#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 -1.17 0.04 4.03 0.20 -1.26 -5.11 118.68 115.41 3b83 s LEU 1 Ca 0.00 -0.05 -0.38 0.00 0.69 0.00 0.00 54.13 54.39 3b83 s LEU 1 Cb 0.00 1.55 -0.19 0.00 -0.43 0.00 0.00 46.19 47.12 3b83 s LEU 1 CO 0.00 -0.32 1.07 0.00 -0.29 0.00 0.00 176.35 176.81 3b83 n GLN 2 N 5.39 0.26 -2.27 1.98 1.13 -1.26 -4.31 117.38 118.31 3b83 n GLN 2 Ca 0.02 0.10 -0.26 0.00 -1.94 0.00 0.00 57.00 54.91 3b83 n GLN 2 Cb 0.51 -1.57 0.05 0.00 0.11 0.00 0.00 30.24 29.34 3b83 n GLN 2 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3b83 s PRO 3 N -0.03 2.56 0.97 -1.09 0.04 -1.26 -4.71 135.00 131.48 3b83 s PRO 3 Ca 0.86 -0.09 -0.12 0.00 0.04 0.00 0.00 61.00 61.69 3b83 s PRO 3 Cb -1.16 -2.20 0.17 0.00 0.04 0.00 0.00 34.50 31.35 3b83 s PRO 3 CO 0.55 -0.99 1.10 -2.14 0.04 0.00 0.00 177.00 175.56 3b83 s PRO 4 N -5.14 0.67 0.31 0.56 0.02 -1.26 -4.30 135.00 125.85 3b83 s PRO 4 Ca 0.57 0.57 -0.11 0.00 0.02 0.00 0.00 61.00 62.06 3b83 s PRO 4 Cb -0.11 -1.76 0.04 0.00 0.02 0.00 0.00 34.50 32.70 3b83 s PRO 4 CO 0.45 -2.58 0.60 1.97 -0.33 0.00 0.00 177.00 177.10 3b83 n PHE 5 N -4.08 -1.99 -3.75 6.54 1.16 -0.76 -4.71 117.46 109.85 3b83 n PHE 5 Ca 0.06 -1.49 -0.24 0.00 -1.87 0.00 0.00 57.45 53.91 3b83 n PHE 5 Cb 0.57 0.70 0.03 0.00 -1.61 0.00 0.00 39.48 39.17 3b83 n PHE 5 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 3b83 n ASN 6 N -1.45 -2.10 -4.72 5.98 2.85 -1.26 -2.09 115.26 112.47 3b83 n ASN 6 Ca -0.06 -0.81 -0.42 0.00 -0.11 0.00 0.00 54.58 53.18 3b83 n ASN 6 Cb 0.46 -4.02 -0.03 0.00 1.24 0.00 0.00 39.78 37.43 3b83 n ASN 6 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 3b83 s ILE 7 N -3.58 3.87 -0.05 -1.44 2.07 -1.26 -4.44 121.20 116.36 3b83 s ILE 7 Ca 0.17 1.45 -0.00 0.00 -1.41 0.00 0.00 60.65 60.85 3b83 s ILE 7 Cb -0.08 -3.92 0.03 0.00 0.13 0.00 0.00 42.46 38.61 3b83 s ILE 7 CO 0.82 0.17 -0.01 -0.54 -1.91 0.00 0.00 174.94 173.47 3b83 s LYS 8 N 0.43 0.57 -0.20 3.50 1.02 0.26 -4.98 119.74 120.35 3b83 s LYS 8 Ca 0.55 0.04 -0.13 0.00 0.02 0.00 0.00 55.97 56.46 3b83 s LYS 8 Cb -0.30 -0.78 -0.05 0.00 -0.52 0.00 0.00 37.83 36.18 3b83 s LYS 8 CO 0.32 -0.19 0.26 0.08 -0.92 0.00 0.00 175.35 174.90 3b83 s VAL 9 N 1.40 5.30 0.36 3.17 1.01 -1.26 -1.54 120.40 128.84 3b83 s VAL 9 Ca -0.04 0.43 0.05 0.00 0.00 0.00 0.00 61.98 62.42 3b83 s VAL 9 Cb -0.13 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3b83 s VAL 9 CO -0.03 0.34 0.20 0.28 0.00 0.00 0.00 175.10 175.90 3b83 s THR 10 N 0.90 0.27 -1.47 3.92 -1.32 0.14 -4.91 115.64 113.16 3b83 s THR 10 Ca 0.13 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.59 3b83 s THR 10 Cb -0.13 -2.42 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 3b83 s THR 10 CO 0.04 0.00 0.20 0.59 -2.21 0.00 0.00 174.62 173.25 3b83 n ASN 11 N -1.40 0.16 -4.73 8.08 4.13 -1.26 -0.91 115.26 119.34 3b83 n ASN 11 Ca 0.01 -1.17 -0.41 0.00 1.68 0.00 0.00 54.58 54.69 3b83 n ASN 11 Cb 0.64 -2.20 -0.04 0.00 -1.54 0.00 0.00 39.78 36.64 3b83 n ASN 11 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3b83 s ILE 12 N -4.17 4.16 0.00 2.41 1.01 -1.26 -4.23 121.20 119.11 3b83 s ILE 12 Ca 0.03 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.45 3b83 s ILE 12 Cb -0.01 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3b83 s ILE 12 CO 0.95 0.26 0.00 0.35 0.00 0.00 0.00 174.94 176.50 3b83 