#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bd2 s VAL 4 N 0.00 4.91 0.04 1.61 0.11 -1.26 -2.92 120.40 122.88 1bd2 s VAL 4 Ca 0.00 -0.18 0.03 0.00 -2.93 0.00 0.00 61.98 58.90 1bd2 s VAL 4 Cb 0.00 -3.43 -0.04 0.00 -1.53 0.00 0.00 36.38 31.38 1bd2 s VAL 4 CO 0.00 0.14 0.02 0.42 -3.33 0.00 0.00 175.10 172.34 1bd2 s THR 5 N 1.68 4.20 -0.11 5.04 -4.23 0.12 -4.15 115.64 118.18 1bd2 s THR 5 Ca 0.06 -0.74 -0.06 0.00 -1.18 0.00 0.00 61.69 59.77 1bd2 s THR 5 Cb -0.17 -2.94 0.05 0.00 1.34 0.00 0.00 72.50 70.78 1bd2 s THR 5 CO 0.08 0.26 0.27 0.00 -0.54 0.00 0.00 174.62 174.69 1bd2 s GLN 6 N -1.93 0.24 0.10 3.99 -2.07 -1.26 -0.54 119.66 118.20 1bd2 s GLN 6 Ca 0.23 0.56 0.09 0.00 -1.82 0.00 0.00 55.36 54.42 1bd2 s GLN 6 Cb -0.12 -0.09 -0.04 0.00 -1.09 0.00 0.00 33.01 31.68 1bd2 s GLN 6 CO 0.15 -0.15 -0.23 0.95 -1.32 0.00 0.00 175.29 174.68 1bd2 s THR 7 N 1.21 1.88 0.87 3.63 -4.23 -0.98 -4.59 115.64 113.43 1bd2 s THR 7 Ca -0.09 -1.56 -0.10 0.00 -1.18 0.00 0.00 61.69 58.76 1bd2 s THR 7 Cb -0.10 -1.68 0.17 0.00 1.34 0.00 0.00 72.50 72.23 1bd2 s THR 7 CO -0.09 0.03 1.20 -2.84 -0.54 0.00 0.00 174.62 172.38 1bd2 s PRO 8 N -1.84 1.06 -0.07 3.99 0.02 -1.26 -1.37 135.00 135.52 1bd2 s PRO 8 Ca 0.09 -0.64 -0.13 0.00 0.02 0.00 0.00 61.00 60.33 1bd2 s PRO 8 Cb -0.10 -2.02 -0.29 0.00 0.02 0.00 0.00 34.50 32.10 1bd2 s PRO 8 CO 0.04 -2.04 0.63 -0.22 -0.33 0.00 0.00 177.00 175.09 1bd2 h LYS 9 N -1.22 0.34 -4.96 5.54 3.64 -1.87 -3.42 116.57 114.62 1bd2 h LYS 9 Ca -0.42 -0.58 -0.36 0.00 -1.27 0.00 0.00 60.65 58.03 1bd2 h LYS 9 Cb 1.25 0.21 -0.23 0.00 -0.41 0.00 0.00 32.23 33.06 1bd2 h LYS 9 CO 0.40 1.28 -0.76 -0.06 -2.27 0.00 0.00 179.45 178.03 1bd2 s PHE 10 N -2.53 0.95 -0.13 1.91 0.08 -1.26 -0.69 117.98 116.31 1bd2 s PHE 10 Ca -0.17 -0.42 -0.17 0.00 0.12 0.00 0.00 56.93 56.29 1bd2 s PHE 10 Cb 0.05 -0.56 0.04 0.00 -0.57 0.00 0.00 43.02 41.99 1bd2 s PHE 10 CO 0.82 -0.01 0.45 -1.14 -0.10 0.00 0.00 175.22 175.24 1bd2 s GLN 11 N -1.42 0.60 -0.06 0.44 2.00 -0.47 -4.96 119.66 115.79 1bd2 s GLN 11 Ca -0.04 0.46 0.03 0.00 -2.00 0.00 0.00 55.36 53.81 1bd2 s GLN 11 Cb -0.09 0.29 0.01 0.00 0.80 0.00 0.00 33.01 34.02 1bd2 s GLN 11 CO 0.01 -0.11 -0.14 0.08 -0.50 0.00 0.00 175.29 174.64 1bd2 s VAL 12 N -0.15 1.23 0.15 1.34 1.01 -1.26 -1.93 120.40 120.79 1bd2 s VAL 12 Ca -0.03 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1bd2 s VAL 12 Cb -0.03 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1bd2 s VAL 12 CO 0.02 0.37 -0.04 -0.76 0.00 0.00 0.00 175.10 174.70 1bd2 s LEU 13 N 0.52 2.30 -0.07 3.92 1.43 -0.47 -4.99 118.68 121.32 1bd2 s LEU 13 Ca -0.13 -1.10 0.02 0.00 -1.03 0.00 0.00 54.13 51.89 1bd2 s LEU 13 Cb -0.15 -0.13 -0.03 0.00 0.03 0.00 0.00 46.19 45.92 1bd2 s LEU 13 CO 0.04 -0.49 -0.09 -0.75 0.23 0.00 0.00 176.35 175.28 1bd2 s LYS 14 N -3.86 2.71 -0.29 1.70 2.20 -1.26 -0.99 119.74 119.95 1bd2 s LYS 14 Ca 0.20 -0.60 -0.44 0.00 -0.36 0.00 0.00 55.97 54.77 1bd2 s LYS 14 Cb 0.05 -2.53 -0.20 0.00 -1.51 0.00 0.00 37.83 33.64 1bd2 s LYS 14 CO 0.01 0.63 1.40 2.41 -0.36 0.00 0.00 175.35 179.44 1bd2 n THR 15 N 2.31 0.01 0.00 3.43 -1.04 0.31 -1.38 114.28 117.93 1bd2 n THR 15 Ca -0.18 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1bd2 n THR 15 Cb 0.53 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 1bd2 n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bd2 n GLY 16 N 3.03 2.32 3.79 3.41 0.00 -0.61 -4.91 105.19 112.22 1bd2 n GLY 16 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 1bd2 n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bd2 s GLN 17 N -0.26 4.41 0.49 1.61 -0.21 -0.48 -4.38 119.66 120.85 1bd2 s GLN 17 Ca 0.00 1.35 -0.03 0.00 0.02 0.00 0.00 55.36 56.71 1bd2 s GLN 17 Cb 0.00 -2.63 -0.01 0.00 1.00 0.00 0.00 33.01 31.37 1bd2 s GLN 17 CO 0.00 0.11 0.76 -1.54 -2.12 0.00 0.00 175.29 172.50 1bd2 s SER 18 N -1.68 5.89 -0.24 5.90 1.04 -1.26 -0.05 113.70 123.31 1bd2 s SER 18 Ca 0.54 0.57 -0.26 0.00 0.48 0.00 0.00 55.95 57.28 1bd2 s SER 18 Cb -0.18 -1.79 0.09 0.00 0.10 0.00 0.00 66.02 64.24 1bd2 s SER 18 CO 0.23 -0.75 0.82 -0.32 0.98 0.00 0.00 173.24 174.20 1bd2 s MET 19 N -4.71 0.76 -0.07 4.02 1.75 -0.04 -4.94 119.30 116.07 1bd2 s MET 19 Ca 0.49 0.75 0.03 0.00 -1.25 0.00 0.00 55.69 55.71 1bd2 s MET 19 Cb -0.10 0.37 0.00 0.00 2.84 0.00 0.00 34.83 37.94 1bd2 s MET 19 CO 0.41 -0.12 -0.17 0.95 -0.65 0.00 0.00 175.02 175.44 1bd2 s THR 20 N 0.06 1.49 -0.15 10.11 -4.23 -1.26 -0.06 115.64 121.61 1bd2 s THR 20 Ca -0.01 -0.71 -0.15 0.00 -1.18 0.00 0.00 61.69 59.65 1bd2 s THR 20 Cb -0.04 -1.31 -0.04 0.00 1.34 0.00 0.00 72.50 72.45 1bd2 s THR 20 CO 0.00 0.43 0.36 -0.76 -0.54 0.00 0.00 174.62 174.11 1bd2 s LEU 21 N 0.38 4.25 -0.10 4.79 1.43 0.73 -4.83 118.68 125.33 1bd2 s LEU 21 Ca -0.12 0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 53.45 1bd2 s LEU 21 Cb -0.15 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 1bd2 s LEU 21 CO 0.05 0.06 0.32 -1.10 0.23 0.00 0.00 176.35 175.90 1bd2 s GLN 22 N 0.55 4.00 -0.07 1.70 -1.52 -0.47 -0.60 119.66 123.25 1bd2 s GLN 22 Ca 0.20 0.19 -0.01 0.00 -1.95 0.00 0.00 55.36 53.78 1bd2 s GLN 22 Cb -0.14 -3.31 0.03 0.00 -0.22 0.00 0.00 33.01 29.36 1bd2 s GLN 22 CO 0.06 0.48 -0.02 0.00 -0.25 0.00 0.00 175.29 175.57 1bd2 s ALA 24 N 1.76 1.12 -0.03 0.00 0.00 0.30 -1.72 121.76 123.20 1bd2 s ALA 24 Ca 0.02 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.54 1bd2 s ALA 24 Cb -0.13 -0.38 -0.00 0.00 0.00 0.00 0.00 23.12 22.61 1bd2 s ALA 24 CO -0.05 0.21 -0.16 -1.14 0.00 0.00 0.00 175.76 174.62 1bd2 s GLN 25 N 0.07 1.56 0.00 0.00 -0.44 -0.49 0.10 119.66 120.46 1bd2 s GLN 25 Ca -0.02 -0.56 0.15 0.00 -2.50 0.00 0.00 55.36 52.43 1bd2 s GLN 25 Cb -0.09 -1.40 0.40 0.00 -1.64 0.00 0.00 33.01 30.28 1bd2 s GLN 25 CO 0.01 0.25 1.32 -0.40 0.50 0.00 0.00 175.29 176.97 1bd2 n ASP 26 N 3.06 3.21 -0.98 6.67 3.85 -1.15 -4.62 116.55 126.58 1bd2 n ASP 26 Ca -0.17 -1.97 0.08 0.00 -0.71 0.00 0.00 54.79 52.02 1bd2 n ASP 26 Cb 0.53 -0.29 0.23 0.00 -1.35 0.00 0.00 41.12 40.24 1bd2 n ASP 26 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 1bd2 n MET 27 N 0.92 2.30 -3.85 0.11 2.81 -1.26 -4.92 117.12 113.23 1bd2 n MET 27 Ca 0.16 -1.86 -0.29 0.00 -1.81 0.00 0.00 57.70 53.90 1bd2 n MET 27 Cb 0.49 -1.45 0.04 0.00 -0.71 0.00 0.00 33.22 31.59 1bd2 n MET 27 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1bd2 n ASN 28 N 0.95 -5.19 -4.78 7.83 3.02 -1.26 -4.94 115.26 110.89 1bd2 n ASN 28 Ca 0.17 -0.73 -0.39 0.00 -0.03 0.00 0.00 54.58 53.61 1bd2 n ASN 28 Cb 0.47 -4.14 -0.06 0.00 -0.61 0.00 0.00 39.78 35.44 1bd2 n ASN 28 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1bd2 s HIS 29 N -3.30 3.74 -0.12 3.10 3.76 -1.26 -4.99 115.29 116.22 1bd2 s HIS 29 Ca 0.65 1.25 0.15 0.00 -0.15 0.00 0.00 55.06 56.96 1bd2 s HIS 29 Cb -0.32 -2.58 -0.04 0.00 1.11 0.00 0.00 32.58 30.76 1bd2 s HIS 29 CO 0.81 0.45 1.21 1.05 -0.85 0.00 0.00 174.74 177.40 1bd2 h GLU 30 N 5.17 0.00 -5.58 1.40 9.09 -1.87 -3.46 114.58 119.33 1bd2 h GLU 30 Ca -0.47 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.29 1bd2 h GLU 30 Cb 1.21 0.00 -0.21 0.00 -1.65 0.00 0.00 28.75 28.09 1bd2 h GLU 30 CO 0.67 0.48 -0.69 -0.47 0.05 0.00 0.00 179.01 179.05 1bd2 s TYR 31 N -2.92 2.98 0.01 2.06 6.14 -0.58 -2.58 117.35 122.46 1bd2 s TYR 31 Ca 0.01 -0.23 0.01 0.00 0.64 0.00 0.00 57.07 57.50 1bd2 s TYR 31 Cb 0.08 -1.86 -0.01 0.00 0.42 0.00 0.00 41.96 40.59 1bd2 s TYR 31 CO 0.78 0.07 -0.04 -1.64 0.64 0.00 0.00 175.55 175.36 1bd2 s MET 32 N -0.03 0.32 0.07 4.97 -1.94 -0.36 -0.89 119.30 121.43 1bd2 s MET 32 Ca 0.00 -0.37 -0.01 0.00 -1.71 0.00 0.00 55.69 53.61 1bd2 s MET 32 Cb -0.13 -0.16 -0.04 0.00 2.01 0.00 0.00 34.83 36.50 1bd2 s MET 32 CO 0.03 0.03 -0.02 -1.54 -0.01 0.00 0.00 175.02 173.52 1bd2 s SER 33 N -0.73 0.53 -0.13 3.03 1.04 0.18 0.11 113.70 117.73 1bd2 s SER 33 Ca -0.05 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 55.34 1bd2 s SER 33 Cb -0.05 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.29 1bd2 s SER 33 CO -0.00 -0.61 -0.14 0.26 0.98 0.00 0.00 173.24 173.73 1bd2 s TRP 34 N -3.91 2.03 0.45 5.02 0.52 -0.56 -0.64 118.94 121.85 1bd2 s TRP 34 Ca 0.11 -1.06 0.05 0.00 0.02 0.00 0.00 56.10 55.22 1bd2 s TRP 34 Cb 0.08 -1.50 -0.05 0.00 -1.15 0.00 0.00 33.47 30.85 1bd2 s TRP 34 CO -0.07 -0.58 0.06 0.71 0.02 0.00 0.00 176.95 177.09 1bd2 s TYR 35 N 1.31 2.29 -0.16 -1.98 1.51 -0.22 -0.33 117.35 119.77 1bd2 s TYR 35 Ca 0.00 -0.75 -0.08 0.00 -1.01 0.00 0.00 57.07 55.23 1bd2 s TYR 35 Cb -0.14 -1.77 0.06 0.00 -0.11 0.00 0.00 41.96 40.01 1bd2 s TYR 35 CO -0.07 0.29 0.38 -0.98 -1.11 0.00 0.00 175.55 174.06 1bd2 s ARG 36 N -3.82 0.34 -0.24 -0.62 1.70 -0.98 -1.78 118.95 113.55 1bd2 s ARG 36 Ca 0.27 0.78 -0.09 0.00 -0.47 0.00 0.00 55.73 56.21 1bd2 s ARG 36 Cb 0.06 0.00 -0.04 0.00 -0.57 0.00 0.00 34.95 34.40 1bd2 s ARG 36 CO 0.14 -0.18 0.13 -1.14 -1.08 0.00 0.00 175.30 173.18 1bd2 s GLN 37 N 1.58 3.93 0.14 3.89 0.74 -0.64 -2.84 119.66 126.46 1bd2 s GLN 37 Ca -0.08 -0.34 0.11 0.00 0.05 0.00 0.00 55.36 55.10 1bd2 s GLN 37 Cb -0.09 -3.47 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 1bd2 s GLN 37 CO -0.12 -0.03 -0.25 -0.51 -0.55 0.00 0.00 175.29 173.83 1bd2 s ASP 38 N 1.26 3.23 0.23 6.67 1.11 -1.15 -3.75 116.67 124.27 1bd2 s ASP 38 Ca 0.06 -0.77 -0.07 0.00 0.18 0.00 0.00 52.55 51.96 1bd2 s ASP 38 Cb -0.14 -0.21 0.40 0.00 1.07 0.00 0.00 42.92 44.04 1bd2 s ASP 38 CO 0.05 0.15 1.68 -0.65 1.18 0.00 0.00 175.17 177.58 1bd2 h PRO 39 N 3.76 0.21 0.00 8.23 0.11 -1.98 -2.78 132.00 139.55 1bd2 h PRO 39 Ca -0.49 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 1bd2 h PRO 39 Cb 1.18 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1bd2 h PRO 39 CO 0.41 0.14 -0.38 0.78 -0.21 0.00 0.00 178.00 178.75 1bd2 h GLY 40 N 0.22 0.00 -5.09 -0.55 0.00 -2.03 -3.40 103.07 92.21 1bd2 h GLY 40 Ca 0.38 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 47.27 1bd2 h GLY 40 CO -0.51 0.00 -1.08 1.15 0.00 0.00 0.00 176.54 176.10 1bd2 n MET 41 N -3.38 1.68 0.00 4.80 3.85 -1.05 -5.12 117.12 117.90 1bd2 n MET 41 Ca 0.01 -3.61 0.00 0.00 -1.00 0.00 0.00 57.70 53.10 1bd2 n MET 41 Cb 0.57 -1.57 0.00 0.00 -1.05 0.00 0.00 33.22 31.17 1bd2 n MET 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1bd2 n GLY 42 N -0.09 1.11 3.93 3.17 0.00 -1.23 -4.54 105.19 107.54 1bd2 n GLY 42 Ca 0.19 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 1bd2 n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bd2 s LEU 43 N 0.00 4.31 0.00 0.99 1.43 -1.26 -2.92 118.68 121.23 1bd2 s LEU 43 Ca 0.00 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 1bd2 s LEU 43 Cb 0.00 -3.02 -0.00 0.00 0.03 0.00 0.00 46.19 43.20 1bd2 s LEU 43 CO 0.00 0.05 -0.01 -0.13 0.23 0.00 0.00 176.35 176.49 1bd2 s ARG 44 N -3.09 0.06 0.15 1.70 0.52 -1.13 -4.94 118.95 112.23 1bd2 s ARG 44 Ca 0.36 -0.10 -0.28 0.00 -0.52 