#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 1.43 -0.16 3.23 -0.21 -1.26 -4.50 119.66 118.20 3bb6 s GLN 3 Ca 0.00 -0.54 -0.24 0.00 0.02 0.00 0.00 55.36 54.60 3bb6 s GLN 3 Cb 0.00 -1.31 -0.02 0.00 1.00 0.00 0.00 33.01 32.68 3bb6 s GLN 3 CO 0.00 0.26 0.77 0.42 -2.12 0.00 0.00 175.29 174.63 3bb6 s ILE 4 N -0.11 4.93 0.36 1.08 1.01 -1.26 -5.00 121.20 122.21 3bb6 s ILE 4 Ca 0.01 1.52 -0.27 0.00 0.00 0.00 0.00 60.65 61.91 3bb6 s ILE 4 Cb -0.09 -4.09 -0.12 0.00 0.01 0.00 0.00 42.46 38.18 3bb6 s ILE 4 CO 0.01 0.07 1.15 -2.65 0.00 0.00 0.00 174.94 173.52 3bb6 n PRO 5 N 5.00 1.72 0.31 2.79 -0.02 -1.26 -4.86 135.00 138.68 3bb6 n PRO 5 Ca 0.03 0.61 0.17 0.00 -2.02 0.00 0.00 63.50 62.28 3bb6 n PRO 5 Cb 0.49 -2.15 0.90 0.00 -0.02 0.00 0.00 33.50 32.72 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 2.10 0.00 -0.06 -0.52 4.15 -2.04 -1.49 115.11 117.25 3bb6 h GLN 6 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 3bb6 h GLN 6 Cb 1.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.00 3bb6 h GLN 6 CO 0.60 0.00 0.00 0.27 -1.93 0.00 0.00 178.83 177.77 3bb6 n ASN 7 N -2.84 2.03 -4.76 -0.69 2.04 -1.26 -4.96 115.26 104.82 3bb6 n ASN 7 Ca -0.02 -1.69 -0.31 0.00 -0.44 0.00 0.00 54.58 52.12 3bb6 n ASN 7 Cb 0.26 -0.03 0.10 0.00 -2.53 0.00 0.00 39.78 37.58 3bb6 n ASN 7 CO 0.00 0.00 0.00 -0.31 -0.44 0.00 0.00 177.26 176.51 3bb6 s TYR 8 N -1.95 2.58 -0.09 -2.53 1.51 -0.56 -4.53 117.35 111.77 3bb6 s TYR 8 Ca 0.35 1.51 0.03 0.00 -1.01 0.00 0.00 57.07 57.95 3bb6 s TYR 8 Cb 0.20 -3.05 -0.01 0.00 -0.11 0.00 0.00 41.96 38.99 3bb6 s TYR 8 CO 0.32 -1.84 -0.20 0.42 -1.11 0.00 0.00 175.55 173.13 3bb6 s ILE 9 N -2.92 2.43 -0.03 2.71 1.01 0.23 -4.89 121.20 119.73 3bb6 s ILE 9 Ca 0.61 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 3bb6 s ILE 9 Cb -0.17 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 3bb6 s ILE 9 CO 0.56 0.55 1.51 -2.28 0.00 0.00 0.00 174.94 175.29 3bb6 s HIS 10 N 0.13 2.48 -0.09 3.97 5.65 -1.26 -1.05 115.29 125.12 3bb6 s HIS 10 Ca -0.10 0.54 0.04 0.00 0.25 0.00 0.00 55.06 55.79 3bb6 s HIS 10 Cb -0.16 -3.78 -0.09 0.00 -1.18 0.00 0.00 32.58 27.37 3bb6 s HIS 10 CO 0.06 -3.08 -0.03 0.25 -0.65 0.00 0.00 174.74 171.30 3bb6 n THR 11 N 5.03 0.59 -3.78 0.89 -2.24 -0.53 -4.96 114.28 109.29 3bb6 n THR 11 Ca 0.15 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 3bb6 n THR 11 Cb 0.43 -0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 67.75 3bb6 n THR 11 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3bb6 s ARG 12 N -2.21 0.66 -0.04 -0.78 3.52 -1.23 -5.01 118.95 113.87 3bb6 s ARG 12 Ca -0.09 -0.27 -0.01 0.00 -0.13 0.00 0.00 55.73 55.23 3bb6 s ARG 12 Cb 0.03 0.29 0.03 0.00 -1.56 0.00 0.00 34.95 33.74 3bb6 s ARG 12 CO 0.30 -0.18 0.04 0.45 -0.81 0.00 0.00 175.30 175.09 3bb6 s SER 13 N -1.44 1.01 0.38 -2.12 0.15 -1.26 -0.69 113.70 109.73 3bb6 s SER 13 Ca -0.13 0.03 -0.14 0.00 0.70 0.00 0.00 55.95 56.42 3bb6 s SER 13 Cb -0.05 -0.20 -0.08 0.00 -1.71 0.00 0.00 66.02 63.99 3bb6 s SER 13 CO 0.03 -0.21 0.79 0.42 1.20 0.00 0.00 173.24 175.47 3bb6 s THR 14 N 1.86 4.69 1.05 6.45 -4.23 -0.27 -5.01 115.64 120.19 3bb6 s THR 14 Ca 0.02 0.88 -0.15 0.00 -1.18 0.00 0.00 61.69 61.26 3bb6 s THR 14 Cb -0.12 -3.67 0.22 0.00 1.34 0.00 0.00 72.50 70.26 3bb6 s THR 14 CO -0.03 -0.38 1.11 -2.16 -0.54 0.00 0.00 174.62 172.62 3bb6 s PRO 15 N -3.45 -0.03 0.17 3.99 0.04 -1.26 -4.28 135.00 130.18 3bb6 s PRO 15 Ca 0.54 0.25 -0.31 0.00 0.04 0.00 0.00 61.00 61.52 3bb6 s PRO 15 Cb -0.10 -1.71 -0.10 0.00 0.04 0.00 0.00 34.50 