#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bb6 s GLN 3 N 0.00 1.99 -0.20 1.96 -0.21 -1.26 -4.44 119.66 117.50 3bb6 s GLN 3 Ca 0.00 -1.06 -0.18 0.00 0.02 0.00 0.00 55.36 54.14 3bb6 s GLN 3 Cb 0.00 -2.20 -0.03 0.00 1.00 0.00 0.00 33.01 31.78 3bb6 s GLN 3 CO 0.00 0.51 0.52 0.42 -2.12 0.00 0.00 175.29 174.62 3bb6 s ILE 4 N -1.08 5.11 0.22 1.08 1.01 -1.26 -5.01 121.20 121.26 3bb6 s ILE 4 Ca 0.18 0.95 -0.30 0.00 0.00 0.00 0.00 60.65 61.48 3bb6 s ILE 4 Cb -0.11 -3.84 -0.15 0.00 0.01 0.00 0.00 42.46 38.37 3bb6 s ILE 4 CO 0.09 0.18 0.92 -2.65 0.00 0.00 0.00 174.94 173.48 3bb6 n PRO 5 N 4.79 0.88 0.21 2.79 -0.02 -1.26 -4.80 135.00 137.59 3bb6 n PRO 5 Ca -0.05 0.31 0.14 0.00 -2.02 0.00 0.00 63.50 61.88 3bb6 n PRO 5 Cb 0.50 -1.62 0.73 0.00 -0.02 0.00 0.00 33.50 33.10 3bb6 n PRO 5 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3bb6 h GLN 6 N 2.11 0.00 -0.01 -0.52 4.15 -2.04 -1.83 115.11 116.98 3bb6 h GLN 6 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.04 3bb6 h GLN 6 Cb 1.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.06 3bb6 h GLN 6 CO 0.62 0.00 -0.37 0.27 -1.93 0.00 0.00 178.83 177.42 3bb6 n ASN 7 N -2.46 1.28 -4.74 -0.69 6.94 -1.26 -4.95 115.26 109.37 3bb6 n ASN 7 Ca -0.02 -1.03 -0.34 0.00 -0.02 0.00 0.00 54.58 53.17 3bb6 n ASN 7 Cb 0.08 0.28 0.07 0.00 -2.36 0.00 0.00 39.78 37.86 3bb6 n ASN 7 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 3bb6 s TYR 8 N -2.55 2.32 0.08 -2.53 1.51 -0.69 -4.32 117.35 111.17 3bb6 s TYR 8 Ca 0.21 1.58 0.06 0.00 -1.01 0.00 0.00 57.07 57.91 3bb6 s TYR 8 Cb 0.19 -3.33 -0.04 0.00 -0.11 0.00 0.00 41.96 38.67 3bb6 s TYR 8 CO 0.56 -2.16 -0.09 0.42 -1.11 0.00 0.00 175.55 173.17 3bb6 s ILE 9 N -2.14 3.41 -0.16 2.71 1.01 0.11 -4.89 121.20 121.25 3bb6 s ILE 9 Ca 0.71 -1.15 -0.25 0.00 0.00 0.00 0.00 60.65 59.96 3bb6 s ILE 9 Cb -0.25 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 3bb6 s ILE 9 CO 0.43 0.19 0.83 -2.28 0.00 0.00 0.00 174.94 174.11 3bb6 s HIS 10 N -1.15 3.44 -0.25 3.97 5.65 -1.26 -0.35 115.29 125.34 3bb6 s HIS 10 Ca 0.20 1.27 -0.11 0.00 0.25 0.00 0.00 55.06 56.68 3bb6 s HIS 10 Cb -0.11 -3.01 -0.11 0.00 -1.18 0.00 0.00 32.58 28.17 3bb6 s HIS 10 CO 0.12 -0.21 -0.31 0.25 -0.65 0.00 0.00 174.74 173.94 3bb6 n THR 11 N 4.65 1.36 -4.10 0.89 -2.24 -0.48 -4.96 114.28 109.40 3bb6 n THR 11 Ca 0.04 -0.37 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 3bb6 n THR 11 Cb 0.49 -1.77 -0.07 0.00 -2.10 0.00 0.00 70.33 66.88 3bb6 n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bb6 s ARG 12 N -2.45 1.41 0.04 -0.78 1.70 -1.24 -5.03 118.95 112.59 3bb6 s ARG 12 Ca -0.34 -1.45 -0.04 0.00 -0.47 0.00 0.00 55.73 53.43 3bb6 s ARG 12 Cb 0.13 0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 34.87 3bb6 s ARG 12 CO 0.45 -0.53 0.06 -1.12 -1.08 0.00 0.00 175.30 173.07 3bb6 s SER 13 N -3.09 0.24 0.27 -2.89 0.01 -1.26 -1.68 113.70 105.29 3bb6 s SER 13 Ca 0.30 -0.60 0.08 0.00 1.31 0.00 0.00 55.95 57.05 3bb6 s SER 13 Cb 0.03 0.20 -0.04 0.00 0.21 0.00 0.00 66.02 66.42 3bb6 s SER 13 CO 0.11 -0.49 0.12 0.42 0.41 0.00 0.00 173.24 173.81 3bb6 s THR 14 N -2.62 3.86 1.08 1.44 -4.23 -0.34 -5.00 115.64 109.83 3bb6 s THR 14 Ca -0.05 -1.63 -0.16 0.00 -1.18 0.00 0.00 61.69 58.67 3bb6 s THR 14 Cb -0.01 -3.13 0.23 0.00 1.34 0.00 0.00 72.50 70.93 3bb6 s THR 14 CO -0.05 -0.33 1.11 -2.84 -0.54 0.00 0.00 174.62 171.97 3bb6 s PRO 15 N -3.79 -0.27 0.09 3.99 0.02 -1.26 -4.42 135.00 129.37 3bb6 s PRO 15 Ca 0.33 0.19 -0.30 0.00 0.02 0.00 0.00 61.00 61.24 3bb6 s PRO 15 Cb -0.07 -1.68 -0.06 0.00 0.02 0.00 0.00 34.50 32.71 3bb6 s PRO 15 CO 0.23 -3.13 1.14 -0.06 -0.33 0.00 0.00 177.00 174.84 3bb6 s PHE 16 N -3.05 3.52 0.13 6.54 0.08 -1.26 -4.56 117.98 119.37 3bb6 s PHE 16 Ca 0.68 1.45 0.08 0.00 0.12 0.00 0.00 56.93 59.27 3bb6 s PHE 16 Cb -0.14 -3.33 -0.04 0.00 -0.57 0.00 0.00 43.02 38.94 3bb6 s PHE 16 CO 0.56 -0.89 -0.20 -1.58 -0.10 0.00 0.00 175.22 173.02 3bb6 s TRP 17 N 0.63 1.82 0.34 0.36 0.51 0.20 -4.89 118.94 117.91 3bb6 s TRP 17 Ca 0.55 -0.43 0.03 0.00 -2.12 0.00 0.00 56.10 54.13 3bb6 s TRP 17 Cb -0.28 -0.97 -0.01 0.00 -0.81 0.00 0.00 33.47 31.40 3bb6 s TRP 17 CO 0.31 0.26 0.11 0.27 -0.51 0.00 0.00 176.95 177.39 3bb6 n ASN 18 N 0.79 1.27 -0.30 2.95 0.23 -1.26 -0.90 115.26 118.04 3bb6 n ASN 18 Ca -0.17 -2.77 0.14 0.00 -0.53 0.00 0.00 54.58 51.24 3bb6 n ASN 18 Cb 0.55 0.82 0.31 0.00 -2.08 0.00 0.00 39.78 39.37 3bb6 n ASN 18 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3bb6 h LYS 19 N 0.00 0.24 0.26 -3.83 1.57 -1.85 -1.37 116.57 111.59 3bb6 h LYS 19 Ca -0.26 -0.01 -0.34 0.00 -1.87 0.00 0.00 60.65 58.16 3bb6 h LYS 19 Cb 0.99 -0.05 0.04 0.00 0.08 0.00 0.00 32.23 33.29 3bb6 h LYS 19 CO 0.42 0.16 -1.48 1.96 -0.57 0.00 0.00 179.45 179.93 3bb6 h GLN 20 N 0.24 0.54 0.02 3.15 7.50 -1.95 -3.38 115.11 121.23 3bb6 h GLN 20 Ca 0.57 -0.92 -0.23 0.00 0.50 0.00 0.00 58.65 58.56 3bb6 h GLN 20 Cb 1.15 0.34 -0.03 0.00 0.05 0.00 0.00 27.48 28.99 3bb6 h GLN 20 CO -0.63 1.44 -1.15 1.79 -1.50 0.00 0.00 178.83 178.78 3bb6 h THR 21 N 0.15 1.54 -4.21 -0.54 1.35 -1.84 -3.47 112.91 105.88 3bb6 h THR 21 Ca -0.26 -3.26 -0.52 0.00 -0.55 0.00 0.00 66.41 61.83 3bb6 h THR 21 Cb 2.17 2.79 0.14 0.00 -1.73 0.00 0.00 68.15 71.52 3bb6 h THR 21 CO 0.28 0.89 0.36 0.00 -0.25 0.00 0.00 175.52 176.79 3bb6 s ALA 22 N -2.68 2.19 0.14 6.62 0.00 -0.55 -4.84 121.76 122.64 3bb6 s ALA 22 Ca -0.01 0.65 -0.31 0.00 0.00 0.00 0.00 51.96 52.29 3bb6 s ALA 22 Cb 0.09 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 3bb6 s ALA 22 CO 0.83 -1.74 1.55 -1.25 0.00 0.00 0.00 175.76 175.15 3bb6 s PRO 23 N -4.18 4.23 0.32 0.00 0.04 -1.26 -4.86 135.00 129.30 3bb6 s PRO 23 Ca 0.69 2.31 0.11 0.00 0.04 0.00 0.00 61.00 64.15 3bb6 s PRO 23 Cb -0.24 -3.23 0.96 0.00 0.04 0.00 0.00 34.50 32.03 3bb6 s PRO 23 CO 0.46 -0.60 1.67 0.00 0.04 0.00 0.00 177.00 178.58 3bb6 h ALA 24 N 7.01 1.77 0.00 8.56 0.00 -1.92 -1.51 119.26 133.17 3bb6 h ALA 24 Ca -0.42 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3bb6 h ALA 24 Cb 1.20 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3bb6 h ALA 24 CO 0.91 -0.48 0.08 0.78 0.00 0.00 0.00 179.25 180.54 3bb6 h GLY 25 N 0.36 0.00 2.00 0.00 0.00 -1.94 -2.39 103.07 101.10 3bb6 h GLY 25 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.00 3bb6 h GLY 25 CO -0.59 0.00 0.00 1.19 0.00 0.00 0.00 176.54 177.14 3bb6 h ILE 26 N 0.00 0.00 -0.08 2.60 2.10 -1.64 -2.61 117.51 117.88 3bb6 h ILE 26 Ca 0.00 -0.32 0.00 0.00 1.08 0.00 0.00 64.86 65.62 3bb6 h ILE 26 Cb 0.17 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 3bb6 h ILE 26 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 3bb6 n PHE 27 N -2.42 0.07 -4.34 2.19 3.72 -0.90 -2.33 117.46 113.45 3bb6 n PHE 27 Ca 0.02 -0.04 -0.23 0.00 -0.05 0.00 0.00 57.45 57.15 3bb6 n PHE 27 Cb 0.26 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.72 3bb6 n PHE 27 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3bb6 s GLU 28 N -1.93 2.12 0.31 -1.08 2.02 -0.98 -4.64 118.70 114.52 3bb6 s GLU 28 Ca 0.33 -1.51 -0.29 0.00 0.02 0.00 0.00 54.97 53.51 3bb6 s GLU 28 Cb 0.20 -2.05 -0.12 0.00 0.10 0.00 0.00 34.13 32.26 3bb6 s GLU 28 CO 0.31 0.36 1.45 -2.13 0.02 0.00 0.00 175.26 175.26 3bb6 n ARG 29 N -0.80 2.38 -3.83 1.61 0.63 -1.26 -4.41 116.66 110.98 3bb6 n ARG 29 Ca -0.06 0.84 -0.04 0.00 -0.92 0.00 0.00 57.85 57.67 3bb6 n ARG 29 Cb 0.59 -2.53 0.01 0.00 0.45 0.00 0.00 32.46 