.85 0.00 0.00 174.74 172.21 3b83 s HIS 95 N -3.19 1.71 0.09 1.40 2.46 -1.26 -5.09 115.29 111.40 3b83 s HIS 95 Ca 0.58 0.07 -0.01 0.00 0.47 0.00 0.00 55.06 56.17 3b83 s HIS 95 Cb -0.13 -3.54 0.02 0.00 -0.13 0.00 0.00 32.58 28.80 3b83 s HIS 95 CO 0.54 -2.13 0.11 0.72 -2.47 0.00 0.00 174.74 171.51 3b83 n HIS 96 N -3.28 -3.79 0.00 3.88 8.25 -1.26 -5.08 115.22 113.94 3b83 n HIS 96 Ca 0.14 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3b83 n HIS 96 Cb 0.60 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.62 3b83 n HIS 96 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3b83 n HIS 97 N -2.28 0.00 0.00 4.41 8.25 -1.26 -5.28 115.22 119.06 3b83 n HIS 97 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3b83 n HIS 97 Cb 0.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.16 3b83 n HIS 97 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70