32.64 3bb6 s PRO 15 CO 0.24 -2.98 1.50 -0.06 0.04 0.00 0.00 177.00 175.74 3bb6 s PHE 16 N -3.06 3.10 0.12 0.56 0.08 -1.26 -4.62 117.98 112.90 3bb6 s PHE 16 Ca 0.67 0.79 0.09 0.00 0.12 0.00 0.00 56.93 58.60 3bb6 s PHE 16 Cb -0.15 -3.84 -0.04 0.00 -0.57 0.00 0.00 43.02 38.42 3bb6 s PHE 16 CO 0.56 -3.01 -0.22 -1.58 -0.10 0.00 0.00 175.22 170.88 3bb6 s TRP 17 N 0.89 1.90 0.08 0.36 0.51 0.13 -4.89 118.94 117.92 3bb6 s TRP 17 Ca 0.66 -0.42 0.00 0.00 -2.12 0.00 0.00 56.10 54.23 3bb6 s TRP 17 Cb -0.42 -1.02 -0.00 0.00 -0.81 0.00 0.00 33.47 31.22 3bb6 s TRP 17 CO 0.33 0.26 0.01 0.27 -0.51 0.00 0.00 176.95 177.32 3bb6 n ASN 18 N 0.90 1.61 0.17 2.95 0.23 -1.26 -1.30 115.26 118.56 3bb6 n ASN 18 Ca -0.18 -1.38 0.13 0.00 -0.53 0.00 0.00 54.58 52.63 3bb6 n ASN 18 Cb 0.54 0.12 0.69 0.00 -2.08 0.00 0.00 39.78 39.05 3bb6 n ASN 18 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3bb6 h LYS 19 N 0.00 0.00 0.05 -3.83 3.64 -1.81 -2.35 116.57 112.28 3bb6 h LYS 19 Ca -0.06 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 58.94 3bb6 h LYS 19 Cb 0.21 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 3bb6 h LYS 19 CO 0.10 0.00 -2.26 1.04 -2.27 0.00 0.00 179.45 176.06 3bb6 n GLN 20 N -4.38 0.70 0.16 1.90 1.13 -1.26 -4.54 117.38 111.09 3bb6 n GLN 20 Ca 0.02 0.20 0.12 0.00 -1.94 0.00 0.00 57.00 55.40 3bb6 n GLN 20 Cb 0.28 -1.60 0.23 0.00 0.11 0.00 0.00 30.24 29.26 3bb6 n GLN 20 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 3bb6 h THR 21 N 0.03 0.00 -4.06 5.09 1.35 -1.92 -3.46 112.91 109.93 3bb6 h THR 21 Ca -0.51 -0.79 -0.49 0.00 -0.55 0.00 0.00 66.41 64.07 3bb6 h THR 21 Cb 1.97 1.71 0.05 0.00 -1.73 0.00 0.00 68.15 70.15 3bb6 h THR 21 CO -0.01 0.00 0.42 0.00 -0.25 0.00 0.00 175.52 175.68 3bb6 s ALA 22 N -3.19 2.82 0.15 6.62 0.00 -0.89 -4.81 121.76 122.47 3bb6 s ALA 22 Ca 0.07 0.75 -0.31 0.00 0.00 0.00 0.00 51.96 52.47 3bb6 s ALA 22 Cb 0.08 -3.32 -0.11 0.00 0.00 0.00 0.00 23.12 19.78 3bb6 s ALA 22 CO 0.66 -0.54 1.75 -1.25 0.00 0.00 0.00 175.76 176.38 3bb6 s PRO 23 N -3.14 4.15 0.43 0.00 0.04 -1.26 -4.84 135.00 130.37 3bb6 s PRO 23 Ca 0.69 2.54 0.24 0.00 0.04 0.00 0.00 61.00 64.51 3bb6 s PRO 23 Cb -0.21 -3.37 1.26 0.00 0.04 0.00 0.00 34.50 32.21 3bb6 s PRO 23 CO 0.25 -0.77 1.73 0.00 0.04 0.00 0.00 177.00 178.24 3bb6 h ALA 24 N 7.77 2.50 0.00 8.56 0.00 -1.92 -1.38 119.26 134.79 3bb6 h ALA 24 Ca -0.44 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3bb6 h ALA 24 Cb 1.21 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3bb6 h ALA 24 CO 0.95 -0.97 -0.00 0.78 0.00 0.00 0.00 179.25 180.00 3bb6 h GLY 25 N 0.25 0.00 2.00 0.00 0.00 -1.93 -2.64 103.07 100.75 3bb6 h GLY 25 Ca 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.97 3bb6 h GLY 25 CO -0.30 0.00 -0.11 1.19 0.00 0.00 0.00 176.54 177.32 3bb6 h ILE 26 N 0.00 0.24 0.00 2.60 2.10 -1.62 -3.03 117.51 117.80 3bb6 h ILE 26 Ca -0.00 -0.93 0.00 0.00 1.08 0.00 0.00 64.86 65.01 3bb6 h ILE 26 Cb 0.07 1.76 0.00 0.00 -1.09 0.00 0.00 36.82 37.56 3bb6 h ILE 26 CO 0.00 0.11 -0.17 0.49 -1.08 0.00 0.00 178.15 177.50 3bb6 n PHE 27 N -3.20 0.47 -4.15 2.19 3.72 -0.99 -2.25 117.46 113.24 3bb6 n PHE 27 Ca 0.01 0.14 -0.29 0.00 -0.05 0.00 0.00 57.45 57.26 3bb6 n PHE 27 Cb 0.42 -0.68 -0.08 0.00 -0.94 0.00 0.00 39.48 38.21 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 -3.07 2.50 0.00 -1.08 8.01 -1.15 -4.53 118.70 119.38 3bb6 s GLU 28 Ca 0.11 -0.92 -0.35 0.00 0.01 0.00 0.00 54.97 53.82 3bb6 s GLU 28 Cb 0.15 -2.48 -0.13 0.00 -4.31 0.00 0.00 34.13 27.36 3bb6 s GLU 28 CO 0.61 0.51 