30.98 3bb6 n ARG 29 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 3bb6 s HIS 30 N -0.53 0.01 -0.05 -0.14 -3.43 0.15 -4.89 115.29 106.40 3bb6 s HIS 30 Ca 0.60 -0.41 0.06 0.00 -0.80 0.00 0.00 55.06 54.52 3bb6 s HIS 30 Cb -0.55 0.70 -0.01 0.00 -1.43 0.00 0.00 32.58 31.29 3bb6 s HIS 30 CO 0.56 -0.96 -0.24 -0.51 -2.00 0.00 0.00 174.74 171.58 3bb6 s LEU 31 N -3.21 2.05 -0.27 5.38 1.43 -1.26 -1.28 118.68 121.53 3bb6 s LEU 31 Ca 0.18 -0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 3bb6 s LEU 31 Cb -0.02 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 3bb6 s LEU 31 CO 0.05 0.24 0.49 -1.81 0.23 0.00 0.00 176.35 175.55 3bb6 s ASP 32 N -0.17 6.39 0.36 2.29 1.01 -1.26 -5.05 116.67 120.25 3bb6 s ASP 32 Ca -0.03 0.44 0.07 0.00 0.71 0.00 0.00 52.55 53.74 3bb6 s ASP 32 Cb -0.13 -2.27 -0.07 0.00 1.01 0.00 0.00 42.92 41.46 3bb6 s ASP 32 CO 0.03 -0.28 -0.02 -0.54 0.21 0.00 0.00 175.17 174.57 3bb6 s LYS 33 N 2.28 1.81 0.00 8.23 -0.14 -1.26 -4.57 119.74 126.09 3bb6 s LYS 33 Ca 0.20 -1.99 0.00 0.00 -1.36 0.00 0.00 55.97 52.82 3bb6 s LYS 33 Cb -0.16 -1.46 0.00 0.00 -1.68 0.00 0.00 37.83 34.53 3bb6 s LYS 33 CO 0.10 -0.01 0.00 0.41 -0.76 0.00 0.00 175.35 175.09 3bb6 n GLY 34 N -0.82 5.47 0.10 -3.33 0.00 -1.26 -5.02 105.19 100.32 3bb6 n GLY 34 Ca -0.05 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 3bb6 n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bb6 n THR 35 N 0.00 1.64 -4.23 2.61 -2.24 -1.26 -4.93 114.28 105.88 3bb6 n THR 35 Ca 0.00 -0.76 -0.27 0.00 -2.27 0.00 0.00 64.05 60.75 3bb6 n THR 35 Cb 0.00 -1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 66.97 3bb6 n THR 35 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3bb6 s ARG 36 N -2.58 2.21 0.74 -0.78 0.52 -1.26 -5.15 118.95 112.64 3bb6 s ARG 36 Ca -0.10 -1.99 -0.03 0.00 -0.52 0.00 0.00 55.73 53.09 3bb6 s ARG 36 Cb 0.08 -1.90 0.13 0.00 0.52 0.00 0.00 34.95 33.77 3bb6 s ARG 36 CO 0.81 -0.25 1.02 -2.14 0.02 0.00 0.00 175.30 174.76 3bb6 s PRO 37 N -3.96 1.63 -1.24 3.54 0.02 -1.26 -4.58 135.00 129.14 3bb6 s PRO 37 Ca 0.33 -0.98 -0.03 0.00 0.02 0.00 0.00 61.00 60.35 3bb6 s PRO 37 Cb 0.03 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 32.27 3bb6 s PRO 37 CO 0.19 -1.51 0.38 0.41 -0.33 0.00 0.00 177.00 176.13 3bb6 n GLY 38 N -2.92 -0.26 3.73 0.52 0.00 -1.26 -4.86 105.19 100.14 3bb6 n GLY 38 Ca 0.14 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3bb6 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bb6 s VAL 39 N -2.99 4.59 -0.28 1.61 1.01 -1.26 -4.61 120.40 118.48 3bb6 s VAL 39 Ca 0.19 1.96 -0.09 0.00 0.00 0.00 0.00 61.98 64.03 3bb6 s VAL 39 Cb -0.08 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 3bb6 s VAL 39 CO 0.23 0.31 0.14 -0.31 0.00 0.00 0.00 175.10 175.47 3bb6 s TYR 40 N 0.08 3.16 0.13 5.22 1.51 -0.13 -4.47 117.35 122.84 3bb6 s TYR 40 Ca 0.45 -0.27 -0.14 0.00 -1.01 0.00 0.00 57.07 56.10 3bb6 s TYR 40 Cb -0.22 -2.32 -0.07 0.00 -0.11 0.00 0.00 41.96 39.24 3bb6 s TYR 40 CO 0.28 -0.32 0.52 -2.14 -1.11 0.00 0.00 175.55 172.79 3bb6 s PRO 41 N 1.67 3.96 -0.24 -1.71 0.02 -1.26 -0.85 135.00 136.59 3bb6 s PRO 41 Ca 0.06 0.45 0.00 0.00 0.02 0.00 0.00 61.00 61.54 3bb6 s PRO 41 Cb -0.16 -2.97 0.06 0.00 0.02 0.00 0.00 34.50 31.46 3bb6 s PRO 41 CO 0.07 0.51 -0.03 0.50 -0.33 0.00 0.00 177.00 177.72 3bb6 s ARG 42 N -1.88 1.44 -0.25 5.54 3.52 0.16 -1.13 118.95 126.34 3bb6 s ARG 42 Ca 0.36 -0.94 -0.14 0.00 -0.13 0.00 0.00 55.73 54.88 3bb6 s ARG 42 Cb -0.15 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.68 3bb6 s ARG 42 CO 0.19 -0.63 0.33 -1.17 -0.81 0.00 0.00 175.30 173.21 3bb6 s LEU 43 N 1.45 4.07 -0.17 -0.88 0.20 -0.70 -1.21 118.68 121.45 3bb6 s LEU 43 Ca -0.04 0.29 -0.02 0.00 0.69 0.00 0.00 54.13 55.04 3bb6 s LEU 43 Cb -0.19 -2.38 -0.02 0.00 -0.43 0.00 0.00 46.19 43.18 3bb6 s LEU 43 CO -0.07 -0.12 -0.07 -0.44 -0.29 0.00 0.00 176.35 175.36 3bb6 s SER 44 N 1.45 4.31 0.62 3.68 0.01 -0.48 -2.07 113.70 121.21 3bb6 s SER 44 Ca 0.14 -0.31 0.03 0.00 1.31 0.00 0.00 55.95 57.13 3bb6 s SER 44 Cb -0.15 -1.70 0.08 0.00 0.21 0.00 0.00 66.02 64.46 3bb6 s SER 44 CO 0.09 0.09 0.85 0.54 0.41 0.00 0.00 173.24 175.23 3bb6 s VAL 45 N 0.80 2.34 0.39 3.43 0.11 -0.92 -2.07 120.40 124.48 3bb6 s VAL 45 Ca -0.03 -0.75 -0.26 0.00 -2.93 0.00 0.00 61.98 58.01 3bb6 s VAL 45 Cb -0.15 -2.59 -0.11 0.00 -1.53 0.00 0.00 36.38 32.00 3bb6 s VAL 45 CO 0.01 0.00 1.21 1.57 -3.33 0.00 0.00 175.10 174.57 3bb6 n HIS 47 N -2.48 1.95 -3.72 1.54 -0.00 -1.16 -1.36 115.22 109.98 3bb6 n HIS 47 Ca 0.13 0.54 0.00 0.00 -0.00 0.00 0.00 57.72 58.38 3bb6 n HIS 47 Cb 0.60 -2.35 0.00 0.00 -0.00 0.00 0.00 29.99 28.24 3bb6 n HIS 47 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3bb6 n GLY 48 N 0.89 0.26 3.24 1.57 0.00 -1.26 -2.23 105.19 107.66 3bb6 n GLY 48 Ca 0.07 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 3bb6 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bb6 s ALA 49 N -1.85 -0.72 -0.02 4.61 0.00 -1.26 -1.80 121.76 120.71 3bb6 s ALA 49 Ca 0.00 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.14 3bb6 s ALA 49 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.32 3bb6 s ALA 49 CO 0.00 -0.34 -0.09 0.08 0.00 0.00 0.00 175.76 175.41 3bb6 s VAL 50 N -1.96 0.74 -0.13 0.00 1.01 0.48 -4.42 120.40 116.12 3bb6 s VAL 50 Ca -0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 3bb6 s VAL 50 Cb -0.03 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 3bb6 s VAL 50 CO 0.00 0.23 -0.04 -0.75 0.00 0.00 0.00 175.10 174.54 3bb6 s LYS 51 N 0.07 3.38 -0.13 2.72 2.20 -0.02 0.09 119.74 128.05 3bb6 s LYS 51 Ca -0.01 -0.52 -0.05 0.00 -0.36 0.00 0.00 55.97 55.03 3bb6 s LYS 51 Cb -0.07 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 33.39 3bb6 s LYS 51 CO 0.00 0.39 0.07 -0.47 -0.36 0.00 0.00 175.35 174.99 3bb6 s TYR 52 N -0.05 3.35 -0.22 4.03 6.14 0.71 -1.40 117.35 129.91 3bb6 s TYR 52 Ca 0.01 0.29 -0.00 0.00 0.64 0.00 0.00 57.07 58.01 3bb6 s TYR 52 Cb -0.13 -1.93 0.06 0.00 0.42 0.00 0.00 41.96 40.38 3bb6 s TYR 52 CO 0.03 0.49 -0.03 -0.51 0.64 0.00 0.00 175.55 176.16 3bb6 s LEU 53 N -0.59 2.15 0.08 6.97 1.43 -0.50 -2.01 118.68 126.20 3bb6 s LEU 53 Ca 0.11 -1.04 0.03 0.00 -1.03 0.00 0.00 54.13 52.20 3bb6 s LEU 53 Cb -0.12 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 3bb6 s LEU 53 CO 0.02 -0.25 0.10 -0.83 0.23 0.00 0.00 176.35 175.62 3bb6 s GLY 54 N 1.53 2.04 0.31 -3.19 0.00 -0.35 -1.79 107.32 105.87 3bb6 s GLY 54 Ca -0.04 -0.99 0.08 0.00 0.00 0.00 0.00 44.72 43.77 3bb6 s GLY 54 CO -0.07 -0.97 -0.08 -0.19 0.00 0.00 0.00 173.10 171.79 3bb6 s TYR 55 N -1.41 2.17 0.14 1.90 1.51 -0.16 -0.62 117.35 120.89 3bb6 s TYR 55 Ca 0.30 -0.60 -0.11 0.00 -1.01 0.00 0.00 57.07 55.65 3bb6 s TYR 55 Cb -0.12 -1.24 -0.02 0.00 -0.11 0.00 0.00 41.96 40.46 3bb6 s TYR 55 CO 0.23 0.43 1.51 0.00 -1.11 0.00 0.00 175.55 176.61 3bb6 h ALA 56 N 2.15 0.61 -2.41 3.71 0.00 -1.88 -3.39 119.26 118.05 3bb6 h ALA 56 Ca -0.41 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.08 3bb6 h ALA 56 Cb 1.24 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3bb6 h ALA 56 CO 0.69 0.63 0.00 -0.40 0.00 0.00 0.00 179.25 180.17 3bb6 n ASP 57 N -4.13 -0.10 0.31 0.00 5.68 -1.26 -4.91 116.55 112.14 3bb6 n ASP 57 Ca -0.01 -1.10 0.19 0.00 -0.50 0.00 0.00 54.79 53.37 3bb6 n ASP 57 Cb 0.48 0.17 0.95 0.00 -1.14 0.00 0.00 41.12 41.58 3bb6 n ASP 57 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3bb6 