0.00 0.00 55.73 55.19 1bd2 s ARG 44 Cb -0.11 0.00 -0.07 0.00 0.52 0.00 0.00 34.95 35.28 1bd2 s ARG 44 CO 0.28 -0.00 0.87 -1.17 0.02 0.00 0.00 175.30 175.30 1bd2 s LEU 45 N -0.23 4.56 -0.17 2.53 2.96 -1.26 -2.32 118.68 124.75 1bd2 s LEU 45 Ca -0.02 1.73 -0.17 0.00 -0.22 0.00 0.00 54.13 55.45 1bd2 s LEU 45 Cb -0.02 -3.44 -0.06 0.00 0.50 0.00 0.00 46.19 43.17 1bd2 s LEU 45 CO -0.00 0.09 -0.33 -0.38 -1.32 0.00 0.00 176.35 174.41 1bd2 n ILE 46 N 2.09 1.47 -3.74 6.68 5.41 0.56 -1.30 119.36 130.53 1bd2 n ILE 46 Ca -0.02 0.16 -0.10 0.00 1.00 0.00 0.00 62.75 63.79 1bd2 n ILE 46 Cb 0.49 -2.31 -0.06 0.00 -0.71 0.00 0.00 39.64 37.05 1bd2 n ILE 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1bd2 s HIS 47 N -2.84 -0.03 0.08 1.39 3.76 -1.24 -0.58 115.29 115.82 1bd2 s HIS 47 Ca -0.27 -0.33 -0.07 0.00 -0.15 0.00 0.00 55.06 54.23 1bd2 s HIS 47 Cb 0.04 0.10 -0.01 0.00 1.11 0.00 0.00 32.58 33.82 1bd2 s HIS 47 CO 0.41 -0.62 0.15 1.52 -0.85 0.00 0.00 174.74 175.35 1bd2 s TYR 48 N -3.77 0.21 -0.07 1.40 1.13 -0.56 -1.50 117.35 114.19 1bd2 s TYR 48 Ca 0.04 -0.65 -0.00 0.00 -1.41 0.00 0.00 57.07 55.04 1bd2 s TYR 48 Cb 0.03 -0.12 0.02 0.00 -1.10 0.00 0.00 41.96 40.80 1bd2 s TYR 48 CO -0.11 -0.50 -0.03 0.45 -2.51 0.00 0.00 175.55 172.85 1bd2 s SER 49 N -2.80 1.45 0.00 -0.18 0.15 0.12 -1.91 113.70 110.53 1bd2 s SER 49 Ca 0.04 -0.14 0.28 0.00 0.70 0.00 0.00 55.95 56.84 1bd2 s SER 49 Cb 0.05 -0.51 1.14 0.00 -1.71 0.00 0.00 66.02 64.99 1bd2 s SER 49 CO -0.10 -0.13 1.83 1.33 1.20 0.00 0.00 173.24 177.37 1bd2 n VAL 50 N 4.71 0.00 0.00 4.45 0.24 -1.26 -1.22 118.33 125.24 1bd2 n VAL 50 Ca -0.14 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1bd2 n VAL 50 Cb 0.50 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 1bd2 n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bd2 n GLY 51 N 1.40 1.84 3.66 7.63 0.00 -1.06 -4.30 105.19 114.35 1bd2 n GLY 51 Ca 0.10 -0.97 -0.60 0.00 0.00 0.00 0.00 46.02 44.55 1bd2 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bd2 n ALA 52 N -0.74 -1.27 -0.73 4.61 0.00 -1.26 -0.58 120.51 120.54 1bd2 n ALA 52 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1bd2 n ALA 52 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.42 1bd2 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bd2 n GLY 53 N 3.34 1.07 3.28 0.00 0.00 0.89 -5.02 105.19 108.75 1bd2 n GLY 53 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1bd2 n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bd2 s ILE 54 N -3.55 1.91 -0.02 -0.61 1.01 0.26 -4.96 121.20 115.24 1bd2 s ILE 54 Ca 0.00 -1.06 -0.17 0.00 0.00 0.00 0.00 60.65 59.42 1bd2 s ILE 54 Cb 0.00 -1.59 0.03 0.00 0.01 0.00 0.00 42.46 40.91 1bd2 s ILE 54 CO 0.00 0.52 0.36 0.42 0.00 0.00 0.00 174.94 176.23 1bd2 s THR 55 N -0.59 0.05 -0.01 2.92 -4.23 -1.26 -4.11 115.64 108.41 1bd2 s THR 55 Ca 0.09 -0.42 -0.23 0.00 -1.18 0.00 0.00 61.69 59.96 1bd2 s THR 55 Cb -0.09 -0.67 0.05 0.00 1.34 0.00 0.00 72.50 73.12 1bd2 s THR 55 CO -0.01 -0.23 0.50 -0.62 -0.54 0.00 0.00 174.62 173.73 1bd2 s ASP 56 N -1.34 -0.43 0.55 3.99 2.15 -0.80 -5.03 116.67 115.76 1bd2 s ASP 56 Ca -0.13 0.33 -0.16 0.00 0.43 0.00 0.00 52.55 53.02 1bd2 s ASP 56 Cb -0.04 0.45 -0.06 0.00 -0.30 0.00 0.00 42.92 42.96 1bd2 s ASP 56 CO 0.05 -0.59 1.02 0.00 -0.17 0.00 0.00 175.17 175.48 1bd2 s GLN 57 N -1.62 3.68 0.00 4.34 -2.07 -1.26 -1.49 119.66 121.23 1bd2 s GLN 57 Ca -0.10 1.06 0.00 0.00 -1.82 0.00 0.00 55.36 54.50 1bd2 s GLN 57 Cb -0.02 -2.09 0.00 0.00 -1.09 0.00 0.00 33.01 29.81 1bd2 s GLN 57 CO 0.05 -0.50 0.00 0.41 -1.32 0.00 0.00 175.29 173.92 1bd2 n GLY 58 N -1.32 3.42 0.22 2.60 0.00 0.25 -4.81 105.19 105.56 1bd2 n GLY 58 Ca 0.07 -1.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 1bd2 n GLY 58 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1bd2 h GLU 59 N 0.00 -0.46 -2.59 1.61 4.81 -1.41 -3.38 114.58 113.16 1bd2 h GLU 59 Ca 0.00 0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.60 1bd2 h GLU 59 Cb 0.00 0.10 -0.38 0.00 0.63 0.00 0.00 28.75 29.11 1bd2 h GLU 59 CO 0.00 -0.14 -0.19 1.33 -0.73 0.00 0.00 179.01 179.28 1bd2 n VAL 60 N -5.14 3.12 1.17 0.32 0.24 -0.53 -4.88 118.33 112.64 1bd2 n VAL 60 Ca -0.09 -5.36 0.13 0.00 -2.04 0.00 0.00 64.34 56.98 1bd2 n VAL 60 Cb 0.28 -2.14 0.41 0.00 -1.47 0.00 0.00 33.84 30.92 1bd2 n VAL 60 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1bd2 n PRO 61 N 1.24 0.44 -2.11 7.34 -0.04 -1.24 -4.50 135.00 136.12 1bd2 n PRO 61 Ca 0.27 -0.22 -0.42 0.00 -0.04 0.00 0.00 63.50 63.09 1bd2 n PRO 61 Cb 0.38 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 1bd2 n PRO 61 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1bd2 s ASN 62 N -2.71 6.75 0.00 3.54 0.01 -1.26 -3.02 114.94 118.24 1bd2 s ASN 62 Ca 0.20 2.20 0.00 0.00 -0.71 0.00 0.00 52.86 54.55 1bd2 s ASN 62 Cb 0.19 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.30 1bd2 s ASN 62 CO 0.57 -0.82 0.00 0.61 -1.51 0.00 0.00 177.10 175.95 1bd2 n GLY 63 N 3.87 3.20 3.51 0.66 0.00 -1.26 -5.06 105.19 110.10 1bd2 n GLY 63 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1bd2 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bd2 s TYR 65 N -2.77 2.60 0.33 1.61 1.51 -1.17 -3.60 117.35 115.86 1bd2 s TYR 65 Ca 0.00 -0.23 0.10 0.00 -1.01 0.00 0.00 57.07 55.93 1bd2 s TYR 65 Cb 0.00 -1.39 -0.06 0.00 -0.11 0.00 0.00 41.96 40.40 1bd2 s TYR 65 CO 0.00 0.38 -0.10 -0.80 -1.11 0.00 0.00 175.55 173.92 1bd2 s ASN 66 N -2.06 3.76 0.09 2.29 0.01 -0.38 -4.99 114.94 113.66 1bd2 s ASN 66 Ca 0.18 -1.13 -0.21 0.00 -0.71 0.00 0.00 52.86 50.99 1bd2 s ASN 66 Cb -0.11 -0.37 0.05 0.00 0.41 0.00 0.00 41.25 41.24 1bd2 s ASN 66 CO 0.10 -0.15 0.51 0.54 -1.51 0.00 0.00 177.10 176.59 1bd2 s VAL 67 N -2.58 0.03 0.17 1.60 0.11 -1.26 -2.15 120.40 116.32 1bd2 s VAL 67 Ca 0.32 -0.27 -0.12 0.00 -2.93 0.00 0.00 61.98 58.98 1bd2 s VAL 67 Cb 0.01 -1.