1.71 -2.13 0.01 0.00 0.00 175.26 175.97 3bb6 n ARG 29 N 0.36 1.99 -3.93 1.61 0.63 -1.26 -4.60 116.66 111.47 3bb6 n ARG 29 Ca -0.11 0.72 -0.13 0.00 -0.92 0.00 0.00 57.85 57.42 3bb6 n ARG 29 Cb 0.53 -2.51 -0.02 0.00 0.45 0.00 0.00 32.46 30.91 3bb6 n ARG 29 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 3bb6 n HIS 30 N 4.99 -1.70 -3.88 -0.14 1.44 0.26 -4.90 115.22 111.27 3bb6 n HIS 30 Ca 0.20 -2.23 -0.29 0.00 -2.01 0.00 0.00 57.72 53.40 3bb6 n HIS 30 Cb 0.27 0.65 -0.16 0.00 0.12 0.00 0.00 29.99 30.87 3bb6 n HIS 30 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 3bb6 s LEU 31 N 0.00 1.86 0.26 2.39 2.96 -1.26 -1.73 118.68 123.15 3bb6 s LEU 31 Ca 0.26 -0.85 -0.28 0.00 -0.22 0.00 0.00 54.13 53.04 3bb6 s LEU 31 Cb -0.02 -0.95 -0.15 0.00 0.50 0.00 0.00 46.19 45.57 3bb6 s LEU 31 CO 0.18 -0.22 0.80 0.47 -1.32 0.00 0.00 176.35 176.27 3bb6 n ASP 32 N 4.83 0.21 -4.71 3.68 8.00 -1.26 -4.83 116.55 122.47 3bb6 n ASP 32 Ca -0.12 1.15 -0.42 0.00 0.71 0.00 0.00 54.79 56.11 3bb6 n ASP 32 Cb 0.46 -1.15 -0.03 0.00 -0.02 0.00 0.00 41.12 40.38 3bb6 n ASP 32 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3bb6 n LYS 33 N 0.82 2.75 -1.08 -1.24 4.76 -1.26 -2.02 118.16 120.89 3bb6 n LYS 33 Ca 0.13 0.99 -0.03 0.00 -2.87 0.00 0.00 58.31 56.53 3bb6 n LYS 33 Cb 0.30 -2.84 -0.01 0.00 -1.84 0.00 0.00 35.03 30.64 3bb6 n LYS 33 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bb6 n GLY 34 N 3.97 0.51 3.73 0.72 0.00 -1.26 -4.97 105.19 107.89 3bb6 n GLY 34 Ca 0.16 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3bb6 n GLY 34 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3bb6 s THR 35 N -1.77 2.61 0.10 2.61 -1.32 -0.85 -4.97 115.64 112.04 3bb6 s THR 35 Ca 0.00 0.48 -0.26 0.00 -1.21 0.00 0.00 61.69 60.70 3bb6 s THR 35 Cb 0.00 -3.31 0.08 0.00 -1.51 0.00 0.00 72.50 67.77 3bb6 s THR 35 CO 0.00 0.06 1.09 0.00 -2.21 0.00 0.00 174.62 173.56 3bb6 s ARG 36 N 0.20 0.95 0.38 7.08 1.04 -1.26 -4.62 118.95 122.72 3bb6 s ARG 36 Ca 0.64 -0.55 -0.25 0.00 -1.04 0.00 0.00 55.73 54.52 3bb6 s ARG 36 Cb -0.43 0.30 -0.12 0.00 -2.04 0.00 0.00 34.95 32.67 3bb6 s ARG 36 CO 0.39 -0.44 1.01 -2.30 -0.04 0.00 0.00 175.30 173.93 3bb6 n PRO 37 N -0.55 1.39 -0.57 3.89 -0.02 -1.26 -2.38 135.00 135.49 3bb6 n PRO 37 Ca -0.06 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3bb6 n PRO 37 Cb 0.61 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 3bb6 n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bb6 n GLY 38 N 1.18 0.74 2.92 -1.23 0.00 -1.26 -4.97 105.19 102.58 3bb6 n GLY 38 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.48 1.38 -0.16 1.61 1.01 -1.00 -0.96 120.40 119.80 3bb6 s VAL 39 Ca 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.99 3bb6 s VAL 39 Cb 0.00 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.78 3bb6 s VAL 39 CO 0.00 -0.01 -0.21 -0.31 0.00 0.00 0.00 175.10 174.57 3bb6 s TYR 40 N 1.48 2.72 0.26 5.22 1.51 0.39 -4.45 117.35 124.48 3bb6 s TYR 40 Ca -0.03 -1.44 -0.09 0.00 -1.01 0.00 0.00 57.07 54.49 3bb6 s TYR 40 Cb -0.17 -1.87 -0.07 0.00 -0.11 0.00 0.00 41.96 39.74 3bb6 s TYR 40 CO -0.07 -0.68 0.58 -1.25 -1.11 0.00 0.00 175.55 173.02 3bb6 s PRO 41 N 1.02 3.78 -0.17 -1.71 0.04 -1.26 -0.74 135.00 135.95 3bb6 s PRO 41 Ca -0.02 0.27 -0.00 0.00 0.04 0.00 0.00 61.00 61.29 3bb6 s PRO 41 Cb -0.14 -2.61 0.04 0.00 0.04 0.00 0.00 34.50 31.83 3bb6 s PRO 41 CO -0.06 0.26 -0.06 0.50 0.04 0.00 0.00 177.00 177.68 3bb6 s ARG 42 N -3.03 1.53 -0.26 4.56 3.52 0.14 -2.32 118.95 123.08 3bb6 s ARG 42 Ca 0.48 -0.58 -0.09 0.00 -0.13 0.00 0.00 55.73 55.40 3bb6 s ARG 42 Cb -0.11 -2.09 -0.04 0.00 -1.56 0.00 0.00 34.95 31.15 3bb6 s ARG 42 CO 0.23 -0.44 0.12 -1.17 -0.81 0.00 0.00 175.30 173.24 3bb6 s LEU 43 N 1.59 3.74 -0.04 -0.88 0.20 -0.68 -0.90 118.68 121.71 3bb6 s LEU 43 Ca 0.00 -0.09 0.07 0.00 0.69 0.00 0.00 54.13 54.80 3bb6 s LEU 43 Cb -0.16 -2.02 -0.02 0.00 -0.43 0.00 0.00 46.19 43.57 3bb6 s LEU 43 CO -0.08 -0.02 -0.24 -0.94 -0.29 0.00 0.00 176.35 174.78 3bb6 s SER 44 N 1.58 3.18 0.57 3.68 1.04 -0.95 -1.25 113.70 121.55 3bb6 s SER 44 Ca 0.06 -0.45 0.08 0.00 0.48 0.00 0.00 55.95 56.12 3bb6 s SER 44 Cb -0.15 -0.56 0.08 0.00 0.10 0.00 0.00 66.02 65.49 3bb6 s SER 44 CO 0.07 0.30 0.79 -0.69 0.98 0.00 0.00 173.24 174.68 3bb6 s VAL 45 N -0.48 2.28 0.48 5.02 1.01 0.05 -2.81 120.40 125.94 3bb6 s VAL 45 Ca 0.06 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 3bb6 s VAL 45 Cb -0.11 -2.33 -0.07 0.00 0.00 0.00 0.00 36.38 33.86 3bb6 s VAL 45 CO 0.01 0.00 1.39 -2.28 0.00 0.00 0.00 175.10 174.22 3bb6 s HIS 47 N -2.68 2.43 0.00 5.22 5.65 -1.18 -0.27 115.29 124.46 3bb6 s HIS 47 Ca 0.61 1.31 0.00 0.00 0.25 0.00 0.00 55.06 57.23 3bb6 s HIS 47 Cb -0.06 -3.86 0.00 0.00 -1.18 0.00 0.00 32.58 27.47 3bb6 s HIS 47 CO 0.39 -2.86 0.00 0.41 -0.65 0.00 0.00 174.74 172.03 3bb6 n GLY 48 N 0.63 0.42 3.57 1.59 0.00 -1.26 -2.58 105.19 107.56 3bb6 n GLY 48 Ca 0.07 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.00 -1.89 0.04 4.61 0.00 -1.26 -2.08 121.76 119.18 3bb6 s ALA 49 Ca 0.00 1.58 0.06 0.00 0.00 0.00 0.00 51.96 53.60 3bb6 s ALA 49 Cb 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 3bb6 s ALA 49 CO 0.00 -0.32 -0.16 0.08 0.00 0.00 0.00 175.76 175.36 3bb6 s VAL 50 N -0.86 1.29 -0.11 0.00 1.01 0.23 -4.42 120.40 117.54 3bb6 s VAL 50 Ca -0.03 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 60.93 3bb6 s VAL 50 Cb -0.01 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.22 3bb6 s VAL 50 CO 0.03 0.08 -0.22 -0.75 0.00 0.00 0.00 175.10 174.24 3bb6 s LYS 51 N -1.12 3.09 -0.04 2.72 2.20 -0.52 0.25 119.74 126.32 3bb6 s LYS 51 Ca 0.04 -0.85 -0.04 0.00 -0.36 0.00 0.00 55.97 54.76 3bb6 s LYS 51 Cb -0.08 -2.38 -0.04 0.00 -1.51 0.00 0.00 37.83 33.82 3bb6 s LYS 51 CO 0.01 0.13 0.17 -0.47 -0.36 0.00 0.00 175.35 174.84 3bb6 s TYR 52 N 0.47 3.57 -0.08 4.03 6.14 -0.57 -1.25 117.35 129.67 3bb6 s TYR 52 Ca -0.15 0.42 -0.01 0.00 0.64 0.00 0.00 57.07 57.97 3bb6 s TYR 52 Cb -0.17 -1.87 0.03 0.00 0.42 0.00 0.00 41.96 40.37 3bb6 s TYR 52 CO 0.06 0.67 -0.02 -0.51 0.64 0.00 0.00 175.55 176.39 3bb6 s LEU 53 N -1.66 0.78 0.08 6.97 1.43 -0.81 -2.42 118.68 123.04 3bb6 s LEU 53 Ca 0.24 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 3bb6 s LEU 53 Cb -0.12 -0.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 3bb6 s LEU 53 CO 0.14 -0.17 0.02 -0.83 0.23 0.00 0.00 176.35 175.74 3bb6 s GLY 54 N 1.84 1.94 0.06 -3.19 0.00 0.04 -2.30 107.32 105.71 3bb6 s GLY 54 Ca 0.04 -1.08 0.06 0.00 0.00 0.00 0.00 44.72 43.74 3bb6 s GLY 54 CO -0.06 -1.06 -0.17 -0.19 0.00 0.00 0.00 173.10 171.63 3bb6 s TYR 55 N -1.31 1.48 0.27 1.90 1.51 -0.19 -0.96 117.35 120.05 3bb6 s TYR 55 Ca 0.26 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.92 3bb6 s TYR 55 Cb -0.12 -0.86 0.45 0.00 -0.11 0.00 0.00 41.96 41.32 3bb6 s TYR 55 CO 0.19 0.09 1.87 0.00 -1.11 0.00 0.00 175.55 176.58 3bb6 h ALA 56 N 4.65 1.43 -2.44 3.71 0.00 -1.87 -3.37 119.26 121.36 3bb6 h ALA 56 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3bb6 h ALA 56 Cb 1.18 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3bb6 