n THR 13 N 2.81 0.00 -0.32 2.92 -2.24 -0.30 -4.70 114.28 112.45 3b83 n THR 13 Ca 0.04 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.81 3b83 n THR 13 Cb 0.47 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.83 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 0.92 -1.44 3.22 -0.00 -1.92 -0.93 115.31 115.17 3b83 h LEU 14 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3b83 h LEU 14 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.46 3b83 h LEU 14 CO 0.00 0.62 0.00 0.35 -0.00 0.00 0.00 178.44 179.41 3b83 n THR 15 N -4.55 0.27 -4.17 0.22 -2.24 -1.26 -3.14 114.28 99.40 3b83 n THR 15 Ca 0.12 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 3b83 n THR 15 Cb 0.11 0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 69.21 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 -0.27 0.32 0.02 4.28 -4.23 -1.26 -1.69 115.64 112.80 3b83 s THR 16 Ca 0.00 -1.92 -0.28 0.00 -1.18 0.00 0.00 61.69 58.31 3b83 s THR 16 Cb 0.00 -2.01 0.07 0.00 1.34 0.00 0.00 72.50 71.90 3b83 s THR 16 CO 0.00 -0.53 0.64 0.00 -0.54 0.00 0.00 174.62 174.19 3b83 s ALA 17 N -3.89 -1.69 -0.12 3.99 0.00 -0.54 -1.15 121.76 118.35 3b83 s ALA 17 Ca 0.22 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 53.19 3b83 s ALA 17 Cb 0.07 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 3b83 s ALA 17 CO 0.01 -0.49 -0.05 0.08 0.00 0.00 0.00 175.76 175.31 3b83 s VAL 18 N -2.00 3.85 -0.06 0.00 1.01 -0.08 -0.54 120.40 122.58 3b83 s VAL 18 Ca -0.07 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.58 3b83 s VAL 18 Cb -0.00 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 3b83 s VAL 18 CO 0.03 0.53 -0.24 -0.69 0.00 0.00 0.00 175.10 174.73 3b83 s VAL 19 N -0.08 2.15 0.05 2.92 1.01 -0.11 0.23 120.40 126.57 3b83 s VAL 19 Ca 0.02 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 3b83 s VAL 19 Cb -0.13 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 3b83 s VAL 19 CO 0.03 0.57 0.08 0.42 0.00 0.00 0.00 175.10 176.20 3b83 s THR 20 N -0.22 0.15 0.01 3.92 -4.23 -0.59 -1.16 115.64 113.52 3b83 s THR 20 Ca -0.02 -1.24 -0.00 0.00 -1.18 0.00 0.00 61.69 59.25 3b83 s THR 20 Cb -0.13 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.66 3b83 s THR 20 CO 0.03 -0.68 0.02 -2.67 -0.54 0.00 0.00 174.62 170.77 3b83 n TRP 21 N 0.56 -0.94 -4.31 3.99 2.14 -0.60 -0.57 117.44 117.71 3b83 n TRP 21 Ca -0.18 -0.04 -0.20 0.00 2.07 0.00 0.00 57.50 59.16 3b83 n TRP 21 Cb 0.59 0.02 -0.15 0.00 -0.81 0.00 0.00 31.31 30.96 3b83 n TRP 21 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 3b83 s GLN 22 N -2.00 0.86 0.62 -2.67 -0.21 -0.89 -4.81 119.66 110.56 3b83 s GLN 22 Ca 0.00 -0.25 -0.14 0.00 0.02 0.00 0.00 55.36 55.00 3b83 s GLN 22 Cb -0.00 -0.82 -0.02 0.00 1.00 0.00 0.00 33.01 33.17 3b83 s GLN 22 CO 0.00 0.07 1.05 -2.14 -2.12 0.00 0.00 175.29 172.16 3b83 s PRO 23 N 0.30 3.23 0.95 2.91 0.02 -1.26 -1.83 135.00 139.32 3b83 s PRO 23 Ca -0.04 1.10 -0.11 0.00 0.02 0.00 0.00 61.00 61.97 3b83 s PRO 23 Cb -0.09 -2.03 0.17 0.00 0.02 0.00 0.00 34.50 32.57 3b83 s PRO 23 CO 0.00 -0.87 1.12 -2.14 -0.33 0.00 0.00 177.00 174.78 3b83 s PRO 24 N -4.40 0.73 0.18 5.54 0.02 -1.26 -4.81 135.00 131.00 3b83 s PRO 24 Ca 0.61 1.39 -0.13 0.00 0.02 0.00 0.00 61.00 62.90 3b83 s PRO 24 Cb -0.15 -1.71 0.16 0.00 0.02 0.00 0.00 34.50 32.83 3b83 s PRO 24 CO 0.43 -2.78 1.76 0.82 -0.33 0.00 