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1bd2 s VAL 67 CO 0.17 -0.15 0.37 -0.94 -3.33 0.00 0.00 175.10 171.21 1bd2 s SER 68 N -2.32 -0.07 -0.47 3.54 1.04 -1.25 -5.04 113.70 109.14 1bd2 s SER 68 Ca -0.02 -0.69 0.06 0.00 0.48 0.00 0.00 55.95 55.77 1bd2 s SER 68 Cb -0.00 0.48 0.19 0.00 0.10 0.00 0.00 66.02 66.79 1bd2 s SER 68 CO -0.06 -0.94 0.59 -1.14 0.98 0.00 0.00 173.24 172.67 1bd2 n ARG 69 N -0.25 0.43 0.00 4.02 3.00 -1.26 -3.89 116.66 118.71 1bd2 n ARG 69 Ca -0.09 -2.47 0.13 0.00 -0.00 0.00 0.00 57.85 55.41 1bd2 n ARG 69 Cb 0.63 -1.53 0.36 0.00 0.00 0.00 0.00 32.46 31.91 1bd2 n ARG 69 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1bd2 n SER 70 N 2.79 0.54 -4.06 6.15 3.41 -1.26 -0.08 113.62 121.12 1bd2 n SER 70 Ca 0.22 -0.33 -0.10 0.00 -0.26 0.00 0.00 58.87 58.40 1bd2 n SER 70 Cb 0.53 0.10 -0.11 0.00 -0.26 0.00 0.00 64.21 64.48 1bd2 n SER 70 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1bd2 s THR 71 N -2.84 0.35 -0.69 6.66 -4.23 -1.26 -4.81 115.64 108.82 1bd2 s THR 71 Ca 0.16 -1.31 0.26 0.00 -1.18 0.00 0.00 61.69 59.61 1bd2 s THR 71 Cb 0.18 -0.85 0.29 0.00 1.34 0.00 0.00 72.50 73.46 1bd2 s THR 71 CO 0.62 -0.63 1.76 0.00 -0.54 0.00 0.00 174.62 175.82 1bd2 h THR 72 N 4.02 0.00 0.13 3.99 1.03 -1.93 -3.29 112.91 116.86 1bd2 h THR 72 Ca -0.34 -0.53 -0.29 0.00 -0.01 0.00 0.00 66.41 65.25 1bd2 h THR 72 Cb 1.19 1.52 0.00 0.00 -1.07 0.00 0.00 68.15 69.78 1bd2 h THR 72 CO 0.50 0.00 -1.34 -0.33 -0.01 0.00 0.00 175.52 174.34 1bd2 h GLU 73 N 0.00 0.28 -6.68 0.00 3.07 -1.88 -3.44 114.58 105.93 1bd2 h GLU 73 Ca 0.00 -0.48 -0.67 0.00 -0.50 0.00 0.00 59.36 57.71 1bd2 h GLU 73 Cb 0.75 0.18 -0.25 0.00 -0.84 0.00 0.00 28.75 28.59 1bd2 h GLU 73 CO 0.00 1.20 -0.87 -0.51 -1.40 0.00 0.00 179.01 177.43 1bd2 s ASP 74 N -7.12 3.09 -0.42 1.42 1.01 -1.24 -1.40 116.67 112.01 1bd2 s ASP 74 Ca -0.06 -0.64 0.04 0.00 0.71 0.00 0.00 52.55 52.60 1bd2 s ASP 74 Cb 0.07 -0.25 0.17 0.00 1.01 0.00 0.00 42.92 43.92 1bd2 s ASP 74 CO 0.88 0.21 0.38 0.12 0.21 0.00 0.00 175.17 176.96 1bd2 s PHE 75 N -0.91 0.66 -0.00 4.23 5.36 -0.70 -4.41 117.98 122.21 1bd2 s PHE 75 Ca 0.12 -1.98 -0.30 0.00 -0.96 0.00 0.00 56.93 53.80 1bd2 s PHE 75 Cb -0.10 -0.74 -0.04 0.00 -0.34 0.00 0.00 43.02 41.80 1bd2 s PHE 75 CO 0.03 -0.89 1.18 -1.25 -1.46 0.00 0.00 175.22 172.84 1bd2 s PRO 76 N 0.32 4.40 -0.45 10.12 0.04 -1.25 -4.05 135.00 144.12 1bd2 s PRO 76 Ca 0.30 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 62.86 1bd2 s PRO 76 Cb 0.00 -3.46 0.04 0.00 0.04 0.00 0.00 34.50 31.11 1bd2 s PRO 76 CO -0.15 -0.34 0.49 -1.17 0.04 0.00 0.00 177.00 175.87 1bd2 s LEU 77 N 1.65 4.96 -0.15 -3.56 2.96 0.24 -3.74 118.68 121.02 1bd2 s LEU 77 Ca 0.57 -0.78 -0.13 0.00 -0.22 0.00 0.00 54.13 53.56 1bd2 s LEU 77 Cb -0.26 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 43.98 1bd2 s LEU 77 CO 0.25 -0.67 0.27 0.00 -1.32 0.00 0.00 176.35 174.88 1bd2 s ARG 78 N 2.23 4.15 -0.42 1.98 1.70 -0.91 -0.20 118.95 127.48 1bd2 s ARG 78 Ca 0.12 0.06 -0.10 0.00 -0.47 0.00 0.00 55.73 55.34 1bd2 s ARG 78 Cb -0.18 -3.39 0.07 0.00 -0.57 0.00 0.00 34.95 30.88 1bd2 s ARG 78 CO 0.13 0.33 0.27 -0.51 -1.08 0.00 0.00 175.30 174.43 1bd2 s LEU 79 N 0.21 5.15 0.40 -1.89 1.02 0.92 -1.25 118.68 123.24 1bd2 s LEU 79 Ca 0.16 -1.39 0.13 0.00 0.02 0.00 0.00 54.13 53.05 1bd2 s LEU 79 Cb -0.13 -2.02 0.81 0.00 0.02 0.00 0.00 46.19 44.87 1bd2 s LEU 79 CO 0.04 -0.53 1.88 -0.07 0.02 0.00 0.00 176.35 177.69 1bd2 h LEU 80 N 8.47 0.01 -6.00 1.79 3.38 -1.83 -0.08 115.31 121.05 1bd2 h LEU 80 Ca -0.24 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.78 1bd2 h LEU 80 Cb 1.09 -0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.63 1bd2 h LEU 80 CO 0.76 0.31 -0.34 -0.94 0.09 0.00 0.00 178.44 178.32 1bd2 s SER 81 N -6.96 -1.52 0.71 -0.43 1.04 -1.26 -4.01 113.70 101.27 1bd2 s SER 81 Ca -0.03 0.24 -0.16 0.00 0.48 0.00 0.00 55.95 56.47 1bd2 s SER 81 Cb 0.15 1.99 -0.05 0.00 0.10 0.00 0.00 66.02 68.21 1bd2 s SER 81 CO 0.72 -0.28 0.47 0.00 0.98 0.00 0.00 173.24 175.13 1bd2 n ALA 82 N 5.40 -1.64 -3.21 5.32 0.00 0.93 -4.59 120.51 122.72 1bd2 n ALA 82 Ca 0.05 -0.22 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 1bd2 n ALA 82 Cb 0.54 -1.81 -0.10 0.00 0.00 0.00 0.00 19.45 18.08 1bd2 n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bd2 s ALA 83 N -1.90 -0.73 0.54 0.00 0.00 -1.26 -1.58 121.76 116.83 1bd2 s ALA 83 Ca 0.65 0.47 0.34 0.00 0.00 0.00 0.00 51.96 53.41 1bd2 s ALA 83 Cb -0.36 -0.12 1.51 0.00 0.00 0.00 0.00 23.12 24.15 1bd2 s ALA 83 CO 0.59 -0.22 1.85 -1.35 0.00 0.00 0.00 175.76 176.62 1bd2 h PRO 84 N 4.52 0.00 0.00 0.00 0.11 -1.94 -0.29 132.00 134.39 1bd2 h PRO 84 Ca -0.29 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.76 1bd2 h PRO 84 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1bd2 h PRO 84 CO 0.37 0.00 -0.29 0.66 -0.21 0.00 0.00 178.00 178.53 1bd2 h SER 85 N 0.00 0.00 0.00 -2.05 4.64 -1.97 -2.78 113.55 111.39 1bd2 h SER 85 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1bd2 h SER 85 Cb 1.