#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 2.19 0.13 4.03 2.96 -1.26 -5.07 118.68 121.66 3b83 s LEU 1 Ca 0.00 -0.43 -0.35 0.00 -0.22 0.00 0.00 54.13 53.13 3b83 s LEU 1 Cb 0.00 -1.40 -0.14 0.00 0.50 0.00 0.00 46.19 45.15 3b83 s LEU 1 CO 0.00 0.29 1.54 0.00 -1.32 0.00 0.00 176.35 176.86 3b83 n GLN 2 N 2.63 1.93 -3.25 1.98 0.00 -1.26 -4.37 117.38 115.04 3b83 n GLN 2 Ca -0.17 0.70 -0.20 0.00 0.00 0.00 0.00 57.00 57.33 3b83 n GLN 2 Cb 0.52 -2.44 0.00 0.00 0.00 0.00 0.00 30.24 28.32 3b83 n GLN 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3b83 s PRO 3 N 0.96 3.04 0.27 2.61 0.04 -1.26 -4.66 135.00 135.99 3b83 s PRO 3 Ca 0.81 -0.88 -0.02 0.00 0.04 0.00 0.00 61.00 60.95 3b83 s PRO 3 Cb -0.74 -2.73 0.06 0.00 0.04 0.00 0.00 34.50 31.13 3b83 s PRO 3 CO 0.40 -0.10 0.37 -2.30 0.04 0.00 0.00 177.00 175.41 3b83 n PRO 4 N -1.82 0.14 -3.97 0.56 -0.02 -1.26 -3.94 135.00 124.70 3b83 n PRO 4 Ca 0.01 -0.86 0.03 0.00 -2.02 0.00 0.00 63.50 60.67 3b83 n PRO 4 Cb 0.58 -0.29 0.01 0.00 -0.02 0.00 0.00 33.50 33.78 3b83 n PRO 4 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3b83 s PHE 5 N -1.20 0.02 -1.41 6.00 -0.71 -1.03 -4.93 117.98 114.71 3b83 s PHE 5 Ca 0.23 -0.10 -0.09 0.00 -1.04 0.00 0.00 56.93 55.93 3b83 s PHE 5 Cb -0.01 0.54 0.04 0.00 -1.21 0.00 0.00 43.02 42.38 3b83 s PHE 5 CO 0.16 -0.19 1.02 -1.71 -1.34 0.00 0.00 175.22 173.15 3b83 n ASN 6 N -1.01 -4.65 -4.70 1.98 4.05 -1.26 -1.24 115.26 108.44 3b83 n ASN 6 Ca 0.03 -0.69 -0.42 0.00 0.45 0.00 0.00 54.58 53.96 3b83 n ASN 6 Cb 0.59 -4.43 -0.03 0.00 1.23 0.00 0.00 39.78 37.14 3b83 n ASN 6 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3b83 s ILE 7 N -3.36 3.60 0.03 -1.44 1.01 -1.26 -4.39 121.20 115.40 3b83 s ILE 7 Ca 0.49 1.04 0.06 0.00 0.00 0.00 0.00 60.65 62.25 3b83 s ILE 7 Cb -0.23 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 3b83 s ILE 7 CO 0.78 0.02 -0.18 -0.54 0.00 0.00 0.00 174.94 175.02 3b83 s LYS 8 N 2.08 1.24 -0.22 2.79 1.02 0.55 -4.97 119.74 122.22 3b83 s LYS 8 Ca 0.64 -0.84 0.02 0.00 0.02 0.00 0.00 55.97 55.81 3b83 s LYS 8 Cb -0.33 -1.31 0.04 0.00 -0.52 0.00 0.00 37.83 35.71 3b83 s LYS 8 CO 0.28 0.33 -0.16 0.08 -0.92 0.00 0.00 175.35 174.96 3b83 s VAL 9 N -0.76 2.11 0.49 3.17 1.01 -1.26 -0.80 120.40 124.35 3b83 s VAL 9 Ca 0.06 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 60.79 3b83 s VAL 9 Cb -0.08 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 3b83 s VAL 9 CO 0.01 0.27 0.04 0.42 0.00 0.00 0.00 175.10 175.84 3b83 s THR 10 N 1.20 0.99 -1.67 3.92 -4.23 0.28 -4.81 115.64 111.32 3b83 s THR 10 Ca -0.02 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.31 3b83 s THR 10 Cb -0.16 -2.20 0.15 0.00 1.34 0.00 0.00 72.50 71.63 3b83 s THR 10 CO -0.09 0.00 0.81 0.59 -0.54 0.00 0.00 174.62 175.38 3b83 n ASN 11 N -1.29 -3.54 -4.69 3.99 3.02 -1.26 -1.07 115.26 110.42 3b83 n ASN 11 Ca -0.16 -0.96 -0.42 0.00 -0.03 0.00 0.00 54.58 53.02 3b83 n ASN 11 Cb 0.66 -2.89 -0.03 0.00 -0.61 0.00 0.00 39.78 36.92 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 -3.26 3.42 0.00 2.41 1.01 -1.26 -4.37 121.20 119.15 3b83 s ILE 12 Ca 0.73 0.85 0.00 0.00 0.00 0.00 0.00 60.65 62.23 3b83 s ILE 12 Cb -0.39 