h ALA 56 CO 0.42 0.38 0.00 -0.40 0.00 0.00 0.00 179.25 179.66 3bb6 n ASP 57 N -4.54 0.00 -0.05 0.00 5.68 -1.26 -4.89 116.55 111.49 3bb6 n ASP 57 Ca 0.16 -0.99 -0.04 0.00 -0.50 0.00 0.00 54.79 53.43 3bb6 n ASP 57 Cb 0.23 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.39 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 0.65 -0.34 0.11 4.81 -1.96 -3.29 114.58 114.56 3bb6 h GLU 58 Ca 0.00 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3bb6 h GLU 58 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3bb6 h GLU 58 CO 0.00 0.75 0.00 0.72 -0.73 0.00 0.00 179.01 179.75 3bb6 n HIS 59 N -4.17 0.55 -1.70 0.92 8.25 -1.26 -5.03 115.22 112.79 3bb6 n HIS 59 Ca 0.01 -0.56 -0.43 0.00 -0.26 0.00 0.00 57.72 56.48 3bb6 n HIS 59 Cb 0.35 -0.07 -0.02 0.00 1.12 0.00 0.00 29.99 31.37 3bb6 n HIS 59 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3bb6 n SER 60 N 0.37 3.00 -0.19 0.41 7.64 -1.24 -4.89 113.62 118.71 3bb6 n SER 60 Ca 0.13 1.17 -0.10 0.00 1.01 0.00 0.00 58.87 61.08 3bb6 n SER 60 Cb 0.51 -1.49 0.01 0.00 -1.01 0.00 0.00 64.21 62.23 3bb6 n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bb6 h ALA 61 N 3.68 0.74 -3.64 -0.43 0.00 -1.95 -3.45 119.26 114.21 3bb6 h ALA 61 Ca -0.46 -0.32 -0.63 0.00 0.00 0.00 0.00 54.91 53.50 3bb6 h ALA 61 Cb 1.27 -0.20 -0.21 0.00 0.00 0.00 0.00 17.79 18.65 3bb6 h ALA 61 CO 0.71 0.60 -0.84 -1.21 0.00 0.00 0.00 179.25 178.51 3bb6 s GLU 62 N -4.94 1.32 0.49 0.00 0.41 -1.26 -5.13 118.70 109.59 3bb6 s GLU 62 Ca -0.12 -1.32 -0.19 0.00 -0.41 0.00 0.00 54.97 52.93 3bb6 s GLU 62 Cb 0.13 -1.68 -0.08 0.00 -1.78 0.00 0.00 34.13 30.71 3bb6 s GLU 62 CO 0.85 0.39 1.00 -1.25 -0.49 0.00 0.00 175.26 175.75 3bb6 s PRO 63 N -2.17 3.90 -0.10 0.39 0.04 -1.26 -4.69 135.00 131.10 3bb6 s PRO 63 Ca 0.13 1.14 0.14 0.00 0.04 0.00 0.00 61.00 62.45 3bb6 s PRO 63 Cb -0.09 -2.12 0.37 0.00 0.04 0.00 0.00 34.50 32.69 3bb6 s PRO 63 CO 0.06 -0.32 1.28 -0.40 0.04 0.00 0.00 177.00 177.66 3bb6 n ASP 64 N -1.22 3.14 -3.64 6.66 5.75 -0.14 -4.95 116.55 122.15 3bb6 n ASP 64 Ca 0.08 -2.66 -0.06 0.00 -0.01 0.00 0.00 54.79 52.14 3bb6 n ASP 64 Cb 0.53 -0.38 -0.06 0.00 -1.03 0.00 0.00 41.12 40.18 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 -2.17 0.66 -0.04 0.11 0.74 -1.20 -4.97 119.66 112.80 3bb6 s GLN 65 Ca 0.31 1.26 -0.00 0.00 0.05 0.00 0.00 55.36 56.98 3bb6 s GLN 65 Cb 0.24 0.30 0.03 0.00 1.10 0.00 0.00 33.01 34.68 3bb6 s GLN 65 CO 0.08 -0.16 -0.00 0.08 -0.55 0.00 0.00 175.29 174.74 3bb6 s VAL 66 N 1.93 0.25 -0.15 1.34 1.01 -1.26 -0.78 120.40 122.74 3bb6 s VAL 66 Ca -0.09 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 3bb6 s VAL 66 Cb -0.07 -0.36 0.04 0.00 0.00 0.00 0.00 36.38 35.99 3bb6 s VAL 66 CO -0.19 0.19 -0.04 -0.63 0.00 0.00 0.00 175.10 174.42 3bb6 s ILE 67 N 1.33 0.96 -0.26 2.22 1.01 -1.02 -5.00 121.20 120.44 3bb6 s ILE 67 Ca -0.05 -0.49 -0.16 0.00 0.00 0.00 0.00 60.65 59.95 3bb6 s ILE 67 Cb -0.13 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 3bb6 s ILE 67 CO -0.02 0.14 0.42 -0.22 0.00 0.00 0.00 174.94 175.26 3bb6 s LEU 68 N 1.70 4.05 -0.35 2.97 2.96 -1.26 -1.51 118.68 127.25 3bb6 s LEU 68 Ca 0.02 0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 54.23 3bb6 s LEU 68 Cb -0.15 -2.51 0.03 0.00 0.50 0.00 0.00 46.19 44.07 3bb6 s LEU 68 CO -0.07 -0.21 0.13 -0.63 -1.32 0.00 0.00 176.35 174.25 3bb6 s ILE 69 N 2.08 4.04 0.62 6.68 1.01 0.14 -4.98 121.20 130.79 3bb6 s ILE 69 Ca 0.17 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 3bb6 s ILE 69 Cb -0.16 -3.26 0.01 0.00 