h GLU 58 N 0.00 0.00 0.00 0.11 4.81 -1.96 -3.30 114.58 114.24 3bb6 h GLU 58 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3bb6 h GLU 58 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3bb6 h GLU 58 CO 0.02 0.02 0.00 0.72 -0.73 0.00 0.00 179.01 179.04 3bb6 n HIS 59 N -3.17 0.00 -1.62 0.92 8.25 -1.26 -5.05 115.22 113.29 3bb6 n HIS 59 Ca -0.01 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.01 3bb6 n HIS 59 Cb 0.18 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 3bb6 n HIS 59 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3bb6 n SER 60 N -0.67 1.74 0.02 0.41 3.41 -1.24 -4.90 113.62 112.39 3bb6 n SER 60 Ca 0.00 1.18 -0.10 0.00 -0.26 0.00 0.00 58.87 59.70 3bb6 n SER 60 Cb 0.01 -1.35 0.04 0.00 -0.26 0.00 0.00 64.21 62.65 3bb6 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bb6 h ALA 61 N 2.14 0.64 -3.46 7.33 0.00 -1.96 -3.46 119.26 120.49 3bb6 h ALA 61 Ca -0.42 -0.55 -0.66 0.00 0.00 0.00 0.00 54.91 53.28 3bb6 h ALA 61 Cb 1.32 -0.07 -0.20 0.00 0.00 0.00 0.00 17.79 18.84 3bb6 h ALA 61 CO 0.61 0.72 -0.84 -1.21 0.00 0.00 0.00 179.25 178.53 3bb6 s GLU 62 N -3.83 1.46 0.61 0.00 0.41 -1.26 -5.12 118.70 110.97 3bb6 s GLU 62 Ca -0.07 -1.45 -0.18 0.00 -0.41 0.00 0.00 54.97 52.86 3bb6 s GLU 62 Cb 0.11 -1.84 -0.03 0.00 -1.78 0.00 0.00 34.13 30.59 3bb6 s GLU 62 CO 0.84 0.41 1.17 -1.25 -0.49 0.00 0.00 175.26 175.94 3bb6 s PRO 63 N -2.43 2.93 -0.04 0.39 0.04 -1.26 -4.69 135.00 129.94 3bb6 s PRO 63 Ca 0.18 1.67 0.11 0.00 0.04 0.00 0.00 61.00 63.00 3bb6 s PRO 63 Cb -0.09 -1.94 0.32 0.00 0.04 0.00 0.00 34.50 32.83 3bb6 s PRO 63 CO 0.08 -1.20 1.26 -0.40 0.04 0.00 0.00 177.00 176.78 3bb6 n ASP 64 N -1.82 3.02 -3.63 6.66 5.75 0.21 -4.95 116.55 121.78 3bb6 n ASP 64 Ca 0.12 -2.22 -0.02 0.00 -0.01 0.00 0.00 54.79 52.66 3bb6 n ASP 64 Cb 0.51 -0.28 -0.06 0.00 -1.03 0.00 0.00 41.12 40.26 3bb6 n ASP 64 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3bb6 s GLN 65 N -1.40 0.39 -0.06 0.11 0.74 -1.18 -4.99 119.66 113.27 3bb6 s GLN 65 Ca 0.25 0.69 0.01 0.00 0.05 0.00 0.00 55.36 56.36 3bb6 s GLN 65 Cb 0.16 0.10 0.02 0.00 1.10 0.00 0.00 33.01 34.39 3bb6 s GLN 65 CO 0.13 -0.09 -0.06 0.08 -0.55 0.00 0.00 175.29 174.80 3bb6 s VAL 66 N 1.43 0.73 -0.12 1.34 1.01 -1.26 -1.21 120.40 122.32 3bb6 s VAL 66 Ca -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3bb6 s VAL 66 Cb -0.04 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.63 3bb6 s VAL 66 CO -0.15 0.28 -0.11 -0.63 0.00 0.00 0.00 175.10 174.48 3bb6 s ILE 67 N 1.05 1.27 -0.18 2.22 1.01 -0.85 -4.98 121.20 120.74 3bb6 s ILE 67 Ca -0.08 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 3bb6 s ILE 67 Cb -0.14 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 3bb6 s ILE 67 CO -0.01 0.41 0.32 -0.22 0.00 0.00 0.00 174.94 175.44 3bb6 s LEU 68 N 1.46 4.20 -0.21 2.97 2.96 -1.26 -0.21 118.68 128.59 3bb6 s LEU 68 Ca 0.02 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.40 3bb6 s LEU 68 Cb -0.13 -2.40 0.02 0.00 0.50 0.00 0.00 46.19 44.18 3bb6 s LEU 68 CO -0.07 0.03 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.23 3bb6 s ILE 69 N 0.83 2.44 0.35 6.68 1.01 0.11 -4.99 121.20 127.63 3bb6 s ILE 69 Ca 0.17 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.86 3bb6 s ILE 69 Cb -0.14 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 3bb6 s ILE 69 CO 0.05 0.37 0.51 -1.61 0.00 0.00 0.00 174.94 174.26 3bb6 s GLU 70 N 1.30 3.17 0.17 2.79 0.41 -1.26 -0.39 118.70 124.89 3bb6 s GLU 70 Ca 0.02 -0.79 -0.33 0.00 -0.41 0.00 0.00 54.97 53.46 3bb6 s GLU 70 Cb -0.15 -2.75 -0.13 0.00 -1.78 0.00 0.00 34.13 29.32 3bb6 s GLU 70 CO -0.09 0.03 1.62 0.00 -0.49 0.00 0.00 175.26 176.33 3bb6 n ALA 71 N -1.74 1.69 -0.13 5.21 0.00 -0.75 -1.34 120.51 123.47 3bb6 n ALA 71 Ca -0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3bb6 n ALA 71 Cb 0.58 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3bb6 n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bb6 n GLY 72 N 3.56 0.75 3.38 0.00 0.00 -0.46 -4.97 105.19 107.43 3bb6 n GLY 72 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 3bb6 n GLY 72 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bb6 s GLN 73 N -0.87 1.44 0.10 1.61 -0.21 -0.45 -5.04 119.66 116.24 3bb6 s GLN 73 Ca 0.00 -1.72 -0.03 0.00 0.02 0.00 0.00 55.36 53.63 3bb6 s GLN 73 Cb 0.00 -0.93 -0.03 0.00 1.00 0.00 0.00 33.01 33.05 3bb6 s GLN 73 CO 0.00 -0.00 0.08 -0.59 -2.12 0.00 0.00 175.29 172.65 3bb6 s PHE 74 N -3.18 0.60 -0.07 0.91 -0.12 -1.26 -2.17 117.98 112.70 3bb6 s PHE 74 Ca 0.28 -1.04 -0.05 0.00 -0.05 0.00 0.00 56.93 56.07 3bb6 s PHE 74 Cb 0.04 -0.34 0.03 0.00 -0.63 0.00 0.00 43.02 42.12 3bb6 s PHE 74 CO 0.10 -0.50 0.17 0.00 -0.05 0.00 0.00 175.22 174.93 3bb6 s ALA 75 N -3.97 -0.38 -0.06 1.99 0.00 -0.88 -5.00 121.76 113.46 3bb6 s ALA 75 Ca 0.15 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 52.58 3bb6 s ALA 75 Cb 0.07 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 3bb6 s ALA 75 CO -0.04 -0.12 0.32 0.14 0.00 0.00 0.00 175.76 176.06 3bb6 s VAL 76 N 0.57 5.21 -0.01 0.00 -7.23 -1.26 -1.72 120.40 115.95 3bb6 s VAL 76 Ca -0.04 0.62 -0.11 0.00 -1.81 0.00 0.00 61.98 60.64 3bb6 s VAL 76 Cb -0.05 -3.61 -0.05 0.00 0.56 0.00 0.00 36.38 33.22 3bb6 s VAL 76 CO -0.03 0.56 0.34 -0.36 -0.31 0.00 0.00 175.10 175.30 3bb6 s PHE 77 N -0.81 3.66 0.14 2.82 0.08 -0.28 -4.71 117.98 118.88 3bb6 s PHE 77 Ca 0.20 0.82 -0.33 0.00 0.12 0.00 0.00 56.93 57.74 3bb6 s PHE 77 Cb -0.15 -2.16 -0.12 0.00 -0.57 0.00 0.00 43.02 40.02 3bb6 s PHE 77 CO 0.09 0.64 1.71 -2.30 -0.10 0.00 0.00 175.22 175.26 3bb6 n PRO 78 N 1.63 2.46 -1.81 0.24 -0.02 -1.26 -4.19 135.00 132.04 3bb6 n PRO 78 Ca -0.14 0.89 -0.36 0.00 -2.02 0.00 0.00 63.50 61.87 3bb6 n PRO 78 Cb 0.53 -2.72 0.06 0.00 -0.02 0.00 0.00 33.50 31.35 3bb6 n PRO 78 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3bb6 s PRO 79 N 1.71 2.67 -1.21 0.52 0.02 -1.26 -3.15 135.00 134.30 3bb6 s PRO 79 Ca 0.80 1.90 -0.01 0.00 0.02 0.00 0.00 61.00 63.72 3bb6 s PRO 79 Cb -0.59 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.05 3bb6 s PRO 79 CO 0.38 -1.46 0.05 0.39 -0.33 0.00 0.00 177.00 176.02 3bb6 n GLU 80 N -1.90 -2.29 -4.62 5.54 -0.58 -1.26 -4.95 120.64 110.57 3bb6 n GLU 80 Ca 0.14 0.67 -0.33 0.00 -0.42 0.00 0.00 57.16 57.23 3bb6 n GLU 80 Cb 0.49 -5.30 -0.16 0.00 -0.57 0.00 0.00 31.44 25.91 3bb6 n GLU 80 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3bb6 s LYS 81 N -5.11 3.14 0.34 3.49 2.20 -1.19 -5.08 119.74 117.53 3bb6 s LYS 81 Ca 0.03 -0.79 -0.29 0.00 -0.36 0.00 0.00 55.97 54.56 3bb6 s LYS 81 Cb -0.02 -2.54 -0.11 0.00 -1.51 0.00 0.00 37.83 33.66 3bb6 s LYS 81 CO 0.04 0.02 1.48 -1.58 -0.36 0.00 0.00 175.35 174.94 3bb6 s TRP 82 N 0.78 2.72 0.16 4.03 0.52 -1.26 -4.75 118.94 121.14 3bb6 s TRP 82 Ca -0.07 1.12 -0.23 0.00 0.02 0.00 0.00 56.10 56.94 3bb6 s TRP 82 Cb -0.16 -3.96 0.08 0.00 -1.15 0.00 0.00 33.47 28.28 3bb6 s TRP 82 CO -0.00 -2.91 1.07 -3.38 0.02 0.00 0.00 176.95 171.75 3bb6 s HIS 83 N -0.82 0.05 0.14 -1.98 -3.43 -0.40 -0.99 115.29 107.85 3bb6 s HIS 83 Ca 0.55 -0.41 -0.19 0.00 -0.80 0.00 0.00 55.06 54.20 3bb6 s HIS 83 Cb -0.45 0.68 0.05 0.00 -1.43 0.00 0.00 32.58 31.43 3bb6 s HIS 83 CO 0.57 -0.83 0.50 0.54 -2.00 0.00 0.00 174.74 173.52 3bb6 s ASN 84 N -3.43 -0.39 0.43 7.38 4.22 -0.74 0.32 114.94 122.73 3bb6 s ASN 84 Ca 0.22 -0.15 0.07 0.00 -2.14 0.00 0.00 52.86 50.85 3bb6 s ASN 84 Cb -0.02 0.53 -0.04 0.00 1.28 0.00 0.00 41.25 43.00 3bb6 s ASN 84 CO 0.04 -0.90 0.17 0.27 -2.04 0.00 0.00 177.10 174.64 3bb6 s ILE 85 N -3.72 2.11 -0.15 0.54 -4.36 -0.99 -1.41 121.20 113.22 3bb6 s ILE 85 Ca 0.02 -1.74 -0.07 0.00 -0.26 0.00 0.00 60.65 58.60 3bb6 s ILE 85 Cb 0.00 -2.84 0.06 0.00 1.25 0.00 0.00 42.46 40.93 3bb6 s ILE 85 CO -0.12 0.00 0.34 -0.70 0.24 0.00 0.00 174.94 174.70 3bb6 s GLU 86 N -3.92 0.29 0.00 0.37 2.12 -0.49 -4.44 118.70 112.63 3bb6 s GLU 86 Ca 0.37 0.73 0.00 0.00 0.36 0.00 0.00 54.97 56.42 3bb6 s GLU 86 Cb 0.04 -0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.41 3bb6 s GLU 86 CO 0.20 -0.19 0.00 0.00 -0.54 0.00 0.00 175.26 174.73 3bb6 n ALA 87 N 4.52 0.00 -0.75 6.30 0.00 -1.26 -0.84 120.51 128.49 3bb6 n ALA 87 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.96 3bb6 n ALA 87 Cb 0.53 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.01 3bb6 n ALA 87 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3bb6 n THR 89 N -1.52 0.00 0.20 0.00 -2.24 -1.26 -4.98 114.28 104.48 3bb6 n THR 89 Ca 0.00 -0.15 0.07 0.00 -2.27 0.00 0.00 64.05 61.71 3bb6 n THR 89 Cb 0.00 0.00 0.37 0.00 -2.10 0.00 0.00 70.33 68.60 3bb6 n THR 89 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3bb6 h ASP 90 N -0.75 0.00 0.74 3.42 3.32 -2.01 -3.07 116.42 118.07 3bb6 h ASP 90 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3bb6 h ASP 90 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3bb6 h ASP 90 CO 0.16 0.31 -0.35 0.47 -1.72 0.00 0.00 179.24 178.11 3bb6 n ASP 91 N -3.44 0.40 -4.74 6.45 9.92 -1.26 -4.72 116.55 119.16 3bb6 n ASP 91 Ca 0.00 0.05 -0.42 0.00 -0.53 0.00 0.00 54.79 53.90 3bb6 n ASP 91 Cb 0.49 -0.02 -0.02 0.00 -0.64 0.00 0.00 41.12 40.93 3bb6 n ASP 91 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3bb6 s THR 92 N -3.03 2.11 0.01 -3.53 2.01 -1.16 -4.72 115.64 107.34 3bb6 s THR 92 Ca 0.11 0.09 -0.06 0.00 0.31 0.00 0.00 61.69 62.14 3bb6 s THR 92 Cb 0.17 -3.06 -0.00 0.00 0.01 0.00 0.00 72.50 69.62 3bb6 s THR 92 CO 0.65 0.01 0.11 -0.72 -0.69 0.00 0.00 174.62 173.98 3bb6 s TYR 93 N 0.47 0.10 0.35 4.92 -0.85 -0.94 -4.33 117.35 117.07 3bb6 s TYR 93 Ca 0.67 -0.26 -0.12 0.00 -0.52 0.00 0.00 57.07 56.85 3bb6 s TYR 93 Cb -0.48 -0.09 0.03 0.00 0.38 0.00 0.00 41.96 41.81 3bb6 s TYR 93 CO 0.41 -0.29 0.66 -0.59 -1.52 0.00 0.00 175.55 174.23 3bb6 s PHE 94 N -1.63 0.42 0.11 -3.49 -0.71 -0.08 -3.01 117.98 109.59 3bb6 s PHE 94 Ca -0.13 -0.91 -0.04 0.00 -1.04 0.00 0.00 56.93 54.80 3bb6 s PHE 94 Cb -0.07 0.49 -0.02 0.00 -1.21 0.00 0.00 43.02 42.20 3bb6 s PHE 94 CO 0.00 -1.37 0.12 0.54 -1.34 0.00 0.00 175.22 173.17 3bb6 s ASN 95 N -3.11 0.25 -0.05 1.98 4.22 -0.88 0.61 114.94 117.96 3bb6 s ASN 95 Ca 0.20 -0.97 0.03 0.00 -2.14 0.00 0.00 52.86 49.98 3bb6 s ASN 95 Cb -0.03 0.32 0.01 0.00 1.28 0.00 0.00 41.25 42.82 3bb6 s ASN 95 CO 0.14 -0.74 -0.12 -0.63 -2.04 0.00 0.00 177.10 173.71 3bb6 s ILE 96 N -3.96 1.06 -0.06 0.54 1.01 -1.26 -1.38 121.20 117.14 3bb6 s ILE 96 Ca 0.15 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.34 3bb6 s ILE 96 Cb 0.06 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 3bb6 s ILE 96 CO -0.04 0.33 -0.11 -1.81 0.00 0.00 0.00 174.94 173.31 3bb6 s ASP 97 N 0.38 4.33 -0.05 3.58 1.01 -0.35 -1.20 116.67 124.38 3bb6 s ASP 97 Ca -0.08 -0.11 0.05 0.00 0.71 0.00 0.00 52.55 53.11 3bb6 s ASP 97 Cb -0.12 -1.00 -0.02 0.00 1.01 0.00 0.00 42.92 42.78 3bb6 s ASP 97 CO 0.02 0.35 -0.18 -0.36 0.21 0.00 0.00 175.17 175.22 3bb6 s PHE 98 N -0.77 2.60 -0.01 4.23 0.40 -0.68 0.36 117.98 124.11 3bb6 s PHE 98 Ca 0.12 -0.31 0.06 0.00 -0.60 0.00 0.00 56.93 56.20 3bb6 s PHE 98 Cb -0.11 -1.61 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 3bb6 s PHE 98 