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.53 3b83 s ILE 12 CO 0.90 0.00 0.00 0.35 0.00 0.00 0.00 174.94 176.19 3b83 n THR 13 N 4.63 0.00 0.03 2.92 -2.24 0.19 -4.75 114.28 115.06 3b83 n THR 13 Ca 0.14 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.86 3b83 n THR 13 Cb 0.42 -0.04 0.13 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.48 -1.27 3.22 3.38 -1.93 -2.00 115.31 117.18 3b83 h LEU 14 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3b83 h LEU 14 Cb 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3b83 h LEU 14 CO 0.00 0.87 -0.09 0.35 0.09 0.00 0.00 178.44 179.66 3b83 n THR 15 N -4.00 0.05 -4.24 0.22 -2.24 -1.26 -3.29 114.28 99.52 3b83 n THR 15 Ca -0.02 -0.05 -0.19 0.00 -2.27 0.00 0.00 64.05 61.51 3b83 n THR 15 Cb 0.53 0.88 -0.12 0.00 -2.10 0.00 0.00 70.33 69.53 3b83 n THR 15 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3b83 s THR 16 N -0.06 1.40 -0.28 4.28 2.01 -1.26 -1.24 115.64 120.49 3b83 s THR 16 Ca 0.00 -1.61 -0.24 0.00 0.31 0.00 0.00 61.69 60.15 3b83 s THR 16 Cb 0.00 -1.46 0.09 0.00 0.01 0.00 0.00 72.50 71.14 3b83 s THR 16 CO 0.00 -0.30 0.84 0.00 -0.69 0.00 0.00 174.62 174.47 3b83 s ALA 17 N -1.76 -1.88 -0.23 7.40 0.00 -0.72 -0.64 121.76 123.94 3b83 s ALA 17 Ca 0.07 2.01 -0.09 0.00 0.00 0.00 0.00 51.96 53.95 3b83 s ALA 17 Cb -0.07 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 3b83 s ALA 17 CO 0.03 -0.31 0.12 0.08 0.00 0.00 0.00 175.76 175.69 3b83 s VAL 18 N 0.46 5.04 -0.10 0.00 1.01 -0.23 -0.23 120.40 126.35 3b83 s VAL 18 Ca -0.00 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 3b83 s VAL 18 Cb -0.05 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 3b83 s VAL 18 CO -0.04 0.36 -0.07 -0.69 0.00 0.00 0.00 175.10 174.66 3b83 s VAL 19 N 1.04 3.64 0.00 2.92 1.01 0.88 -0.55 120.40 129.34 3b83 s VAL 19 Ca 0.06 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 3b83 s VAL 19 Cb -0.14 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 3b83 s VAL 19 CO 0.04 0.56 0.03 -0.89 0.00 0.00 0.00 175.10 174.84 3b83 s THR 20 N -0.31 0.07 0.29 3.92 2.01 0.02 -0.85 115.64 120.78 3b83 s THR 20 Ca 0.04 -0.54 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 3b83 s THR 20 Cb -0.13 -0.23 -0.00 0.00 0.01 0.00 0.00 72.50 72.16 3b83 s THR 20 CO 0.02 -0.30 0.47 -1.66 -0.69 0.00 0.00 174.62 172.47 3b83 s TRP 21 N -0.91 0.66 -0.23 4.92 -2.14 -0.85 -0.33 118.94 120.05 3b83 s TRP 21 Ca -0.10 -0.98 -0.05 0.00 2.66 0.00 0.00 56.10 57.62 3b83 s TRP 21 Cb -0.06 0.08 -0.02 0.00 -3.10 0.00 0.00 33.47 30.37 3b83 s TRP 21 CO -0.00 -1.05 0.01 -0.65 -2.66 0.00 0.00 176.95 172.59 3b83 s GLN 22 N -3.58 3.49 0.77 3.25 -1.52 -0.37 -4.83 119.66 116.88 3b83 s GLN 22 Ca 0.26 -0.56 -0.13 0.00 -1.95 0.00 0.00 55.36 52.97 3b83 s GLN 22 Cb -0.00 -3.14 0.06 0.00 -0.22 0.00 0.00 33.01 29.71 3b83 s GLN 22 CO 0.13 -0.20 1.18 -2.14 -0.25 0.00 0.00 175.29 174.02 3b83 s PRO 23 N 1.54 1.92 0.91 2.91 0.02 -1.26 -2.46 135.00 138.57 3b83 s PRO 23 Ca 0.06 1.64 -0.12 0.00 0.02 0.00 0.00 61.00 62.60 3b83 s PRO 23 Cb -0.15 -1.82 0.08 0.00 0.02 0.00 0.00 34.50 32.63 3b83 s PRO 23 CO -0.00 -1.98 0.75 -2.30 -0.33 0.00 0.00 177.00 173.14 3b83 n PRO 24 N -3.14 -0.26 -0.12 5.54 -0.02 -1.25 -4.82 135.00 130.92 3b83 n