0.01 0.00 0.00 42.46 39.07 3bb6 s ILE 69 CO 0.09 -0.17 0.95 -1.61 0.00 0.00 0.00 174.94 174.20 3bb6 s GLU 70 N 1.46 2.87 0.33 2.79 0.41 -1.26 -0.60 118.70 124.69 3bb6 s GLU 70 Ca -0.00 0.08 -0.29 0.00 -0.41 0.00 0.00 54.97 54.35 3bb6 s GLU 70 Cb -0.19 -2.21 -0.12 0.00 -1.78 0.00 0.00 34.13 29.83 3bb6 s GLU 70 CO 0.04 -0.80 1.43 0.00 -0.49 0.00 0.00 175.26 175.44 3bb6 n ALA 71 N -2.69 1.86 -0.66 5.21 0.00 -0.88 -1.72 120.51 121.63 3bb6 n ALA 71 Ca 0.05 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3bb6 n ALA 71 Cb 0.58 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 1.11 0.68 3.37 0.00 0.00 0.63 -4.99 105.19 105.99 3bb6 n GLY 72 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.34 1.45 0.10 1.61 -0.21 -0.70 -5.00 119.66 116.56 3bb6 s GLN 73 Ca 0.00 -1.77 -0.09 0.00 0.02 0.00 0.00 55.36 53.53 3bb6 s GLN 73 Cb 0.00 -0.66 -0.00 0.00 1.00 0.00 0.00 33.01 33.35 3bb6 s GLN 73 CO 0.00 -0.15 0.20 -0.59 -2.12 0.00 0.00 175.29 172.63 3bb6 s PHE 74 N -3.42 0.19 -0.05 0.91 -0.12 -1.26 -0.77 117.98 113.45 3bb6 s PHE 74 Ca 0.32 -0.61 -0.04 0.00 -0.05 0.00 0.00 56.93 56.55 3bb6 s PHE 74 Cb 0.07 -0.06 0.02 0.00 -0.63 0.00 0.00 43.02 42.42 3bb6 s PHE 74 CO 0.12 -0.57 0.14 0.00 -0.05 0.00 0.00 175.22 174.86 3bb6 s ALA 75 N -3.88 -0.32 -0.11 1.99 0.00 -0.38 -4.98 121.76 114.08 3bb6 s ALA 75 Ca 0.07 0.45 -0.13 0.00 0.00 0.00 0.00 51.96 52.35 3bb6 s ALA 75 Cb 0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 3bb6 s ALA 75 CO -0.09 -0.08 0.31 0.08 0.00 0.00 0.00 175.76 175.97 3bb6 s VAL 76 N 0.31 5.26 0.05 0.00 1.01 -1.26 -1.68 120.40 124.08 3bb6 s VAL 76 Ca -0.02 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.55 3bb6 s VAL 76 Cb -0.03 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3bb6 s VAL 76 CO -0.01 0.47 0.16 -0.36 0.00 0.00 0.00 175.10 175.36 3bb6 s PHE 77 N -0.16 3.42 0.43 5.22 0.08 -0.98 -4.51 117.98 121.48 3bb6 s PHE 77 Ca 0.18 0.22 -0.24 0.00 0.12 0.00 0.00 56.93 57.22 3bb6 s PHE 77 Cb -0.14 -1.73 -0.08 0.00 -0.57 0.00 0.00 43.02 40.50 3bb6 s PHE 77 CO 0.07 0.58 1.15 -1.25 -0.10 0.00 0.00 175.22 175.67 3bb6 s PRO 78 N -2.33 3.90 0.72 0.24 0.04 -1.26 -4.24 135.00 132.07 3bb6 s PRO 78 Ca 0.31 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 3bb6 s PRO 78 Cb -0.13 -2.50 0.02 0.00 0.04 0.00 0.00 34.50 31.93 3bb6 s PRO 78 CO 0.24 -0.43 1.07 -2.14 0.04 0.00 0.00 177.00 175.77 3bb6 s PRO 79 N -2.55 2.76 -1.59 0.56 0.02 -1.26 -4.13 135.00 128.81 3bb6 s PRO 79 Ca 0.61 0.91 -0.14 0.00 0.02 0.00 0.00 61.00 62.40 3bb6 s PRO 79 Cb -0.28 -1.97 0.11 0.00 0.02 0.00 0.00 34.50 32.37 3bb6 s PRO 79 CO 0.35 -1.21 0.83 0.39 -0.33 0.00 0.00 177.00 177.03 3bb6 n GLU 80 N -3.20 -4.26 -4.40 5.54 1.02 -1.26 -4.95 120.64 109.14 3bb6 n GLU 80 Ca 0.07 0.48 -0.22 0.00 -0.02 0.00 0.00 57.16 57.48 3bb6 n GLU 80 Cb 0.54 -5.21 -0.16 0.00 -0.02 0.00 0.00 31.44 26.58 3bb6 n GLU 80 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3bb6 s LYS 81 N -6.72 1.21 0.21 3.49 2.20 -1.26 -5.09 119.74 113.79 3bb6 s LYS 81 Ca 0.61 -0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.63 3bb6 s LYS 81 Cb -0.32 -1.08 -0.09 0.00 -1.51 0.00 0.00 37.83 34.83 3bb6 s LYS 81 CO 0.88 0.02 1.41 -1.58 -0.36 0.00 0.00 175.35 175.71 3bb6 s TRP 82 N 0.61 3.12 0.32 4.03 0.52 -1.26 -4.73 118.94 121.55 3bb6 s TRP 82 Ca -0.11 1.04 -0.18 0.00 0.02 0.00 0.00 56.10 56.88 3bb6 s TRP 82 Cb -0.13 -3.75 0.06 0.00 -1.15 0.00 0.00 33.47 28.49 3bb6 s TRP 82 CO 0.02 -2.47 0.86 -3.38 0.02 0.00 0.00 176.95 171.99 3bb6 s HIS 83 N 0.24 0.09 0.14 -1.98 -3.43 -0.71 -1.02 115.29 108.62 3bb6 s HIS 83 Ca 0.60 -0.68 -0.24 0.00 -0.80 0.00 0.00 55.06 53.95 3bb6 s HIS 83 Cb -0.40 0.80 0.07 0.00 -1.43 0.00 0.00 32.58 31.62 3bb6 s HIS 83 CO 0.39 -1.37 0.60 0.54 -2.00 0.00 0.00 174.74 172.90 3bb6 s ASN 84 N -3.15 -0.57 0.33 7.38 2.20 -0.97 -0.58 114.94 119.58 3bb6 s ASN 84 Ca 0.17 0.07 0.10 0.00 -0.94 0.00 0.00 52.86 52.26 3bb6 s ASN 84 Cb -0.04 0.59 -0.06 0.00 -2.00 0.00 0.00 41.25 39.73 3bb6 s ASN 84 CO 0.09 -0.93 -0.11 0.27 -2.94 0.00 0.00 177.10 173.49 3bb6 s ILE 85 N -3.47 2.30 -0.06 0.54 -4.36 -0.96 -1.93 121.20 113.26 3bb6 s ILE 85 Ca -0.00 -2.23 -0.02 0.00 -0.26 0.00 0.00 60.65 58.13 3bb6 s ILE 85 Cb -0.01 -2.60 0.04 0.00 1.25 0.00 0.00 42.46 41.14 3bb6 s ILE 85 CO -0.10 -0.24 0.11 -0.70 0.24 0.00 0.00 174.94 174.25 3bb6 s GLU 86 N -3.60 -0.00 0.00 0.37 2.12 -0.38 -4.40 118.70 112.81 3bb6 s GLU 86 Ca 0.32 0.42 0.00 0.00 0.36 0.00 0.00 54.97 56.07 3bb6 s GLU 86 Cb 0.01 -0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.07 3bb6 s GLU 86 CO 0.16 -0.27 0.00 0.00 -0.54 0.00 0.00 175.26 174.61 3bb6 n ALA 87 N 4.96 0.00 -0.92 6.30 0.00 -1.26 -1.43 120.51 128.15 3bb6 n ALA 87 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.98 3bb6 n ALA 87 Cb 0.50 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.71 0.00 -0.10 0.00 -2.24 -1.26 -5.01 114.28 103.96 3bb6 n THR 89 Ca 0.00 -0.23 -0.10 0.00 -2.27 0.00 0.00 64.05 61.45 3bb6 n THR 89 Cb 0.00 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.92 0.88 -0.05 3.42 3.32 -2.01 -2.82 116.42 118.23 3bb6 h ASP 90 Ca -0.38 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.31 3bb6 h ASP 90 Cb 1.25 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3bb6 h ASP 90 CO 0.20 1.11 0.00 -0.90 -1.72 0.00 0.00 179.24 177.93 3bb6 n ASP 91 N -4.08 0.73 -4.77 6.45 5.68 -1.26 -4.57 116.55 114.73 3bb6 n ASP 91 Ca -0.01 -2.03 -0.40 0.00 -0.50 0.00 0.00 54.79 51.86 3bb6 n ASP 91 Cb 0.49 -0.24 -0.06 0.00 -1.14 0.00 0.00 41.12 40.17 3bb6 n ASP 91 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3bb6 s THR 92 N -1.59 4.49 0.00 2.12 2.01 -1.07 -4.62 115.64 116.98 3bb6 s THR 92 Ca 0.04 1.67 -0.06 0.00 0.31 0.00 0.00 61.69 63.65 3bb6 s THR 92 Cb 0.02 -4.13 -0.00 0.00 0.01 0.00 0.00 72.50 68.41 3bb6 s THR 92 CO 0.02 0.48 0.12 -0.72 -0.69 0.00 0.00 174.62 173.82 3bb6 s TYR 93 N -0.82 0.06 0.16 4.92 1.13 -1.06 -4.25 117.35 117.48 3bb6 s TYR 93 Ca 0.36 -0.15 -0.04 0.00 -1.41 0.00 0.00 57.07 55.83 3bb6 s TYR 93 Cb -0.22 -0.06 0.02 0.00 -1.10 0.00 0.00 41.96 40.60 3bb6 s TYR 93 CO 0.25 -0.26 0.28 1.97 -2.51 0.00 0.00 175.55 175.28 3bb6 n PHE 94 N 1.56 -1.31 -3.69 -3.49 -1.74 -0.42 -3.08 117.46 105.30 3bb6 n PHE 94 Ca -0.22 -0.87 -0.10 0.00 -0.56 0.00 0.00 57.45 55.71 3bb6 n PHE 94 Cb 0.56 0.33 -0.03 0.00 1.52 0.00 0.00 39.48 41.86 3bb6 n PHE 94 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3bb6 s ASN 95 N -1.89 -0.33 0.03 5.98 4.22 -1.12 0.22 114.94 122.04 3bb6 s ASN 95 Ca 0.09 -0.40 0.06 0.00 -2.14 0.00 0.00 52.86 50.47 3bb6 s ASN 95 Cb -0.01 0.61 -0.02 0.00 1.28 0.00 0.00 41.25 43.11 3bb6 s ASN 95 CO 0.06 -1.10 -0.18 -0.63 -2.04 0.00 0.00 177.10 173.22 3bb6 s ILE 96 N -3.86 1.44 -0.08 0.54 1.01 -1.26 -2.24 121.20 116.76 3bb6 s ILE 96 Ca 0.08 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.74 3bb6 s ILE 96 Cb -0.02 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.21 3bb6 s ILE 96 CO -0.03 0.20 -0.17 -1.81 0.00 0.00 0.00 174.94 173.13 3bb6 s ASP 97 N -0.95 2.31 -0.14 3.58 1.01 -0.08 -1.12 116.67 121.29 3bb6 s ASP 