0.00 177.00 176.90 3b83 h ILE 25 N -1.97 0.88 -3.21 2.83 2.04 -1.91 -3.42 117.51 112.75 3b83 h ILE 25 Ca -0.47 -0.14 -0.58 0.00 1.00 0.00 0.00 64.86 64.67 3b83 h ILE 25 Cb 1.28 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 3b83 h ILE 25 CO 0.44 0.08 -0.07 -0.76 0.00 0.00 0.00 178.15 177.83 3b83 s LEU 26 N -10.33 4.49 0.58 1.44 1.43 -1.26 -5.04 118.68 110.00 3b83 s LEU 26 Ca -0.13 1.18 -0.18 0.00 -1.03 0.00 0.00 54.13 53.97 3b83 s LEU 26 Cb 0.14 -2.90 -0.11 0.00 0.03 0.00 0.00 46.19 43.35 3b83 s LEU 26 CO 0.73 0.26 0.15 -2.65 0.23 0.00 0.00 176.35 175.07 3b83 n PRO 27 N 1.59 0.22 -3.90 1.29 -0.02 -1.26 -5.03 135.00 127.89 3b83 n PRO 27 Ca -0.10 0.09 -0.09 0.00 -2.02 0.00 0.00 63.50 61.38 3b83 n PRO 27 Cb 0.51 -1.36 -0.07 0.00 -0.02 0.00 0.00 33.50 32.56 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 -1.89 0.11 0.18 4.25 -4.36 -1.26 -5.04 121.20 113.20 3b83 s ILE 28 Ca 0.61 -1.28 0.04 0.00 -0.26 0.00 0.00 60.65 59.76 3b83 s ILE 28 Cb -0.44 -1.55 -0.12 0.00 1.25 0.00 0.00 42.46 41.59 3b83 s ILE 28 CO 0.62 -0.51 1.42 -0.33 0.24 0.00 0.00 174.94 176.38 3b83 h GLU 29 N 2.67 0.17 -2.03 0.37 5.08 -1.76 -3.42 114.58 115.66 3b83 h GLU 29 Ca -0.33 -0.17 0.21 0.00 -1.00 0.00 0.00 59.36 58.07 3b83 h GLU 29 Cb 1.21 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.39 3b83 h GLU 29 CO 0.53 0.89 0.60 0.20 -1.00 0.00 0.00 179.01 180.23 3b83 s GLY 30 N -4.49 -0.32 -0.07 -3.84 0.00 -0.98 -4.67 107.32 92.94 3b83 s GLY 30 Ca -0.03 0.55 0.03 0.00 0.00 0.00 0.00 44.72 45.27 3b83 s GLY 30 CO 0.82 0.13 -0.18 -0.42 0.00 0.00 0.00 173.10 173.45 3b83 s ILE 31 N -2.97 1.56 -0.21 0.90 1.01 0.80 -1.54 121.20 120.76 3b83 s ILE 31 Ca 0.11 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 3b83 s ILE 31 Cb 0.00 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 3b83 s ILE 31 CO -0.02 0.45 0.01 -0.76 0.00 0.00 0.00 174.94 174.62 3b83 s LEU 32 N 0.42 3.29 -0.23 2.97 1.43 0.61 0.00 118.68 127.18 3b83 s LEU 32 Ca -0.14 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 3b83 s LEU 32 Cb -0.16 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.24 3b83 s LEU 32 CO 0.06 0.05 -0.08 -0.69 0.23 0.00 0.00 176.35 175.92 3b83 s VAL 33 N 1.07 2.83 -0.06 -1.59 1.01 -0.65 -0.20 120.40 122.81 3b83 s VAL 33 Ca 0.02 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3b83 s VAL 33 Cb -0.14 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3b83 s VAL 33 CO 0.02 0.29 -0.13 -0.89 0.00 0.00 0.00 175.10 174.38 3b83 s THR 34 N 1.34 3.16 0.02 3.92 2.01 -0.04 -0.93 115.64 125.12 3b83 s THR 34 Ca 0.02 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 61.19 3b83 s THR 34 Cb -0.16 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.12 3b83 s THR 34 CO -0.06 0.58 0.33 0.72 -0.69 0.00 0.00 174.62 175.51 3b83 s PHE 35 N -0.60 -0.17 -2.21 4.92 -0.12 0.05 -1.31 117.98 118.54 3b83 s PHE 35 Ca 0.09 0.14 0.00 0.00 -0.05 0.00 0.00 56.93 57.11 3b83 s PHE 35 Cb -0.11 0.12 0.00 0.00 -0.63 0.00 0.00 43.02 42.40 3b83 s PHE 35 CO 0.01 -0.48 0.00 0.41 -0.05 0.00 0.00 175.22 175.11 3b83 n GLY 36 N 0.81 -1.69 3.77 1.99 0.00 -1.08 -0.71 105.19 108.27 3b83 n GLY 36 Ca -0.20 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.60 4.31 0.07 1.61 0.52 -1.25 -1.57 118.95 121.05 3b83 s ARG 37 Ca 0.00 2.27 -0.20 0.00 -0.52 0.00 0.00 55.73 57.28 3b83 s ARG 37 Cb 0.00 -3.06 -0.10 0.00 0.52 0.00 0.00 34.95 32.31 3b83 s ARG 37 CO 0.00 -0.26 1.53 -0.22 0.02 0.00 0.00 175.30 176.37 3b83 h LYS 38 N 3.54 0.33 -1.83 3.54 3.64 -1.75 -3.07 116.57 120.97 3b83 h LYS 38 Ca -0.49 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 58.78 3b83 h LYS 38 Cb 1.23 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3b83 h LYS 38 CO 0.67 0.50 0.03 0.09 -2.27 0.00 0.00 179.45 178.46 3b83 n ASN 39 N -4.73 5.07 -3.65 4.20 3.02 -1.26 -4.79 115.26 113.13 3b83 n ASN 39 Ca -0.04 -2.39 -0.09 0.00 -0.03 0.00 0.00 54.58 52.02 3b83 n ASN 39 Cb 0.20 -1.03 -0.07 0.00 -0.61 0.00 0.00 39.78 38.26 3b83 n ASN 39 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3b83 s ASP 40 N 1.74 -0.85 -0.18 6.41 -1.08 -1.16 -5.04 116.67 116.51 3b83 s ASP 40 Ca 0.02 1.42 0.04 0.00 -0.52 0.00 0.00 52.55 53.51 3b83 s ASP 40 Cb 0.02 1.33 -0.22 0.00 -1.46 0.00 0.00 42.92 42.59 3b83 s ASP 40 CO 0.00 -0.23 0.11 -2.65 0.52 0.00 0.00 175.17 172.92 3b83 n PRO 41 N 3.89 0.69 -0.21 4.34 -0.02 -1.26 -4.37 135.00 138.06 3b83 n PRO 41 Ca -0.19 0.17 -0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3b83 n PRO 41 Cb 0.58 -1.61 0.23 0.00 -0.02 0.00 0.00 33.50 32.68 3b83 n PRO 41 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3b83 h SER 42 N 0.02 0.86 -2.64 2.55 4.64 -1.96 -3.37 113.55 113.65 3b83 h SER 42 Ca -0.49 -0.05 -0.69 0.00 -0.47 0.00 0.00 61.79 60.09 3b83 h SER 42 Cb 2.02 -0.22 -0.18 0.00 -0.31 0.00 0.00 62.40 63.71 3b83 h SER 42 CO 0.00 0.66 0.62 -0.62 -0.87 0.00 0.00 176.83 176.62 3b83 s ASP 43 N -6.39 6.50 -0.18 4.97 2.15 -1.26 -4.97 116.67 117.48 3b83 s ASP 43 Ca -0.11 -1.83 -0.07 0.00 0.43 0.00 0.00 52.55 50.98 3b83 s ASP 43 Cb 0.17 -2.37 0.08 0.00 -0.30 0.00 0.00 42.92 40.50 3b83 s ASP 43 CO 0.79 -1.10 0.39 -0.70 -0.17 0.00 0.00 175.17 174.38 3b83 s GLU 44 N 2.71 0.29 -0.17 4.34 2.12 -1.26 -3.78 118.70 122.96 3b83 s GLU 44 Ca 0.27 0.96 -0.03 0.00 0.36 0.00 0.00 54.97 56.52 3b83 s GLU 44 Cb -0.10 0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.50 3b83 s GLU 44 CO -0.04 -0.25 -0.05 0.99 -0.54 0.00 0.00 175.26 175.37 3b83 s THR 45 N 2.46 3.59 -0.10 -1.70 2.01 0.11 -4.93 115.64 117.08 3b83 s THR 45 Ca -0.02 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.53 3b83 s THR 45 Cb -0.12 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 3b83 s THR 45 CO -0.12 0.48 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.29 3b83 s THR 46 N 0.69 3.32 -0.01 -0.82 2.01 -1.26 -0.77 115.64 118.80 3b83 s THR 46 Ca -0.03 -0.59 0.07 0.00 0.31 0.00 0.00 61.69 61.45 3b83 s THR 46 Cb -0.15 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 3b83 s THR 46 CO 0.02 0.55 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.59 3b83 s VAL 47 N -0.15 1.75 -0.38 3.82 1.01 -0.11 -4.98 120.40 121.36 3b83 s VAL 47 Ca 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 3b83 s VAL 47 Cb -0.13 -1.46 0.07 0.00 0.00 0.00 0.00 36.38 34.85 3b83 s VAL 47 CO 0.03 0.45 0.18 -0.62 0.00 0.00 0.00 175.10 175.13 3b83 s ASP 48 N -0.65 5.40 0.36 3.32 2.15 -1.26 -1.64 116.67 124.34 3b83 s ASP 48 Ca 0.09 -1.47 0.07 0.00 0.43 0.00 0.00 52.55 51.67 3b83 s ASP 48 Cb -0.09 -1.89 -0.02 0.00 -0.30 0.00 0.00 42.92 40.62 3b83 s ASP 48 CO -0.00 -0.45 0.33 -0.76 -0.17 0.00 0.00 175.17 174.12 3b83 s LEU 49 N 1.35 3.56 0.37 -1.34 1.43 0.10 -4.91 118.68 119.24 3b83 s LEU 49 