PRO 24 Ca 0.12 -0.02 -0.12 0.00 -2.02 0.00 0.00 63.50 61.47 3b83 n PRO 24 Cb 0.51 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 3b83 n PRO 24 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3b83 h ILE 25 N -1.54 1.28 -3.26 4.25 2.04 -1.93 -3.43 117.51 114.93 3b83 h ILE 25 Ca -0.44 -1.26 -0.57 0.00 1.00 0.00 0.00 64.86 63.60 3b83 h ILE 25 Cb 1.28 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 3b83 h ILE 25 CO 0.38 0.42 -0.20 -0.76 0.00 0.00 0.00 178.15 177.99 3b83 s LEU 26 N -9.18 4.27 0.66 1.44 1.43 -1.26 -5.05 118.68 110.98 3b83 s LEU 26 Ca -0.12 0.82 -0.18 0.00 -1.03 0.00 0.00 54.13 53.62 3b83 s LEU 26 Cb 0.10 -3.34 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 3b83 s LEU 26 CO 0.82 0.05 1.24 -2.65 0.23 0.00 0.00 176.35 176.04 3b83 n PRO 27 N 0.34 0.99 -4.14 1.29 -0.02 -1.26 -4.95 135.00 127.24 3b83 n PRO 27 Ca -0.03 0.39 -0.11 0.00 -2.02 0.00 0.00 63.50 61.73 3b83 n PRO 27 Cb 0.52 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.43 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 -1.48 0.04 -0.06 4.25 -4.36 -1.26 -5.02 121.20 113.31 3b83 s ILE 28 Ca 0.81 -1.87 0.11 0.00 -0.26 0.00 0.00 60.65 59.44 3b83 s ILE 28 Cb -0.37 -2.27 -0.23 0.00 1.25 0.00 0.00 42.46 40.83 3b83 s ILE 28 CO 0.42 -0.17 0.58 -0.62 0.24 0.00 0.00 174.94 175.39 3b83 n GLU 29 N -0.22 0.65 -3.86 0.37 1.02 -0.49 -4.86 120.64 113.26 3b83 n GLU 29 Ca -0.01 0.27 -0.08 0.00 -0.02 0.00 0.00 57.16 57.32 3b83 n GLU 29 Cb 0.65 -1.76 -0.01 0.00 -0.02 0.00 0.00 31.44 30.29 3b83 n GLU 29 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3b83 s GLY 30 N -5.20 0.05 -0.07 0.62 0.00 -0.86 -4.81 107.32 97.05 3b83 s GLY 30 Ca -0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 44.72 44.18 3b83 s GLY 30 CO 0.82 -0.17 0.05 -0.42 0.00 0.00 0.00 173.10 173.38 3b83 s ILE 31 N -3.56 0.00 -0.29 0.90 1.01 0.49 -0.91 121.20 118.85 3b83 s ILE 31 Ca 0.13 0.23 -0.20 0.00 0.00 0.00 0.00 60.65 60.81 3b83 s ILE 31 Cb -0.06 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 42.08 3b83 s ILE 31 CO 0.08 0.10 0.63 -0.76 0.00 0.00 0.00 174.94 174.98 3b83 s LEU 32 N 2.12 4.12 -0.27 2.97 1.43 0.29 -0.75 118.68 128.59 3b83 s LEU 32 Ca 0.04 0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 53.60 3b83 s LEU 32 Cb -0.13 -2.82 0.01 0.00 0.03 0.00 0.00 46.19 43.28 3b83 s LEU 32 CO -0.05 -0.45 0.02 -0.69 0.23 0.00 0.00 176.35 175.42 3b83 s VAL 33 N 2.58 3.55 -0.01 -1.59 1.01 -0.66 -0.50 120.40 124.78 3b83 s VAL 33 Ca 0.25 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3b83 s VAL 33 Cb -0.15 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3b83 s VAL 33 CO 0.11 0.15 -0.13 -0.89 0.00 0.00 0.00 175.10 174.34 3b83 s THR 34 N 1.44 3.20 0.07 3.92 2.01 0.41 -1.98 115.64 124.70 3b83 s THR 34 Ca 0.02 -0.83 -0.15 0.00 0.31 0.00 0.00 61.69 61.04 3b83 s THR 34 Cb -0.17 -2.32 0.03 0.00 0.01 0.00 0.00 72.50 70.05 3b83 s THR 34 CO -0.00 0.48 0.36 0.72 -0.69 0.00 0.00 174.62 175.48 3b83 s PHE 35 N -0.85 -0.16 0.00 4.92 -0.12 -0.42 -0.90 117.98 120.45 3b83 s PHE 35 Ca 0.14 -0.00 0.00 0.00 -0.05 0.00 0.00 56.93 57.01 3b83 s PHE 35 Cb -0.11 0.17 0.00 0.00 -0.63 0.00 0.00 43.02 42.45 3b83 s PHE 35 CO 0.04 -0.58 0.00 0.41 -0.05 0.00 