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 1bd2 h SER 85 CO -0.01 0.29 0.00 0.00 -0.87 0.00 0.00 176.83 176.25 1bd2 n GLN 86 N -3.81 0.91 -2.27 4.77 6.02 -0.12 -4.74 117.38 118.14 1bd2 n GLN 86 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.55 1bd2 n GLN 86 Cb 0.38 -1.08 -0.02 0.00 1.02 0.00 0.00 30.24 30.54 1bd2 n GLN 86 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1bd2 s THR 87 N -2.00 3.78 0.06 5.09 2.01 -1.05 -4.84 115.64 118.69 1bd2 s THR 87 Ca 0.07 0.78 -0.08 0.00 0.31 0.00 0.00 61.69 62.77 1bd2 s THR 87 Cb 0.03 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.47 1bd2 s THR 87 CO 0.05 -0.74 0.39 -0.24 -0.69 0.00 0.00 174.62 173.40 1bd2 n SER 88 N 9.33 -0.62 -4.34 3.53 2.88 -0.88 -5.00 113.62 118.52 1bd2 n SER 88 Ca 0.18 -1.30 -0.35 0.00 -1.33 0.00 0.00 58.87 56.07 1bd2 n SER 88 Cb 0.48 1.00 -0.14 0.00 -0.75 0.00 0.00 64.21 64.80 1bd2 n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1bd2 s VAL 89 N -2.35 3.39 -0.14 2.46 1.01 -1.25 -1.01 120.40 122.53 1bd2 s VAL 89 Ca 0.09 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1bd2 s VAL 89 Cb -0.01 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1bd2 s VAL 89 CO 0.02 0.45 0.05 -0.31 0.00 0.00 0.00 175.10 175.31 1bd2 s TYR 90 N 1.16 3.29 0.02 5.22 1.51 0.07 -1.62 117.35 126.99 1bd2 s TYR 90 Ca 0.02 0.19 0.08 0.00 -1.01 0.00 0.00 57.07 56.35 1bd2 s TYR 90 Cb -0.14 -1.95 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 1bd2 s TYR 90 CO -0.01 0.37 -0.23 -0.06 -1.11 0.00 0.00 175.55 174.52 1bd2 s PHE 91 N -0.34 2.00 0.02 2.71 0.08 -0.73 0.08 117.98 121.79 1bd2 s PHE 91 Ca 0.09 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.79 1bd2 s PHE 91 Cb -0.12 -1.23 -0.03 0.00 -0.57 0.00 0.00 43.02 41.06 1bd2 s PHE 91 CO 0.02 0.05 -0.09 0.00 -0.10 0.00 0.00 175.22 175.10 1bd2 s ALA 93 N -1.00 0.29 0.05 0.00 0.00 0.19 0.90 121.76 122.19 1bd2 s ALA 93 Ca 0.17 -0.81 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 1bd2 s ALA 93 Cb -0.11 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1bd2 s ALA 93 CO 0.08 -0.22 0.11 -1.54 0.00 0.00 0.00 175.76 174.18 1bd2 s SER 94 N -1.97 0.21 0.27 0.00 1.04 -0.25 0.50 113.70 113.51 1bd2 s SER 94 Ca -0.08 -0.64 -0.21 0.00 0.48 0.00 0.00 55.95 55.50 1bd2 s SER 94 Cb -0.04 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.36 1bd2 s SER 94 CO -0.04 -0.59 0.72 -0.94 0.98 0.00 0.00 173.24 173.38 1bd2 s SER 95 N -2.46 -0.27 -0.52 7.02 1.04 -0.07 -0.84 113.70 117.60 1bd2 s SER 95 Ca -0.00 -0.58 0.04 0.00 0.48 0.00 0.00 55.95 55.89 1bd2 s SER 95 Cb 0.02 0.72 0.17 0.00 0.10 0.00 0.00 66.02 67.03 1bd2 s SER 95 CO -0.07 -1.32 0.40 0.00 0.98 0.00 0.00 173.24 173.23 1bd2 n TYR 96 N -0.46 0.65 0.19 5.02 9.36 -0.70 -1.53 117.16 129.69 1bd2 n TYR 96 Ca -0.05 -3.68 -0.17 0.00 3.32 0.00 0.00 57.90 57.32 1bd2 n TYR 96 Cb 0.59 -0.07 -0.10 0.00 -0.63 0.00 0.00 39.34 39.13 1bd2 n TYR 96 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1bd2 h PRO 97 N 5.51 -0.84 0.00 2.98 0.11 -1.88 -1.03 132.00 136.86 1bd2 h PRO 97 Ca 0.22 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1bd2 h PRO 97 Cb 0.85 0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1bd2 h PRO 97 CO 0.50 -0.56 0.00 0.41 -0.21 0.00 0.00 178.00 178.14 1bd2 n GLY 98 N -1.52 -0.15 0.00 -0.55 0.00 -1.26 -1.32 105.19 100.38 1bd2 n GLY 98 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1bd2 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bd2 n GLY 99 N -0.44 0.07 0.00 -0.02 0.00 -1.08 -5.01 105.19 98.71 1bd2 n GLY 99 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1bd2 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bd2 n GLY 100 N -0.15 0.39 3.34 -0.02 0.00 -0.43 -5.04 105.19 103.28 1bd2 n GLY 100 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1bd2 n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bd2 s PHE 101 N -2.00 3.92 -0.02 1.61 0.40 -0.41 -4.77 117.98 116.71 1bd2 s PHE 101 Ca 0.00 -2.23 0.10 0.00 -0.60 0.00 0.00 56.93 54.20 1bd2 s PHE 101 Cb 0.00 -3.86 -0.23 0.00 0.51 0.00 0.00 43.02 39.43 1bd2 s PHE 101 CO 0.00 -1.01 0.75 1.88 0.70 0.00 0.00 175.22 177.54 1bd2 h TYR 104 N 7.40 0.06 -2.49 0.36 0.05 -1.85 -1.81 116.97 118.69 1bd2 h TYR 104 Ca 0.14 -0.04 -0.53 0.00 0.05 0.00 0.00 58.73 58.35 1bd2 h TYR 104 Cb 0.97 -0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.74 1bd2 h TYR 104 CO 0.94 1.08 1.15 -1.21 -1.05 0.00 0.00 178.16 179.07 1bd2 s GLU 105 N -2.61 4.15 0.12 4.88 8.01 -1.26 -4.93 118.70 127.06 1bd2 s GLU 105 Ca -0.05 2.54 -0.19 0.00 0.01 0.00 0.00 54.97 57.28 1bd2 s GLU 105 Cb 0.08 -3.86 -0.07 0.00 -4.31 0.00 0.00 34.13 25.97 1bd2 s GLU 105 CO 0.82 -0.88 0.61 -1.14 0.01 0.00 0.00 175.26 174.69 1bd2 s GLN 106 N 3.55 4.20 -0.20 1.61 0.74 -1.26 -4.76 119.66 123.54 1bd2 s GLN 106 Ca 0.83 0.75 -0.05 0.00 0.05 0.00 0.00 55.36 56.94 1bd2 s GLN 106 Cb -0.43 -3.12 -0.02 0.00 1.10 0.00 0.00 33.01 30.54 1bd2 s GLN 106 CO 0.38 0.56 0.00 0.71 -0.55 0.00 0.00 175.29 176.39 1bd2 s TYR 107 N -1.25 3.05 -0.13 1.67 2.02 -0.02 -4.94 117.35 117.75 1bd2 s TYR 107 Ca 0.34 -0.44 -0.09 0.00 -0.37 0.00 0.00 57.07 56.51 1bd2 s TYR 107 Cb -0.18 -2.09 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 1bd2 s TYR 107 CO 0.20 -0.23 0.17 -0.06 -1.57 0.00 0.00 175.55 174.07 1bd2 s PHE 108 N 0.99 3.57 1.02 2.71 0.40 -1.26 -1.08 117.98 124.33 1bd2 s PHE 108 Ca 0.02 0.54 -0.14 0.00 -0.60 0.00 0.00 56.93 56.75 1bd2 s PHE 108 Cb -0.14 -2.04 0.20 0.00 0.51 0.00 0.00 43.02 41.54 1bd2 s PHE 108 CO 0.02 0.61 1.13 0.20 0.70 0.00 0.00 175.22 177.88 1bd2 s GLY 109 N -0.67 1.59 0.54 4.36 0.00 0.26 -4.84 107.32 108.56 1bd2 s GLY 109 Ca 0.15 -0.64 0.25 0.00 0.00 0.00 0.00 44.72 44.48 1bd2 s GLY 109 CO 0.04 0.04 2.15 -0.56 0.00 0.00 0.00 173.10 174.77 1bd2 h PRO 110 N -1.93 0.00 0.00 2.90 0.13 -1.89 -3.42 132.00 127.79 1bd2 h PRO 110 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1bd2 h PRO 110 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1bd2 h PRO 110 CO 0.52 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 1bd2 n GLY 111 N -1.11 2.14 2.96 1.56 0.00 -1.26 -5.03 105.19 104.45 1bd2 n GLY 111 Ca -0.03 -1.