Ca 0.02 -0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 52.47 3b83 s LEU 49 Cb -0.22 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.74 3b83 s LEU 49 CO 0.01 -0.44 0.72 0.42 0.23 0.00 0.00 176.35 177.29 3b83 s THR 50 N -2.34 4.82 -1.46 5.49 -4.23 -1.26 -0.14 115.64 116.52 3b83 s THR 50 Ca 0.43 0.54 0.08 0.00 -1.18 0.00 0.00 61.69 61.56 3b83 s THR 50 Cb -0.05 -3.72 0.14 0.00 1.34 0.00 0.00 72.50 70.21 3b83 s THR 50 CO 0.27 -0.44 1.10 -1.54 -0.54 0.00 0.00 174.62 173.46 3b83 n SER 51 N -1.13 0.00 0.16 3.99 3.41 -1.26 -2.07 113.62 116.73 3b83 n SER 51 Ca 0.02 0.15 0.01 0.00 -0.26 0.00 0.00 58.87 58.79 3b83 n SER 51 Cb 0.54 -0.27 0.27 0.00 -0.26 0.00 0.00 64.21 64.49 3b83 n SER 51 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3b83 h SER 52 N 0.00 0.00 -3.36 4.04 0.02 -1.96 -3.44 113.55 108.85 3b83 h SER 52 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 3b83 h SER 52 Cb 0.07 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 3b83 h SER 52 CO 0.00 0.49 0.17 -0.63 -1.14 0.00 0.00 176.83 175.71 3b83 s ILE 53 N -3.87 5.00 -0.03 3.27 1.01 -0.88 -4.96 121.20 120.75 3b83 s ILE 53 Ca -0.02 1.44 0.00 0.00 0.00 0.00 0.00 60.65 62.08 3b83 s ILE 53 Cb 0.13 -4.05 0.01 0.00 0.01 0.00 0.00 42.46 38.56 3b83 s ILE 53 CO 0.74 0.17 0.95 0.35 0.00 0.00 0.00 174.94 177.15 3b83 n THR 54 N 4.17 0.88 -3.54 2.92 -2.24 -1.26 -4.91 114.28 110.30 3b83 n THR 54 Ca 0.00 -0.94 -0.16 0.00 -2.27 0.00 0.00 64.05 60.68 3b83 n THR 54 Cb 0.50 0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.88 -0.59 0.03 3.42 0.15 -1.26 -1.55 113.70 113.01 3b83 s SER 55 Ca 0.01 0.69 -0.00 0.00 0.70 0.00 0.00 55.95 57.35 3b83 s SER 55 Cb 0.00 0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 64.83 3b83 s SER 55 CO 0.00 -0.52 -0.03 -0.76 1.20 0.00 0.00 173.24 173.13 3b83 s LEU 56 N -1.06 2.29 -0.20 3.45 1.43 -0.31 -5.00 118.68 119.28 3b83 s LEU 56 Ca -0.08 -0.60 -0.00 0.00 -1.03 0.00 0.00 54.13 52.42 3b83 s LEU 56 Cb -0.00 0.12 0.02 0.00 0.03 0.00 0.00 46.19 46.35 3b83 s LEU 56 CO 0.07 -0.36 -0.15 -0.89 0.23 0.00 0.00 176.35 175.26 3b83 s THR 57 N -1.94 2.43 -0.09 5.49 2.01 -1.26 -0.93 115.64 121.34 3b83 s THR 57 Ca -0.11 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 60.89 3b83 s THR 57 Cb -0.06 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 3b83 s THR 57 CO -0.03 0.44 0.22 -0.76 -0.69 0.00 0.00 174.62 173.80 3b83 s LEU 58 N 1.32 4.40 0.00 4.42 1.43 0.30 -4.95 118.68 125.60 3b83 s LEU 58 Ca 0.04 0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.76 3b83 s LEU 58 Cb -0.14 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 3b83 s LEU 58 CO -0.10 0.37 0.08 0.35 0.23 0.00 0.00 176.35 177.29 3b83 n THR 59 N 2.04 0.00 -3.45 5.49 -2.24 -1.26 -1.47 114.28 113.39 3b83 n THR 59 Ca -0.18 -1.86 -0.20 0.00 -2.27 0.00 0.00 64.05 59.54 3b83 n THR 59 Cb 0.54 0.58 0.07 0.00 -2.10 0.00 0.00 70.33 69.43 3b83 n THR 59 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3b83 n ASN 60 N -1.53 -5.22 -4.76 3.42 5.15 -1.12 -4.93 115.26 106.27 3b83 n ASN 60 Ca -0.08 -0.50 -0.35 0.00 -0.60 0.00 0.00 54.58 53.05 3b83 n ASN 60 Cb 0.48 -4.61 -0.08 0.00 -0.53 0.00 0.00 39.78 35.05 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 -6.55 3.87 0.30 1.20 1.43 -0.68 -5.07 118.68 113.18 3b83 s LEU 61 Ca 0.43 0.24 -0.28 0.00 -1.03 0.00 0.00 54.13 53.49 