0.00 175.22 175.04 3b83 n GLY 36 N 0.31 0.12 3.77 1.99 0.00 -1.16 -0.00 105.19 110.21 3b83 n GLY 36 Ca -0.18 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 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 3.74 0.16 1.61 0.52 -1.26 -1.46 118.95 120.27 3b83 s ARG 37 Ca 0.00 2.47 -0.09 0.00 -0.52 0.00 0.00 55.73 57.59 3b83 s ARG 37 Cb 0.00 -2.71 0.02 0.00 0.52 0.00 0.00 34.95 32.79 3b83 s ARG 37 CO 0.00 -0.79 1.51 -0.22 0.02 0.00 0.00 175.30 175.82 3b83 h LYS 38 N 2.42 0.87 -0.69 3.54 3.64 -1.40 -3.10 116.57 121.86 3b83 h LYS 38 Ca -0.51 -0.44 0.04 0.00 -1.27 0.00 0.00 60.65 58.47 3b83 h LYS 38 Cb 1.26 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.04 3b83 h LYS 38 CO 0.62 1.09 0.41 -0.91 -2.27 0.00 0.00 179.45 178.38 3b83 h ASN 39 N 0.71 0.65 -3.34 4.20 2.35 -1.91 -3.40 115.58 114.85 3b83 h ASN 39 Ca 0.06 0.01 -0.67 0.00 -0.55 0.00 0.00 56.30 55.16 3b83 h ASN 39 Cb 0.94 -0.12 -0.17 0.00 0.05 0.00 0.00 38.32 39.02 3b83 h ASN 39 CO 0.09 0.43 0.10 -0.62 -1.65 0.00 0.00 177.43 175.79 3b83 s ASP 40 N -5.68 6.26 0.13 5.81 -1.08 -1.17 -4.91 116.67 116.02 3b83 s ASP 40 Ca -0.13 -0.72 0.19 0.00 -0.52 0.00 0.00 52.55 51.38 3b83 s ASP 40 Cb 0.16 -2.31 0.81 0.00 -1.46 0.00 0.00 42.92 40.12 3b83 s ASP 40 CO 0.76 -0.89 1.60 -2.65 0.52 0.00 0.00 175.17 174.52 3b83 n PRO 41 N 6.29 0.10 -0.22 4.34 -0.02 -1.26 -2.61 135.00 141.62 3b83 n PRO 41 Ca -0.05 0.33 0.08 0.00 -2.02 0.00 0.00 63.50 61.84 3b83 n PRO 41 Cb 0.46 -1.69 0.20 0.00 -0.02 0.00 0.00 33.50 32.45 3b83 n PRO 41 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3b83 n SER 42 N -1.88 3.20 -0.00 2.55 3.41 -1.26 -4.58 113.62 115.06 3b83 n SER 42 Ca 0.03 -1.98 -0.22 0.00 -0.26 0.00 0.00 58.87 56.44 3b83 n SER 42 Cb 0.21 -0.30 -0.14 0.00 -0.26 0.00 0.00 64.21 63.73 3b83 n SER 42 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3b83 h ASP 43 N 2.76 0.36 0.00 4.04 3.58 -1.82 -3.50 116.42 121.85 3b83 h ASP 43 Ca 0.00 -0.85 0.00 0.00 0.42 0.00 0.00 57.03 56.60 3b83 h ASP 43 Cb 0.80 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.74 3b83 h ASP 43 CO 0.00 1.71 0.00 -0.62 -2.88 0.00 0.00 179.24 177.45 3b83 n GLU 44 N -3.81 0.00 -4.07 0.28 4.71 -1.25 -4.88 120.64 111.61 3b83 n GLU 44 Ca -0.29 0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 56.69 3b83 n GLU 44 Cb 0.94 0.00 -0.16 0.00 -1.01 0.00 0.00 31.44 31.21 3b83 n GLU 44 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3b83 s THR 45 N 0.00 0.36 -0.02 2.62 2.01 0.99 -4.93 115.64 116.67 3b83 s THR 45 Ca 0.00 -0.07 0.06 0.00 0.31 0.00 0.00 61.69 61.99 3b83 s THR 45 Cb 0.00 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 3b83 s THR 45 CO 0.00 0.16 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.02 3b83 s THR 46 N 0.68 1.47 0.04 -0.82 2.01 -1.26 -1.30 115.64 116.45 3b83 s THR 46 Ca -0.08 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.20 3b83 s THR 46 Cb -0.11 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 3b83 s THR 46 CO -0.01 0.42 -0.18 0.68 -0.69 0.00 0.00 174.62 174.84 3b83 s VAL 47 N -0.38 1.45 -0.28 3.82 -7.23 -0.84 -4.98 120.40 111.96 3b83 s VAL 47 Ca 0.06 -1.11 -0.10 0.00 -1.81 0.00 0.00 61.98 59.02 3b83 s VAL 47 Cb -0.08 