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.04 1bd2 n GLY 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bd2 s THR 112 N -1.68 1.19 0.14 2.61 -4.23 0.11 -4.79 115.64 108.98 1bd2 s THR 112 Ca 0.00 -0.42 -0.30 0.00 -1.18 0.00 0.00 61.69 59.80 1bd2 s THR 112 Cb 0.00 -1.16 -0.06 0.00 1.34 0.00 0.00 72.50 72.62 1bd2 s THR 112 CO 0.00 0.39 0.95 -0.13 -0.54 0.00 0.00 174.62 175.29 1bd2 s ARG 113 N 1.44 4.72 -0.01 3.99 0.52 0.14 -0.75 118.95 128.99 1bd2 s ARG 113 Ca 0.01 1.44 0.01 0.00 -0.52 0.00 0.00 55.73 56.67 1bd2 s ARG 113 Cb -0.13 -3.35 0.01 0.00 0.52 0.00 0.00 34.95 31.99 1bd2 s ARG 113 CO -0.06 0.29 -0.03 -1.17 0.02 0.00 0.00 175.30 174.34 1bd2 s LEU 114 N -0.26 1.74 -0.03 2.53 0.20 -0.18 -1.37 118.68 121.32 1bd2 s LEU 114 Ca 0.45 -0.07 0.02 0.00 0.69 0.00 0.00 54.13 55.22 1bd2 s LEU 114 Cb -0.24 -0.25 0.01 0.00 -0.43 0.00 0.00 46.19 45.28 1bd2 s LEU 114 CO 0.30 0.01 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.40 1bd2 s THR 115 N 0.26 0.67 -0.11 3.68 2.01 -0.81 -2.07 115.64 119.27 1bd2 s THR 115 Ca -0.03 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1bd2 s THR 115 Cb -0.06 -0.62 0.01 0.00 0.01 0.00 0.00 72.50 71.85 1bd2 s THR 115 CO -0.00 0.22 -0.18 0.54 -0.69 0.00 0.00 174.62 174.51 1bd2 s VAL 116 N 0.35 1.65 0.28 3.82 0.11 -1.26 -1.37 120.40 123.98 1bd2 s VAL 116 Ca -0.05 -0.75 0.10 0.00 -2.93 0.00 0.00 61.98 58.35 1bd2 s VAL 116 Cb -0.09 -1.48 -0.05 0.00 -1.53 0.00 0.00 36.38 33.23 1bd2 s VAL 116 CO 0.00 0.47 -0.05 0.42 -3.33 0.00 0.00 175.10 172.62 1bd2 s THR 117 N 0.79 3.16 0.08 5.04 -4.23 -0.17 -4.58 115.64 115.73 1bd2 s THR 117 Ca -0.10 -2.03 -0.14 0.00 -1.18 0.00 0.00 61.69 58.24 1bd2 s THR 117 Cb -0.16 -2.72 -0.19 0.00 1.34 0.00 0.00 72.50 70.77 1bd2 s THR 117 CO 0.01 -0.36 1.24 -0.08 -0.54 0.00 0.00 174.62 174.89 1bd2 h GLU 118 N 1.96 0.72 -4.04 3.99 4.57 -1.95 0.89 114.58 120.72 1bd2 h GLU 118 Ca -0.43 -0.67 -0.47 0.00 -1.18 0.00 0.00 59.36 56.61 1bd2 h GLU 118 Cb 1.25 0.16 -0.36 0.00 -0.16 0.00 0.00 28.75 29.64 1bd2 h GLU 118 CO 0.61 1.26 -0.79 -0.51 -1.18 0.00 0.00 179.01 178.40 1bd2 s ASP 119 N -7.12 1.66 0.00 1.04 -0.00 -1.26 -4.50 116.67 106.48 1bd2 s ASP 119 Ca -0.10 -0.19 0.01 0.00 -0.00 0.00 0.00 52.55 52.26 1bd2 s ASP 119 Cb 0.07 -0.62 0.03 0.00 -0.00 0.00 0.00 42.92 42.40 1bd2 s ASP 119 CO 0.90 -0.11 0.96 0.18 -0.00 0.00 0.00 175.17 177.10 1bd2 n LEU 120 N 4.69 0.00 0.00 1.23 4.77 -1.26 -1.14 117.00 125.28 1bd2 n LEU 120 Ca -0.15 0.44 0.11 0.00 -0.03 0.00 0.00 56.01 56.38 1bd2 n LEU 120 Cb 0.50 -0.44 0.54 0.00 -2.33 0.00 0.00 43.42 41.70 1bd2 n LEU 120 CO 0.17 -0.43 0.85 0.29 -1.33 0.00 0.00 177.39 176.94 1bd2 n LYS 121 N -1.44 0.27 0.13 3.23 4.76 -1.26 -2.48 118.16 121.36 1bd2 n LYS 121 Ca 0.00 0.08 0.02 0.00 -2.87 0.00 0.00 58.31 55.55 1bd2 n LYS 121 Cb 0.01 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.71 1bd2 n LYS 121 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1bd2 h ASN 122 N 0.00 0.00 -2.94 4.39 2.35 -1.53 -3.45 115.58 114.40 1bd2 h ASN 122 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1bd2 h ASN 122 Cb 0.23 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.63 1bd2 h ASN 122 CO 0.00 0.53 0.78 -0.69 -1.65 0.00 0.00 177.43 176.39 1bd2 s VAL 123 N -2.95 3.13 -0.02 2.81 1.01 -1.04 -4.64 120.40 118.71 1bd2 s VAL 123 Ca 0.03 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1bd2 s VAL 123 Cb 0.08 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.97 1bd2 s VAL 123 CO 0.75 0.06 0.02 -0.36 0.00 0.00 0.00 175.10 175.57 1bd2 s PHE 124 N 1.20 0.04 0.85 5.22 0.08 0.19 -4.78 117.98 120.78 1bd2 s PHE 124 Ca 0.66 0.09 -0.12 0.00 0.12 0.00 0.00 56.93 57.69 1bd2 s PHE 124 Cb -0.39 -0.19 0.10 0.00 -0.57 0.00 0.00 43.02 41.97 1bd2 s PHE 124 CO 0.30 -0.07 1.10 -2.14 -0.10 0.00 0.00 175.22 174.31 1bd2 s PRO 125 N 0.82 1.66 0.62 0.24 0.02 -1.26 -1.84 135.00 135.26 1bd2 s PRO 125 Ca -0.07 0.63 -0.10 0.00 0.02 0.00 0.00 61.00 61.49 1bd2 s PRO 125 Cb -0.10 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.53 1bd2 s PRO 125 CO -0.02 -1.92 1.00 -1.25 -0.33 0.00 0.00 177.00 174.48 1bd2 s PRO 126 N -5.10 3.37 -0.49 5.54 0.04 -1.26 -3.90 135.00 133.19 1bd2 s PRO 126 Ca 0.62 0.55 0.04 0.00 0.04 0.00 0.00 61.00 62.24 1bd2 s PRO 126 Cb -0.16 -2.12 0.13 0.00 0.04 0.00 0.00 34.50 32.39 1bd2 s PRO 126 CO 0.55 -0.64 0.24 -1.21 0.04 0.00 0.00 177.00 175.98 1bd2 s GLU 127 N -5.15 1.78 0.36 4.56 2.02 0.97 -4.90 118.70 118.34 1bd2 s GLU 127 Ca 0.55 -2.42 -0.13 0.00 0.02 0.00 0.00 54.97 52.99 1bd2 s GLU 127 Cb -0.11 -3.08 -0.08 0.00 0.10 0.00 0.00 34.13 30.96 1bd2 s GLU 127 CO 0.52 -1.11 0.75 0.14 