3b83 s LEU 61 Cb -0.19 -1.98 -0.09 0.00 0.03 0.00 0.00 46.19 43.96 3b83 s LEU 61 CO 0.66 0.37 1.03 -1.61 0.23 0.00 0.00 176.35 177.02 3b83 s GLU 62 N -1.09 4.60 0.80 1.70 2.02 -1.26 -4.24 118.70 121.22 3b83 s GLU 62 Ca 0.16 1.60 -0.12 0.00 0.02 0.00 0.00 54.97 56.62 3b83 s GLU 62 Cb -0.12 -3.03 0.08 0.00 0.10 0.00 0.00 34.13 31.16 3b83 s GLU 62 CO 0.05 0.23 1.16 -2.14 0.02 0.00 0.00 175.26 174.58 3b83 s PRO 63 N -1.67 1.80 -1.59 0.39 0.02 -1.19 -3.52 135.00 129.24 3b83 s PRO 63 Ca 0.47 1.55 -0.03 0.00 0.02 0.00 0.00 61.00 63.00 3b83 s PRO 63 Cb -0.27 -1.81 0.03 0.00 0.02 0.00 0.00 34.50 32.47 3b83 s PRO 63 CO 0.34 -2.05 0.11 -1.71 -0.33 0.00 0.00 177.00 173.35 3b83 n ASN 64 N -3.40 0.49 -4.18 2.53 4.05 0.16 -4.93 115.26 109.98 3b83 n ASN 64 Ca 0.12 -1.26 -0.20 0.00 0.45 0.00 0.00 54.58 53.69 3b83 n ASN 64 Cb 0.52 -1.66 -0.12 0.00 1.23 0.00 0.00 39.78 39.74 3b83 n ASN 64 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3b83 s THR 65 N -4.21 1.19 -0.17 -0.44 2.01 -1.23 -4.92 115.64 107.88 3b83 s THR 65 Ca 0.12 -1.23 -0.14 0.00 0.31 0.00 0.00 61.69 60.76 3b83 s THR 65 Cb -0.07 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 3b83 s THR 65 CO 1.00 -0.12 0.30 -0.89 -0.69 0.00 0.00 174.62 174.22 3b83 s THR 66 N -1.11 5.30 0.15 -0.82 2.01 -1.26 -1.90 115.64 118.01 3b83 s THR 66 Ca 0.00 0.54 0.11 0.00 0.31 0.00 0.00 61.69 62.65 3b83 s THR 66 Cb -0.09 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 3b83 s THR 66 CO 0.02 0.37 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.77 3b83 s TYR 67 N 0.62 2.37 -0.05 4.92 1.51 0.74 -2.26 117.35 125.20 3b83 s TYR 67 Ca 0.16 -0.35 0.06 0.00 -1.01 0.00 0.00 57.07 55.94 3b83 s TYR 67 Cb -0.13 -1.24 -0.01 0.00 -0.11 0.00 0.00 41.96 40.46 3b83 s TYR 67 CO 0.04 0.40 -0.24 -2.00 -1.11 0.00 0.00 175.55 172.64 3b83 s GLU 68 N -2.26 2.32 -0.05 -0.62 2.12 -0.61 -1.77 118.70 117.81 3b83 s GLU 68 Ca 0.17 -0.86 0.03 0.00 0.36 0.00 0.00 54.97 54.67 3b83 s GLU 68 Cb -0.10 -2.02 0.01 0.00 0.26 0.00 0.00 34.13 32.28 3b83 s GLU 68 CO 0.08 0.40 -0.14 0.42 -0.54 0.00 0.00 175.26 175.48 3b83 s ILE 69 N -0.23 1.26 -0.01 -3.70 1.01 -0.68 -2.63 121.20 116.20 3b83 s ILE 69 Ca -0.01 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.10 3b83 s ILE 69 Cb -0.12 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 3b83 s ILE 69 CO 0.02 0.38 -0.15 -0.13 0.00 0.00 0.00 174.94 175.06 3b83 s ARG 70 N 0.37 1.24 -0.08 2.79 0.52 -0.42 -1.59 118.95 121.77 3b83 s ARG 70 Ca -0.10 -0.53 0.03 0.00 -0.52 0.00 0.00 55.73 54.62 3b83 s ARG 70 Cb -0.14 -1.18 0.01 0.00 0.52 0.00 0.00 34.95 34.16 3b83 s ARG 70 CO 0.03 0.31 -0.18 0.42 0.02 0.00 0.00 175.30 175.90 3b83 s ILE 71 N -0.29 1.57 0.03 1.52 1.01 -0.31 -0.86 121.20 123.86 3b83 s ILE 71 Ca 0.05 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 60.02 3b83 s ILE 71 Cb -0.06 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 3b83 s ILE 71 CO -0.00 0.45 -0.18 -0.69 0.00 0.00 0.00 174.94 174.52 3b83 s VAL 72 N 0.49 1.42 -0.17 2.92 1.01 0.72 -2.13 120.40 124.66 3b83 s VAL 72 Ca -0.16 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 60.73 3b83 s VAL 72 Cb -0.17 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3b83 s VAL 72 CO 0.06 0.20 0.11 0.00 0.00 0.00 0.00 175.10 175.47 3b83 s ALA 73 N -0.70 3.66 -0.08 5.51 0.00 -1.26 -0.28 121.76 128.61 3b83 s ALA 73 