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 3b83 s VAL 47 CO -0.00 0.13 0.16 -0.62 -0.31 0.00 0.00 175.10 174.45 3b83 s ASP 48 N -1.15 5.70 0.40 4.85 2.15 -1.26 -1.65 116.67 125.71 3b83 s ASP 48 Ca 0.05 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 52.83 3b83 s ASP 48 Cb -0.08 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 3b83 s ASP 48 CO 0.02 -0.09 0.02 0.18 -0.17 0.00 0.00 175.17 175.12 3b83 n LEU 49 N 5.01 0.00 -4.70 -1.34 4.77 0.07 -4.91 117.00 115.90 3b83 n LEU 49 Ca -0.14 -2.46 -0.24 0.00 -0.03 0.00 0.00 56.01 53.13 3b83 n LEU 49 Cb 0.51 0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.79 3b83 n LEU 49 CO 0.33 -0.36 -0.21 0.42 -1.33 0.00 0.00 177.39 176.24 3b83 s THR 50 N -2.41 2.63 -0.61 -5.08 -4.23 -1.26 -0.38 115.64 104.31 3b83 s THR 50 Ca 0.01 -1.78 0.21 0.00 -1.18 0.00 0.00 61.69 58.95 3b83 s THR 50 Cb -0.00 -2.93 0.22 0.00 1.34 0.00 0.00 72.50 71.12 3b83 s THR 50 CO 0.01 -0.12 1.65 -1.54 -0.54 0.00 0.00 174.62 174.08 3b83 n SER 51 N -1.12 0.50 0.00 3.99 3.41 -1.26 -2.29 113.62 116.85 3b83 n SER 51 Ca -0.03 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.31 3b83 n SER 51 Cb 0.63 -0.73 0.50 0.00 -0.26 0.00 0.00 64.21 64.35 3b83 n SER 51 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3b83 n SER 52 N -2.05 0.00 -4.28 4.04 7.64 -1.26 -4.54 113.62 113.17 3b83 n SER 52 Ca 0.02 0.07 -0.33 0.00 1.01 0.00 0.00 58.87 59.65 3b83 n SER 52 Cb 0.22 -0.32 -0.15 0.00 -1.01 0.00 0.00 64.21 62.95 3b83 n SER 52 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3b83 s ILE 53 N -2.64 2.74 -0.01 0.44 1.01 -0.97 -5.01 121.20 116.77 3b83 s ILE 53 Ca 0.18 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.09 3b83 s ILE 53 Cb 0.14 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.46 3b83 s ILE 53 CO 0.32 0.51 0.89 0.35 0.00 0.00 0.00 174.94 177.02 3b83 n THR 54 N 4.01 0.80 -3.64 2.92 -2.24 -1.26 -4.81 114.28 110.06 3b83 n THR 54 Ca -0.19 -0.82 -0.15 0.00 -2.27 0.00 0.00 64.05 60.62 3b83 n THR 54 Cb 0.52 0.57 -0.08 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 -0.55 0.05 3.42 0.15 -1.26 -2.00 113.70 112.63 3b83 s SER 55 Ca 0.02 0.83 0.03 0.00 0.70 0.00 0.00 55.95 57.53 3b83 s SER 55 Cb 0.02 0.83 -0.03 0.00 -1.71 0.00 0.00 66.02 65.13 3b83 s SER 55 CO 0.00 -0.38 -0.09 -0.76 1.20 0.00 0.00 173.24 173.22 3b83 s LEU 56 N -0.46 2.27 -0.23 3.45 1.43 -0.03 -4.98 118.68 120.12 3b83 s LEU 56 Ca -0.06 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 3b83 s LEU 56 Cb -0.03 -0.22 0.02 0.00 0.03 0.00 0.00 46.19 45.98 3b83 s LEU 56 CO 0.04 -0.19 -0.09 -0.89 0.23 0.00 0.00 176.35 175.46 3b83 s THR 57 N -1.41 2.77 0.02 5.49 2.01 -1.26 -0.08 115.64 123.17 3b83 s THR 57 Ca -0.08 -0.91 -0.16 0.00 0.31 0.00 0.00 61.69 60.85 3b83 s THR 57 Cb -0.10 -2.33 -0.06 0.00 0.01 0.00 0.00 72.50 70.02 3b83 s THR 57 CO 0.01 0.32 0.46 -0.76 -0.69 0.00 0.00 174.62 173.96 3b83 s LEU 58 N 1.34 4.48 0.39 4.42 1.43 0.67 -4.94 118.68 126.48 3b83 s LEU 58 Ca 0.02 1.05 0.05 0.00 -1.03 0.00 0.00 54.13 54.22 3b83 s LEU 58 Cb -0.15 -2.