0.02 0.00 0.00 175.26 175.58 1bd2 s VAL 128 N -0.04 4.72 -0.28 2.63 -7.23 -1.26 -2.55 120.40 116.40 1bd2 s VAL 128 Ca 0.17 0.81 -0.17 0.00 -1.81 0.00 0.00 61.98 60.98 1bd2 s VAL 128 Cb -0.25 -3.66 0.09 0.00 0.56 0.00 0.00 36.38 33.12 1bd2 s VAL 128 CO -0.01 -0.33 0.75 0.00 -0.31 0.00 0.00 175.10 175.21 1bd2 s ALA 129 N -2.15 -1.95 0.15 1.32 0.00 -0.23 -4.69 121.76 114.21 1bd2 s ALA 129 Ca 0.53 2.34 -0.05 0.00 0.00 0.00 0.00 51.96 54.78 1bd2 s ALA 129 Cb -0.10 -1.46 -0.06 0.00 0.00 0.00 0.00 23.12 21.50 1bd2 s ALA 129 CO 0.23 -0.37 0.39 0.14 0.00 0.00 0.00 175.76 176.16 1bd2 s VAL 130 N 1.44 5.14 -0.15 0.00 -7.23 -1.26 -0.76 120.40 117.59 1bd2 s VAL 130 Ca -0.09 0.06 0.02 0.00 -1.81 0.00 0.00 61.98 60.16 1bd2 s VAL 130 Cb -0.05 -3.63 0.01 0.00 0.56 0.00 0.00 36.38 33.27 1bd2 s VAL 130 CO -0.17 0.02 -0.20 -0.36 -0.31 0.00 0.00 175.10 174.08 1bd2 s PHE 131 N -1.68 2.71 0.82 2.82 0.40 0.68 -4.97 117.98 118.76 1bd2 s PHE 131 Ca 0.42 -1.28 -0.11 0.00 -0.60 0.00 0.00 56.93 55.36 1bd2 s PHE 131 Cb -0.12 -1.85 0.09 0.00 0.51 0.00 0.00 43.02 41.65 1bd2 s PHE 131 CO 0.24 -0.59 1.13 -1.21 0.70 0.00 0.00 175.22 175.50 1bd2 s GLU 132 N 0.86 1.73 0.89 0.44 2.02 -1.26 -2.37 118.70 121.01 1bd2 s GLU 132 Ca -0.05 1.42 -0.13 0.00 0.02 0.00 0.00 54.97 56.23 1bd2 s GLU 132 Cb -0.15 -1.82 0.05 0.00 0.10 0.00 0.00 34.13 32.31 1bd2 s GLU 132 CO -0.02 -2.08 0.65 -2.30 0.02 0.00 0.00 175.26 171.53 1bd2 n PRO 133 N -3.68 -0.18 -2.86 0.39 -0.02 -1.24 -4.86 135.00 122.55 1bd2 n PRO 133 Ca 0.11 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.19 1bd2 n PRO 133 Cb 0.52 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 1bd2 n PRO 133 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1bd2 s SER 134 N -2.06 7.52 0.29 2.55 0.15 -1.26 -4.94 113.70 115.95 1bd2 s SER 134 Ca 0.62 1.80 0.05 0.00 0.70 0.00 0.00 55.95 59.12 1bd2 s SER 134 Cb -0.24 -2.56 0.45 0.00 -1.71 0.00 0.00 66.02 61.96 1bd2 s SER 134 CO 0.62 0.18 1.71 1.05 1.20 0.00 0.00 173.24 178.01 1bd2 h GLU 135 N 4.21 0.31 -0.17 5.44 9.09 -2.00 -1.91 114.58 129.57 1bd2 h GLU 135 Ca -0.46 -0.14 -0.03 0.00 0.05 0.00 0.00 59.36 58.78 1bd2 h GLU 135 Cb 1.20 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 28.29 1bd2 h GLU 135 CO 0.67 0.63 -0.02 0.00 0.05 0.00 0.00 179.01 180.34 1bd2 h ALA 136 N 1.36 0.23 0.10 1.06 0.00 -1.99 -2.22 119.26 117.80 1bd2 h ALA 136 Ca 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1bd2 h ALA 136 Cb 0.76 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1bd2 h ALA 136 CO 0.06 -0.03 -0.15 1.49 0.00 0.00 0.00 179.25 180.62 1bd2 h GLU 137 N 0.03 -0.29 -0.40 0.00 4.81 -1.83 0.50 114.58 117.40 1bd2 h GLU 137 Ca 0.04 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1bd2 h GLU 137 Cb 0.44 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.82 1bd2 h GLU 137 CO 0.01 -0.20 -0.05 0.82 -0.73 0.00 0.00 179.01 178.86 1bd2 h ILE 138 N -0.31 0.65 0.47 2.32 2.04 -1.35 0.32 117.51 121.65 1bd2 h ILE 138 Ca 0.02 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1bd2 h ILE 138 Cb 0.32 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1bd2 h ILE 138 CO -0.08 0.01 -0.23 -1.28 0.00 0.00 0.00 178.15 176.58 1bd2 h SER 139 N 0.05 -0.53 -0.53 1.72 0.87 -0.92 -0.80 113.55 113.41 1bd2 h SER 139 Ca 0.19 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1bd2 h SER 139 Cb 0.29 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 1bd2 h SER 139 CO -0.37 -0.32 0.08 -0.74 -0.53 0.00 0.00 176.83 174.94 1bd2 h HIS 140 N -0.70 0.98 0.00 2.24 -0.00 0.40 -3.36 115.15 114.71 1bd2 h HIS 140 Ca -0.06 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.18 1bd2 h HIS 140 Cb 0.52 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1bd2 h HIS 140 CO -0.03 0.85 -0.97 0.25 -0.00 0.00 0.00 177.93 178.04 1bd2 n THR 141 N -4.23 0.00 -1.03 6.26 -2.24 0.11 -5.02 114.28 108.14 1bd2 n THR 141 Ca 0.04 -0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 61.70 1bd2 n THR 141 Cb 0.28 0.52 -0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1bd2 n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bd2 n GLN 142 N -1.51 -0.15 -4.35 -0.78 3.00 -0.30 -5.03 117.38 108.25 1bd2 n GLN 142 Ca -0.00 0.31 -0.20 0.00 -0.01 0.00 0.00 57.00 57.09 1bd2 n GLN 142 Cb 0.06 -3.67 -0.10 0.00 0.00 0.00 0.00 30.24 26.52 1bd2 n GLN 142 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1bd2 s LYS 143 N -1.19 1.35 -0.09 -1.09 1.02 -1.26 -0.96 119.74 117.52 1bd2 s LYS 143 Ca 0.00 -1.53 0.00 0.00 0.02 0.00 0.00 55.97 54.46 1bd2 s LYS 143 Cb 0.00 -1.28 0.02 0.00 -0.52 0.00 0.00 37.83 36.05 1bd2 s LYS 143 CO 0.00 0.24 -0.08 0.00 -0.92 0.00 0.00 175.35 174.58 1bd2 s ALA 144 N -2.54 1.22 -0.27 5.17 0.00 0.12 -3.42 121.76 122.04 1bd2 s ALA 144 Ca 0.21 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 1bd2 s ALA 144 Cb -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1bd2 s ALA 144 CO 0.08 -0.23 0.05 0.99 0.00 0.00 0.00 175.76 176.64 1bd2 s THR 145 N 1.35 3.82 0.12 0.00 2.01 -1.26 -1.07 115.64 120.61 1bd2 s THR 145 Ca -0.02 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 1bd2 s THR 145 Cb -0.14 -2.91 -0.06 0.00 0.01 0.00 0.00 72.50 69.41 1bd2 s THR 145 CO -0.04 0.18 0.44 -0.76 -0.69 0.00 0.00 174.62 173.75 1bd2 s LEU 146 N 1.50 4.31 -0.08 4.42 1.02 0.22 -3.59 118.68 126.47 1bd2 s LEU 146 Ca 0.03 0.82 0.01 0.00 0.02 0.00 0.00 54.13 55.01 1bd2 s LEU 146 Cb -0.16 -3.18 0.02 0.00 0.02 