Ca 0.06 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.36 3b83 s ALA 73 Cb -0.08 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 21.00 3b83 s ALA 73 CO 0.01 0.30 -0.21 -0.98 0.00 0.00 0.00 175.76 174.87 3b83 s ARG 74 N -0.03 2.57 -0.14 0.00 1.70 -0.59 -1.50 118.95 120.97 3b83 s ARG 74 Ca 0.09 -0.77 -0.03 0.00 -0.47 0.00 0.00 55.73 54.55 3b83 s ARG 74 Cb -0.12 -2.03 0.05 0.00 -0.57 0.00 0.00 34.95 32.29 3b83 s ARG 74 CO 0.00 0.19 0.04 1.21 -1.08 0.00 0.00 175.30 175.66 3b83 s ASN 75 N 0.28 2.20 1.66 -2.89 3.84 -0.91 -1.84 114.94 117.29 3b83 s ASN 75 Ca -0.14 -0.46 0.00 0.00 0.21 0.00 0.00 52.86 52.47 3b83 s ASN 75 Cb -0.16 -0.42 0.00 0.00 -0.55 0.00 0.00 41.25 40.12 3b83 s ASN 75 CO 0.06 -0.28 0.00 0.61 -2.79 0.00 0.00 177.10 174.71 3b83 n GLY 76 N 5.16 2.98 0.86 1.21 0.00 -1.26 -1.49 105.19 112.65 3b83 n GLY 76 Ca -0.07 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 13.33 2.73 -3.60 1.61 1.13 -1.26 -4.98 117.38 126.34 3b83 n GLN 77 Ca 0.00 -2.20 -0.35 0.00 -1.94 0.00 0.00 57.00 52.51 3b83 n GLN 77 Cb 0.00 -1.36 -0.05 0.00 0.11 0.00 0.00 30.24 28.93 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 -1.01 3.74 -0.05 -1.09 -1.52 -0.56 -5.10 119.66 114.07 3b83 s GLN 78 Ca 0.31 0.14 0.02 0.00 -1.95 0.00 0.00 55.36 53.88 3b83 s GLN 78 Cb 0.16 -3.00 0.01 0.00 -0.22 0.00 0.00 33.01 29.96 3b83 s GLN 78 CO 0.21 0.57 -0.11 0.71 -0.25 0.00 0.00 175.29 176.43 3b83 s TYR 79 N -1.39 1.26 0.65 0.91 1.51 -1.26 -2.14 117.35 116.88 3b83 s TYR 79 Ca 0.33 -0.42 -0.13 0.00 -1.01 0.00 0.00 57.07 55.83 3b83 s TYR 79 Cb -0.14 -0.94 -0.01 0.00 -0.11 0.00 0.00 41.96 40.76 3b83 s TYR 79 CO 0.18 -0.23 1.06 -1.54 -1.11 0.00 0.00 175.55 173.91 3b83 s SER 80 N 0.60 5.59 0.65 2.29 1.04 -0.56 -4.93 113.70 118.38 3b83 s SER 80 Ca -0.12 1.68 -0.17 0.00 0.48 0.00 0.00 55.95 57.82 3b83 s SER 80 Cb -0.14 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.46 3b83 s SER 80 CO 0.03 -1.30 1.23 -2.16 0.98 0.00 0.00 173.24 172.02 3b83 s PRO 81 N -4.65 2.60 0.66 4.02 0.04 -1.26 -4.52 135.00 131.89 3b83 s PRO 81 Ca 0.60 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 63.41 3b83 s PRO 81 Cb -0.14 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 3b83 s PRO 81 CO 0.47 -1.51 1.05 -1.25 0.04 0.00 0.00 177.00 175.80 3b83 s PRO 82 N -3.52 3.21 -0.12 0.56 0.04 -1.26 -4.73 135.00 129.18 3b83 s PRO 82 Ca 0.78 0.89 0.03 0.00 0.04 0.00 0.00 61.00 62.74 3b83 s PRO 82 Cb -0.32 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3b83 s PRO 82 CO 0.39 -0.88 -0.21 0.08 0.04 0.00 0.00 177.00 176.41 3b83 s VAL 83 N -3.07 2.23 0.29 -0.36 1.01 -0.91 -4.92 120.40 114.67 3b83 s VAL 83 Ca 0.57 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3b83 s VAL 83 Cb -0.13 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3b83 s VAL 83 CO 0.54 0.55 0.14 -0.94 0.00 0.00 0.00 175.10 175.39 3b83 s SER 84 N 0.48 1.41 0.26 3.32 1.04 -1.26 -1.17 113.70 117.79 3b83 s SER 84 Ca -0.14 -1.50 -0.15 0.00 0.48 0.00 0.00 55.95 54.63 3b83 s SER 84 Cb -0.17 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.28 3b83 s SER 84 CO 0.05 -0.84 0.56 0.28 0.98 0.00 0.00 173.24 174.27 3b83 s THR 85 N -3.66 0.00 0.06 2.02 -1.32 -0.62 -4.99 115.64 107.12 3b83 s THR 85 Ca 0.36 -1.27 0.03 0.00 -1.21 0.00 0.00 61.69 59.60 3b83 s THR 85 Cb 0.06 -2.16 -0.03 0.00 -1.51 0.00 0.00 72.50 