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 3b83 s LEU 58 CO -0.06 0.30 0.17 0.42 0.23 0.00 0.00 176.35 177.40 3b83 s THR 59 N -1.01 0.44 -1.70 5.49 -4.23 -1.26 -1.75 115.64 111.62 3b83 s THR 59 Ca 0.25 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3b83 s THR 59 Cb -0.17 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.30 3b83 s THR 59 CO 0.15 0.00 0.00 -3.20 -0.54 0.00 0.00 174.62 171.03 3b83 n ASN 60 N -1.38 -5.35 -4.90 3.99 5.15 -0.93 -4.93 115.26 106.90 3b83 n ASN 60 Ca -0.03 0.11 -0.29 0.00 -0.60 0.00 0.00 54.58 53.78 3b83 n ASN 60 Cb 0.64 -4.43 0.09 0.00 -0.53 0.00 0.00 39.78 35.55 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 -5.04 2.56 0.08 1.20 1.43 -0.38 -5.06 118.68 113.47 3b83 s LEU 61 Ca 0.00 0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 53.81 3b83 s LEU 61 Cb 0.00 -3.27 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 3b83 s LEU 61 CO 0.00 -1.85 0.29 -1.61 0.23 0.00 0.00 176.35 173.41 3b83 s GLU 62 N -5.53 3.54 0.66 1.70 0.41 -1.26 -4.47 118.70 113.76 3b83 s GLU 62 Ca 0.62 -0.22 -0.17 0.00 -0.41 0.00 0.00 54.97 54.79 3b83 s GLU 62 Cb -0.11 -2.97 0.00 0.00 -1.78 0.00 0.00 34.13 29.27 3b83 s GLU 62 CO 0.48 0.56 1.22 -2.14 -0.49 0.00 0.00 175.26 174.89 3b83 s PRO 63 N -2.41 2.56 -1.37 0.39 0.02 -1.21 -3.78 135.00 129.21 3b83 s PRO 63 Ca 0.36 1.81 -0.08 0.00 0.02 0.00 0.00 61.00 63.11 3b83 s PRO 63 Cb -0.13 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.53 3b83 s PRO 63 CO 0.24 -1.52 0.15 -1.71 -0.33 0.00 0.00 177.00 173.83 3b83 n ASN 64 N -2.15 -0.22 -4.27 2.53 5.15 0.34 -4.94 115.26 111.71 3b83 n ASN 64 Ca 0.14 -1.20 -0.22 0.00 -0.60 0.00 0.00 54.58 52.69 3b83 n ASN 64 Cb 0.50 -1.48 -0.12 0.00 -0.53 0.00 0.00 39.78 38.15 3b83 n ASN 64 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3b83 s THR 65 N -4.14 1.60 -0.27 -0.44 2.01 -1.24 -4.91 115.64 108.26 3b83 s THR 65 Ca 0.11 -1.55 -0.10 0.00 0.31 0.00 0.00 61.69 60.46 3b83 s THR 65 Cb -0.06 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 3b83 s THR 65 CO 0.93 -0.14 0.14 -0.89 -0.69 0.00 0.00 174.62 173.97 3b83 s THR 66 N -1.33 4.94 0.19 -0.82 2.01 -1.26 -1.03 115.64 118.34 3b83 s THR 66 Ca 0.06 0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.19 3b83 s THR 66 Cb -0.09 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 3b83 s THR 66 CO 0.04 0.29 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.88 3b83 s TYR 67 N 1.65 2.68 0.01 4.92 1.51 0.63 -1.11 117.35 127.64 3b83 s TYR 67 Ca 0.07 -0.21 0.06 0.00 -1.01 0.00 0.00 57.07 55.98 3b83 s TYR 67 Cb -0.16 -1.29 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 3b83 s TYR 67 CO 0.08 0.53 -0.19 -2.00 -1.11 0.00 0.00 175.55 172.85 3b83 s GLU 68 N -2.94 1.45 -0.06 -0.62 2.12 -0.53 -1.19 118.70 116.92 3b83 s GLU 68 Ca 0.26 -0.76 0.05 0.00 0.36 0.00 0.00 54.97 54.89 3b83 s GLU 68 Cb -0.09 -1.45 -0.01 0.00 0.26 0.00 0.00 34.13 32.84 3b83 s GLU 68 CO 0.16 0.39 -0.23 0.42 -0.54 0.00 0.00 175.26 175.46 3b83 s ILE 69 N -0.57 2.22 -0.04 -3.70 1.01 -0.27 -3.00 121.20 116.84 3b83 s ILE 69 Ca 0.07 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.75 3b83 s ILE 69 Cb -0.08 -1.82 -0.00 0.00 0.01 0.00 0.00 42.46 40.58 3b83 s ILE 69 CO 0.00 0.57 -0.14 -0.13 0.00 0.00 0.00 174.94 175.24 3b83 s ARG 70 N -0.18 1.44 -0.06 2.79 0.52 -0.08 -2.46 118.95 120.92 3b83 s ARG 70 Ca -0.03 -0.48 0.04 0.00 -0.52 