CO 0.01 0.07 -0.19 -0.06 0.70 0.00 0.00 175.22 175.74 3bb6 s PHE 99 N -0.57 1.74 0.16 0.36 0.40 -0.03 -1.38 117.98 118.65 3bb6 s PHE 99 Ca 0.08 -0.33 0.07 0.00 -0.60 0.00 0.00 56.93 56.15 3bb6 s PHE 99 Cb -0.11 -1.11 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 3bb6 s PHE 99 CO 0.01 -0.01 -0.16 0.08 0.70 0.00 0.00 175.22 175.83 3bb6 s VAL 100 N -0.51 1.64 0.66 -0.44 1.01 0.53 -0.96 120.40 122.33 3bb6 s VAL 100 Ca 0.07 -1.90 -0.17 0.00 0.00 0.00 0.00 61.98 59.98 3bb6 s VAL 100 Cb -0.08 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 3bb6 s VAL 100 CO -0.00 -0.40 1.22 0.00 0.00 0.00 0.00 175.10 175.92 3bb6 s ALA 101 N -2.24 2.34 0.44 5.51 0.00 -1.26 0.09 121.76 126.64 3bb6 s ALA 101 Ca 0.15 0.99 -0.07 0.00 0.00 0.00 0.00 51.96 53.03 3bb6 s ALA 101 Cb -0.05 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 3bb6 s ALA 101 CO 0.05 -1.54 0.76 -1.25 0.00 0.00 0.00 175.76 173.78 3bb6 s PRO 102 N -3.59 3.62 -0.20 0.00 0.04 -1.26 -4.75 135.00 128.86 3bb6 s PRO 102 Ca 0.77 0.25 -0.05 0.00 0.04 0.00 0.00 61.00 62.01 3bb6 s PRO 102 Cb -0.31 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 3bb6 s PRO 102 CO 0.39 -0.11 0.01 -1.21 0.04 0.00 0.00 177.00 176.12 3bb6 s GLU 103 N -4.36 3.66 -0.34 4.56 0.41 -1.26 -5.08 118.70 116.29 3bb6 s GLU 103 Ca 0.48 -0.50 -0.01 0.00 -0.41 0.00 0.00 54.97 54.54 3bb6 s GLU 103 Cb -0.10 -3.10 0.08 0.00 -1.78 0.00 0.00 34.13 29.23 3bb6 s GLU 103 CO 0.39 0.04 0.07 0.08 -0.49 0.00 0.00 175.26 175.35 3bb6 s VAL 104 N 0.93 2.88 0.00 2.63 1.01 -1.26 -5.26 120.40 121.33 3bb6 s VAL 104 Ca 0.02 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.18 3bb6 s VAL 104 Cb -0.14 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.38 3bb6 s VAL 104 CO 0.02 -0.39 0.00 0.18 0.00 0.00 0.00 175.10 174.91 3bb6 n LEU 105 N 4.53 0.00 -3.76 3.92 4.77 -1.26 -5.31 117.00 119.89 3bb6 n LEU 105 Ca -0.06 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.89 3bb6 n LEU 105 Cb 0.42 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 3bb6 n LEU 105 CO 0.27 0.00 0.76 -1.83 -1.33 0.00 0.00 177.39 175.26 3bb6 s GLU 107 N 4.17 1.14 0.55 3.23 -1.05 -1.26 -5.28 118.70 120.20 3bb6 s GLU 107 Ca 0.00 -0.64 0.05 0.00 -0.15 0.00 0.00 54.97 54.22 3bb6 s GLU 107 Cb 0.00 0.38 0.05 0.00 -0.44 0.00 0.00 34.13 34.11 3bb6 s GLU 107 CO 0.00 -0.52 0.38 0.41 0.95 0.00 0.00 175.26 176.47 3bb6 n GLY 108 N -0.50 2.81 0.08 -3.83 0.00 -1.26 -5.05 105.19 97.45 3bb6 n GLY 108 Ca -0.06 -2.31 -0.05 0.00 0.00 0.00 0.00 46.02 43.60 3bb6 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bb6 h ALA 109 N 0.72 0.48 -1.56 4.61 0.00 -2.09 -3.46 119.26 117.95 3bb6 h ALA 109 Ca -0.35 -0.88 -0.44 0.00 0.00 0.00 0.00 54.91 53.24 3bb6 h ALA 109 Cb 1.27 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.01 3bb6 h ALA 109 CO 0.56 1.15 -0.31 -0.65 0.00 0.00 0.00 179.25 180.00 3bb6 s GLN 110 N -2.76 2.85 0.50 0.00 -0.21 -1.26 -5.12 119.66 113.66 3bb6 s GLN 110 Ca 0.01 -1.24 -0.02 0.00 0.02 0.00 0.00 55.36 54.13 3bb6 s GLN 110 Cb 0.09 -2.70 -0.00 0.00 1.00 0.00 0.00 33.01 31.40 3bb6 s GLN 110 CO 0.80 -0.16 0.76 -0.65 -2.12 0.00 0.00 175.29 173.92 3bb6 s GLN 111 N -4.25 3.08 -0.37 2.91 -0.21 -1.26 -5.03 119.66 114.52 3bb6 s GLN 111 Ca 0.51 -0.25 -0.26 0.00 0.02 0.00 0.00 55.36 55.38 3bb6 s GLN 111 Cb -0.09 -2.44 0.02 0.00 1.00 0.00 0.00 33.01 31.50 3bb6 s GLN 111 CO 0.31 -0.40 0.93 1.03 -2.12 0.00 0.00 175.29 175.05 3bb6 s ARG 112 N -4.72 3.83 0.00 2.91 0.52 -1.26 -5.15 118.95 115.08 3bb6 s ARG 112 Ca 0.50 0.57 0.02 0.00 -0.52 0.00 0.00 55.73 56.29 3bb6 s ARG 112 Cb -0.10 -3.81 0.10 0.00 0.52 0.00 0.00 34.95 31.66 3bb6 s ARG 112 CO 0.41 -0.97 0.59 1.17 0.02 0.00 0.00 175.30 176.52