68.86 3b83 s THR 85 CO 0.16 0.00 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.58 3b83 s THR 86 N -3.94 0.79 0.20 5.08 2.01 -1.26 -1.69 115.64 116.83 3b83 s THR 86 Ca 0.19 -1.25 -0.20 0.00 0.31 0.00 0.00 61.69 60.73 3b83 s THR 86 Cb -0.02 -0.89 0.04 0.00 0.01 0.00 0.00 72.50 71.64 3b83 s THR 86 CO 0.09 -0.36 0.59 0.72 -0.69 0.00 0.00 174.62 174.97 3b83 s PHE 87 N -1.53 -0.31 -0.08 4.92 -0.12 -0.73 -5.00 117.98 115.13 3b83 s PHE 87 Ca -0.05 -0.00 0.01 0.00 -0.05 0.00 0.00 56.93 56.84 3b83 s PHE 87 Cb -0.09 0.53 0.02 0.00 -0.63 0.00 0.00 43.02 42.85 3b83 s PHE 87 CO 0.01 -0.95 -0.07 0.99 -0.05 0.00 0.00 175.22 175.14 3b83 s THR 88 N -3.83 0.87 0.73 -4.49 2.01 -1.26 -0.19 115.64 109.49 3b83 s THR 88 Ca 0.06 -0.26 -0.15 0.00 0.31 0.00 0.00 61.69 61.65 3b83 s THR 88 Cb -0.02 -0.87 0.04 0.00 0.01 0.00 0.00 72.50 71.66 3b83 s THR 88 CO -0.05 0.32 1.22 0.42 -0.69 0.00 0.00 174.62 175.84 3b83 s THR 89 N 1.25 2.22 1.06 -0.82 -4.23 -0.80 -4.88 115.64 109.44 3b83 s THR 89 Ca -0.05 0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.46 3b83 s THR 89 Cb -0.14 -2.71 0.23 0.00 1.34 0.00 0.00 72.50 71.22 3b83 s THR 89 CO -0.02 -0.06 1.07 -0.83 -0.54 0.00 0.00 174.62 174.24 3b83 s GLY 90 N -1.96 1.60 0.33 3.99 0.00 -0.35 -3.01 107.32 107.92 3b83 s GLY 90 Ca 0.75 0.12 0.09 0.00 0.00 0.00 0.00 44.72 45.68 3b83 s GLY 90 CO 0.45 0.73 -0.08 -1.35 0.00 0.00 0.00 173.10 172.85 3b83 s SER 91 N -2.63 3.45 0.46 1.64 1.04 -1.26 -0.66 113.70 115.73 3b83 s SER 91 Ca 0.68 -1.20 -0.14 0.00 0.48 0.00 0.00 55.95 55.77 3b83 s SER 91 Cb -0.24 -0.30 -0.07 0.00 0.10 0.00 0.00 66.02 65.51 3b83 s SER 91 CO 0.62 -0.25 0.87 -0.76 0.98 0.00 0.00 173.24 174.70 3b83 s LEU 92 N -3.56 3.74 -0.03 2.42 1.43 -1.26 -4.95 118.68 116.46 3b83 s LEU 92 Ca 0.32 1.35 0.04 0.00 -1.03 0.00 0.00 54.13 54.81 3b83 s LEU 92 Cb 0.03 -4.26 -0.05 0.00 0.03 0.00 0.00 46.19 41.94 3b83 s LEU 92 CO 0.15 -0.49 0.03 -0.62 0.23 0.00 0.00 176.35 175.66 3b83 n GLU 93 N -1.41 2.55 -3.58 1.70 1.02 -1.26 -5.02 120.64 114.65 3b83 n GLU 93 Ca 0.04 -0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 56.94 3b83 n GLU 93 Cb 0.54 -1.11 -0.02 0.00 -0.02 0.00 0.00 31.44 30.84 3b83 n GLU 93 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3b83 s HIS 94 N -2.15 3.48 0.75 -0.32 3.76 -1.26 -5.10 115.29 114.45 3b83 s HIS 94 Ca -0.02 0.24 -0.07 0.00 -0.15 0.00 0.00 55.06 55.05 3b83 s HIS 94 Cb 0.02 -1.79 0.09 0.00 1.11 0.00 0.00 32.58 32.00 3b83 s HIS 94 CO 0.17 0.23 1.06 -1.01 -0.85 0.00 0.00 174.74 174.35 3b83 s HIS 95 N -2.19 2.55 0.88 1.40 3.76 -1.26 -5.10 115.29 115.34 3b83 s HIS 95 Ca 0.38 0.34 -0.11 0.00 -0.15 0.00 0.00 55.06 55.52 3b83 s HIS 95 Cb -0.09 -3.31 0.18 0.00 1.11 0.00 0.00 32.58 30.46 3b83 s HIS 95 CO 0.33 -1.64 1.22 -1.01 -0.85 0.00 0.00 174.74 172.79 3b83 s HIS 96 N -3.34 1.60 0.26 1.40 3.76 -1.26 -5.10 115.29 112.61 3b83 s HIS 96 Ca 0.63 0.13 0.00 0.00 -0.15 0.00 0.00 55.06 55.67 3b83 s HIS 96 Cb -0.09 -3.75 0.05 0.00 1.11 0.00 0.00 32.58 29.90 3b83 s HIS 96 CO 0.46 -2.35 0.35 -2.39 -0.85 0.00 0.00 174.74 169.96 3b83 n HIS 97 N -3.47 -3.18 0.14 1.40 1.44 -1.26 -5.29 115.22 105.01 3b83 n HIS 97 Ca 0.15 -0.64 0.02 0.00 -2.01 0.00 0.00 57.72 55.24 3b83 n HIS 97 Cb 0.60 -0.26 0.01 0.00 0.12 0.00 0.00 29.99 30.47 3b83 n HIS 97 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25