0.00 0.00 55.73 54.75 3b83 s ARG 70 Cb -0.14 -1.28 0.00 0.00 0.52 0.00 0.00 34.95 34.06 3b83 s ARG 70 CO 0.03 0.18 -0.18 0.42 0.02 0.00 0.00 175.30 175.78 3b83 s ILE 71 N 0.12 1.54 -0.06 1.52 1.01 -0.51 -0.45 121.20 124.37 3b83 s ILE 71 Ca -0.04 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.88 3b83 s ILE 71 Cb -0.10 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 41.05 3b83 s ILE 71 CO 0.01 0.44 -0.08 -0.69 0.00 0.00 0.00 174.94 174.62 3b83 s VAL 72 N 0.22 0.85 0.01 2.92 1.01 0.34 -2.11 120.40 123.64 3b83 s VAL 72 Ca -0.09 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.45 3b83 s VAL 72 Cb -0.14 -0.81 -0.06 0.00 0.00 0.00 0.00 36.38 35.37 3b83 s VAL 72 CO 0.04 0.29 0.40 0.00 0.00 0.00 0.00 175.10 175.84 3b83 s ALA 73 N 0.82 3.70 0.04 5.51 0.00 -1.26 0.10 121.76 130.67 3b83 s ALA 73 Ca -0.12 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 51.65 3b83 s ALA 73 Cb -0.15 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 3b83 s ALA 73 CO 0.02 0.50 -0.19 -0.98 0.00 0.00 0.00 175.76 175.10 3b83 s ARG 74 N -1.24 1.32 -0.22 0.00 1.70 -0.08 -1.17 118.95 119.26 3b83 s ARG 74 Ca 0.25 -0.87 -0.04 0.00 -0.47 0.00 0.00 55.73 54.60 3b83 s ARG 74 Cb -0.16 -1.40 0.11 0.00 -0.57 0.00 0.00 34.95 32.93 3b83 s ARG 74 CO 0.14 0.36 0.39 1.21 -1.08 0.00 0.00 175.30 176.32 3b83 s ASN 75 N -1.08 0.02 1.59 -2.89 3.84 -0.66 -1.39 114.94 114.37 3b83 s ASN 75 Ca 0.06 0.56 0.00 0.00 0.21 0.00 0.00 52.86 53.69 3b83 s ASN 75 Cb -0.08 1.21 0.00 0.00 -0.55 0.00 0.00 41.25 41.83 3b83 s ASN 75 CO 0.01 -0.27 0.00 0.61 -2.79 0.00 0.00 177.10 174.66 3b83 n GLY 76 N 5.38 2.49 1.46 1.21 0.00 -1.26 -1.68 105.19 112.79 3b83 n GLY 76 Ca -0.06 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 13.34 3.98 -4.07 1.61 6.02 -1.26 -4.95 117.38 132.04 3b83 n GLN 77 Ca 0.00 -2.96 -0.36 0.00 -0.01 0.00 0.00 57.00 53.67 3b83 n GLN 77 Cb 0.00 -2.02 -0.07 0.00 1.02 0.00 0.00 30.24 29.17 3b83 n GLN 77 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3b83 s GLN 78 N -2.53 3.25 -0.08 -1.09 -1.52 -0.67 -5.10 119.66 111.91 3b83 s GLN 78 Ca 0.49 -0.25 0.01 0.00 -1.95 0.00 0.00 55.36 53.65 3b83 s GLN 78 Cb 0.36 -3.03 0.02 0.00 -0.22 0.00 0.00 33.01 30.15 3b83 s GLN 78 CO 0.15 0.74 -0.07 0.71 -0.25 0.00 0.00 175.29 176.58 3b83 s TYR 79 N -0.99 1.17 0.84 0.91 1.51 -1.26 -1.66 117.35 117.87 3b83 s TYR 79 Ca 0.15 -0.46 -0.12 0.00 -1.01 0.00 0.00 57.07 55.63 3b83 s TYR 79 Cb -0.12 -0.98 0.10 0.00 -0.11 0.00 0.00 41.96 40.85 3b83 s TYR 79 CO 0.04 -0.34 1.16 -1.54 -1.11 0.00 0.00 175.55 173.76 3b83 s SER 80 N 1.25 3.56 0.18 2.29 1.04 -0.32 -4.72 113.70 116.99 3b83 s SER 80 Ca -0.05 2.18 -0.30 0.00 0.48 0.00 0.00 55.95 58.26 3b83 s SER 80 Cb -0.14 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.33 3b83 s SER 80 CO -0.02 -2.68 1.35 -2.16 0.98 0.00 0.00 173.24 170.71 3b83 s PRO 81 N -4.48 4.35 0.31 4.02 0.04 -1.26 -4.60 135.00 133.38 3b83 s PRO 81 Ca 0.68 2.10 -0.28 0.00 0.04 0.00 0.00 61.00 63.54 3b83 s PRO 81 Cb -0.24 -3.19 -0.14 0.00 0.04 0.00 0.00 34.50 30.97 3b83 s PRO 81 CO 0.54 -0.33 1.05 -0.35 0.04 0.00 0.00 177.00 177.95 3b83 n PRO 82 N 2.94 1.48 -4.85 0.56 -0.04 -1.26 -4.88 135.00 128.95 3b83 n PRO 82 Ca 0.08 0.52 -0.33 