97 Ca 0.06 -0.41 -0.06 0.00 0.71 0.00 0.00 52.55 52.85 3bb6 s ASP 97 Cb -0.08 -1.06 -0.04 0.00 1.01 0.00 0.00 42.92 42.75 3bb6 s ASP 97 CO 0.01 0.08 0.09 -0.36 0.21 0.00 0.00 175.17 175.20 3bb6 s PHE 98 N 0.54 3.39 -0.03 4.23 0.40 0.13 0.24 117.98 126.88 3bb6 s PHE 98 Ca -0.16 0.32 0.06 0.00 -0.60 0.00 0.00 56.93 56.55 3bb6 s PHE 98 Cb -0.17 -1.96 -0.01 0.00 0.51 0.00 0.00 43.02 41.39 3bb6 s PHE 98 CO 0.06 0.48 -0.23 -0.06 0.70 0.00 0.00 175.22 176.17 3bb6 s PHE 99 N -0.49 2.15 0.03 0.36 0.40 0.08 -1.46 117.98 119.05 3bb6 s PHE 99 Ca 0.11 -0.51 0.04 0.00 -0.60 0.00 0.00 56.93 55.97 3bb6 s PHE 99 Cb -0.12 -1.40 -0.02 0.00 0.51 0.00 0.00 43.02 41.99 3bb6 s PHE 99 CO 0.02 -0.11 -0.13 0.08 0.70 0.00 0.00 175.22 175.78 3bb6 s VAL 100 N -0.35 1.04 0.51 -0.44 1.01 -0.21 -0.46 120.40 121.50 3bb6 s VAL 100 Ca 0.03 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 60.92 3bb6 s VAL 100 Cb -0.11 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 3bb6 s VAL 100 CO 0.01 0.05 1.28 0.00 0.00 0.00 0.00 175.10 176.44 3bb6 s ALA 101 N -0.72 2.88 0.30 5.51 0.00 -0.13 -0.60 121.76 128.99 3bb6 s ALA 101 Ca 0.02 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.15 3bb6 s ALA 101 Cb -0.07 -3.49 0.47 0.00 0.00 0.00 0.00 23.12 20.03 3bb6 s ALA 101 CO 0.01 -1.08 1.87 -1.35 0.00 0.00 0.00 175.76 175.21 3bb6 h PRO 102 N 1.68 0.80 0.00 0.00 0.11 -1.93 -1.85 132.00 130.81 3bb6 h PRO 102 Ca -0.50 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.47 3bb6 h PRO 102 Cb 1.28 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3bb6 h PRO 102 CO 0.58 0.68 0.00 0.39 -0.21 0.00 0.00 178.00 179.45 3bb6 n GLU 103 N -4.31 0.18 -0.07 1.05 4.71 -1.26 -2.54 120.64 118.39 3bb6 n GLU 103 Ca 0.04 0.46 -0.12 0.00 -0.01 0.00 0.00 57.16 57.53 3bb6 n GLU 103 Cb 0.19 -1.88 -0.15 0.00 -1.01 0.00 0.00 31.44 28.60 3bb6 n GLU 103 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3bb6 n VAL 104 N -2.21 1.50 0.65 2.62 0.31 -0.77 -3.75 118.33 116.68 3bb6 n VAL 104 Ca 0.01 -0.78 0.00 0.00 -0.01 0.00 0.00 64.34 63.57 3bb6 n VAL 104 Cb 0.19 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 3bb6 n VAL 104 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3bb6 n LEU 105 N -2.98 0.71 -3.16 7.52 4.77 -0.77 -5.02 117.00 118.07 3bb6 n LEU 105 Ca -0.31 -0.36 0.05 0.00 -0.03 0.00 0.00 56.01 55.36 3bb6 n LEU 105 Cb 1.09 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.84 3bb6 n LEU 105 CO 0.41 0.17 0.43 -0.70 -1.33 0.00 0.00 177.39 176.37 3bb6 s GLU 107 N -0.93 0.33 0.33 3.23 2.12 -1.25 -5.12 118.70 117.42 3bb6 s GLU 107 Ca 0.00 0.59 -0.27 0.00 0.36 0.00 0.00 54.97 55.65 3bb6 s GLU 107 Cb 0.00 0.33 -0.09 0.00 0.26 0.00 0.00 34.13 34.63 3bb6 s GLU 107 CO 0.00 -0.35 1.07 0.20 -0.54 0.00 0.00 175.26 175.64 3bb6 s GLY 108 N 2.90 2.93 0.52 -1.50 0.00 -1.26 -5.02 107.32 105.90 3bb6 s GLY 108 Ca 0.07 0.80 -0.19 0.00 0.00 0.00 0.00 44.72 45.40 3bb6 s GLY 108 CO -0.15 1.33 1.06 0.00 0.00 0.00 0.00 173.10 175.34 3bb6 s ALA 109 N -1.37 2.81 0.32 3.20 0.00 -1.26 -5.07 121.76 120.40 3bb6 s ALA 109 Ca 0.50 0.58 0.06 0.00 0.00 0.00 0.00 51.96 53.10 3bb6 s ALA 109 Cb -0.27 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 3bb6 s ALA 109 CO 0.35 -0.51 -0.01 -0.65 0.00 0.00 0.00 175.76 174.94 3bb6 s GLN 110 N -3.47 1.68 0.00 0.00 -0.21 -1.26 -5.34 119.66 111.05 3bb6 s GLN 110 Ca 0.67 -1.90 0.00 0.00 0.02 0.00 0.00 55.36 54.15 3bb6 s GLN 110 Cb -0.17 -1.17 0.00 0.00 1.00 0.00 0.00 33.01 32.67 3bb6 s GLN 110 CO 0.25 -0.05 0.00 1.04 -2.12 0.00 0.00 175.29 174.41