0.00 -0.04 0.00 0.00 63.50 63.73 3b83 n PRO 82 Cb 0.42 -1.94 -0.14 0.00 -0.04 0.00 0.00 33.50 31.81 3b83 n PRO 82 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3b83 s VAL 83 N -1.08 3.04 0.27 0.52 1.01 -0.90 -4.94 120.40 118.32 3b83 s VAL 83 Ca 0.58 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.89 3b83 s VAL 83 Cb -0.67 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.43 3b83 s VAL 83 CO 0.60 0.56 0.05 -0.44 0.00 0.00 0.00 175.10 175.87 3b83 s SER 84 N -0.25 1.85 -0.11 3.32 0.01 -1.26 -1.42 113.70 115.84 3b83 s SER 84 Ca 0.01 -1.33 -0.30 0.00 1.31 0.00 0.00 55.95 55.65 3b83 s SER 84 Cb -0.13 0.02 0.12 0.00 0.21 0.00 0.00 66.02 66.24 3b83 s SER 84 CO 0.03 -0.61 0.97 0.28 0.41 0.00 0.00 173.24 174.32 3b83 s THR 85 N -3.47 0.00 0.16 1.44 -1.32 -1.03 -4.97 115.64 106.45 3b83 s THR 85 Ca 0.34 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.87 3b83 s THR 85 Cb 0.07 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.02 3b83 s THR 85 CO 0.13 0.00 -0.11 0.42 -2.21 0.00 0.00 174.62 172.84 3b83 s THR 86 N -1.86 1.29 0.19 5.08 -4.23 -1.26 -1.12 115.64 113.74 3b83 s THR 86 Ca 0.01 -2.06 -0.16 0.00 -1.18 0.00 0.00 61.69 58.30 3b83 s THR 86 Cb -0.01 -1.86 0.02 0.00 1.34 0.00 0.00 72.50 71.99 3b83 s THR 86 CO -0.02 -0.69 0.47 0.72 -0.54 0.00 0.00 174.62 174.56 3b83 s PHE 87 N -3.16 0.00 -0.09 3.99 -0.12 -0.34 -4.99 117.98 113.27 3b83 s PHE 87 Ca 0.17 -0.35 0.01 0.00 -0.05 0.00 0.00 56.93 56.70 3b83 s PHE 87 Cb 0.01 0.30 0.02 0.00 -0.63 0.00 0.00 43.02 42.72 3b83 s PHE 87 CO 0.02 -0.88 -0.09 0.99 -0.05 0.00 0.00 175.22 175.21 3b83 s THR 88 N -3.90 1.04 0.57 -4.49 2.01 -1.26 -0.27 115.64 109.34 3b83 s THR 88 Ca 0.11 -0.35 -0.20 0.00 0.31 0.00 0.00 61.69 61.56 3b83 s THR 88 Cb -0.00 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 3b83 s THR 88 CO -0.02 0.35 1.20 0.42 -0.69 0.00 0.00 174.62 175.88 3b83 s THR 89 N 1.24 2.75 1.08 -0.82 -4.23 -0.19 -4.88 115.64 110.59 3b83 s THR 89 Ca -0.04 0.48 -0.15 0.00 -1.18 0.00 0.00 61.69 60.81 3b83 s THR 89 Cb -0.14 -3.20 0.15 0.00 1.34 0.00 0.00 72.50 70.65 3b83 s THR 89 CO -0.03 -0.09 0.50 0.61 -0.54 0.00 0.00 174.62 175.08 3b83 n GLY 90 N 0.45 -2.02 3.73 3.99 0.00 -0.75 -2.46 105.19 108.13 3b83 n GLY 90 Ca 0.12 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 3b83 n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b83 s SER 91 N -2.12 5.18 0.21 1.61 1.04 -1.26 0.13 113.70 118.47 3b83 s SER 91 Ca 0.61 -0.22 -0.30 0.00 0.48 0.00 0.00 55.95 56.51 3b83 s SER 91 Cb -0.19 -1.25 -0.09 0.00 0.10 0.00 0.00 66.02 64.59 3b83 s SER 91 CO 0.65 0.10 1.30 -0.76 0.98 0.00 0.00 173.24 175.51 3b83 s LEU 92 N -2.87 4.42 -0.01 2.42 1.43 -1.26 -4.93 118.68 117.88 3b83 s LEU 92 Ca 0.29 2.40 -0.05 0.00 -1.03 0.00 0.00 54.13 55.74 3b83 s LEU 92 Cb -0.10 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 3b83 s LEU 92 CO 0.21 -0.51 0.57 -0.08 0.23 0.00 0.00 176.35 176.77 3b83 h GLU 93 N 5.22 -0.18 0.00 1.70 4.81 -2.07 -3.52 114.58 120.54 3b83 h GLU 93 Ca -0.45 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3b83 h GLU 93 Cb 1.21 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3b83 h GLU 93 CO 0.76 -0.12 0.00 0.72 -0.73 0.00 0.00 179.01 179.64