0.00 0.00 46.19 42.89 1bd2 s LEU 146 CO 0.01 0.11 -0.09 0.54 0.02 0.00 0.00 176.35 176.94 1bd2 s VAL 147 N -1.51 0.95 0.12 -1.59 0.11 -1.00 -1.62 120.40 115.87 1bd2 s VAL 147 Ca 0.37 -0.32 -0.10 0.00 -2.93 0.00 0.00 61.98 59.01 1bd2 s VAL 147 Cb -0.13 -0.93 -0.06 0.00 -1.53 0.00 0.00 36.38 33.73 1bd2 s VAL 147 CO 0.20 0.33 0.44 0.00 -3.33 0.00 0.00 175.10 172.73 1bd2 s LEU 149 N -2.18 0.37 -0.22 0.00 2.96 0.06 -2.20 118.68 117.48 1bd2 s LEU 149 Ca 0.37 -0.79 -0.12 0.00 -0.22 0.00 0.00 54.13 53.37 1bd2 s LEU 149 Cb -0.13 -0.23 -0.05 0.00 0.50 0.00 0.00 46.19 46.28 1bd2 s LEU 149 CO 0.20 -0.38 0.21 0.00 -1.32 0.00 0.00 176.35 175.06 1bd2 s ALA 150 N 2.14 3.62 0.15 5.97 0.00 0.51 -1.07 121.76 133.08 1bd2 s ALA 150 Ca 0.04 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 1bd2 s ALA 150 Cb -0.16 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1bd2 s ALA 150 CO -0.18 -0.10 0.13 0.95 0.00 0.00 0.00 175.76 176.56 1bd2 s THR 151 N 0.87 0.07 0.00 0.00 -4.23 -1.06 -0.06 115.64 111.23 1bd2 s THR 151 Ca 0.10 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1bd2 s THR 151 Cb -0.13 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.62 1bd2 s THR 151 CO 0.03 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1bd2 n GLY 152 N -0.16 2.61 3.80 3.99 0.00 -0.82 -0.02 105.19 114.59 1bd2 n GLY 152 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1bd2 n GLY 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bd2 s PHE 153 N -3.19 3.10 -0.27 1.61 -0.71 -1.18 -4.62 117.98 112.71 1bd2 s PHE 153 Ca 0.00 1.60 -0.14 0.00 -1.04 0.00 0.00 56.93 57.34 1bd2 s PHE 153 Cb 0.00 -3.05 0.09 0.00 -1.21 0.00 0.00 43.02 38.84 1bd2 s PHE 153 CO 0.00 -0.69 0.66 -0.47 -1.34 0.00 0.00 175.22 173.37 1bd2 s TYR 154 N -1.93 -1.07 0.83 3.49 5.04 -0.76 0.77 117.35 123.72 1bd2 s TYR 154 Ca 0.65 2.09 -0.11 0.00 -2.44 0.00 0.00 57.07 57.25 1bd2 s TYR 154 Cb -0.17 0.63 0.09 0.00 0.35 0.00 0.00 41.96 42.86 1bd2 s TYR 154 CO 0.21 -0.53 1.09 -1.25 -1.34 0.00 0.00 175.55 173.72 1bd2 s PRO 155 N 1.82 1.79 0.00 4.97 0.04 -1.26 0.53 135.00 142.89 1bd2 s PRO 155 Ca -0.09 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1bd2 s PRO 155 Cb -0.06 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1bd2 s PRO 155 CO -0.19 -1.87 0.25 -0.40 0.04 0.00 0.00 177.00 174.83 1bd2 n ASP 156 N -3.63 0.23 -4.56 6.66 5.75 -1.26 -4.71 116.55 115.03 1bd2 n ASP 156 Ca 0.07 -0.74 -0.32 0.00 -0.01 0.00 0.00 54.79 53.80 1bd2 n ASP 156 Cb 0.55 -0.12 -0.04 0.00 -1.03 0.00 0.00 41.12 40.48 1bd2 n ASP 156 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1bd2 s HIS 157 N -1.37 2.08 0.03 2.11 3.76 -1.26 -4.91 115.29 115.73 1bd2 s HIS 157 Ca 0.00 0.07 -0.01 0.00 -0.15 0.00 0.00 55.06 54.97 1bd2 s HIS 157 Cb 0.00 -4.26 -0.03 0.00 1.11 0.00 0.00 32.58 29.41 1bd2 s HIS 157 CO 0.00 -1.72 -0.01 0.14 -0.85 0.00 0.00 174.74 172.29 1bd2 s VAL 158 N 8.49 0.15 -0.25 -0.90 -7.23 -1.26 -2.64 120.40 116.76 1bd2 s VAL 158 Ca 0.62 -1.21 -0.01 0.00 -1.81 0.00 0.00 61.98 59.57 1bd2 s VAL 158 Cb -0.03 -0.73 0.07 0.00 0.56 0.00 0.00 36.38 36.25 1bd2 s VAL 158 CO -0.01 -0.67 0.04 -1.61 -0.31 0.00 0.00 175.10 172.54 1bd2 s GLU 159 N -2.35 0.91 -0.22 4.82 2.02 -0.79 -4.97 118.70 118.12 1bd2 s GLU 159 Ca -0.08 -0.81 -0.10 0.00 0.02 0.00 0.00 54.97 54.01 1bd2 s GLU 159 Cb -0.03 -2.20 -0.05 0.00 0.10 0.00 0.00 34.13 31.95 1bd2 s GLU 159 CO -0.04 -0.76 0.13 -1.17 0.02 0.00 0.00 175.26 173.44 1bd2 s LEU 160 N 1.65 4.10 0.07 1.80 0.20 -1.26 -0.10 118.68 125.14 1bd2 s LEU 160 Ca 0.02 0.15 0.04 0.00 0.69 0.00 0.00 54.13 55.03 1bd2 s LEU 160 Cb -0.18 -2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 43.48 1bd2 s LEU 160 CO -0.14 0.12 -0.12 -0.94 -0.29 0.00 0.00 176.35 174.98 1bd2 s SER 161 N 0.70 1.50 -0.11 3.68 1.04 0.45 -4.99 113.70 115.98 1bd2 s SER 161 Ca 0.07 -0.63 -0.03 0.00 0.48 0.00 0.00 55.95 55.84 1bd2 s SER 161 Cb -0.12 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.93 1bd2 s SER 161 CO 0.01 -0.12 0.03 0.26 0.98 0.00 0.00 173.24 174.40 1bd2 s TRP 162 N -1.44 3.24 -0.07 5.02 0.52 -1.26 -0.65 118.94 124.29 1bd2 s TRP 162 Ca -0.02 0.21 0.00 0.00 0.02 0.00 0.00 56.10 56.31 1bd2 s TRP 162 Cb -0.09 -1.85 0.02 0.00 -1.15 0.00 0.00 33.47 30.40 1bd2 s TRP 162 CO 0.02 0.46 -0.05 -1.58 0.02 0.00 0.00 176.95 175.81 1bd2 s TRP 163 N -0.71 0.99 -0.12 -1.98 0.52 -0.16 -0.83 118.94 116.65 1bd2 s TRP 163 Ca 0.12 -0.35 0.02 0.00 0.02 0.00 0.00 56.10 55.90 1bd2 s TRP 163 Cb -0.12 -0.87 -0.01 0.00 -1.15 0.00 0.00 33.47 31.32 1bd2 s TRP 163 CO 0.02 -0.30 -0.17 0.08 0.02 0.00 0.00 176.95 176.60 1bd2 s VAL 164 N 1.28 2.66 -1.49 4.03 1.01 -0.27 -0.34 120.40 127.27 1bd2 s VAL 164 Ca -0.05 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 1bd2 s VAL 164 Cb -0.14 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.23 1bd2 s VAL 164 CO -0.02 0.54 1.02 0.59 0.00 0.00 0.00 175.10 177.23 1bd2 n ASN 165 N 3.50 -5.01 0.00 3.32 3.02 0.06 -1.62 115.26 118.53 1bd2 n ASN 165 Ca -0.18 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1bd2 n ASN 165 Cb 0.53 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 1bd2 n ASN 165 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bd2 n GLY 166 N -1.75 2.27 3.66 7.41 0.00 -1.26 -4.98 105.19 110.53 1bd2 n GLY 166 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1bd2 n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bd2 s LYS 167 N 0.00 3.29 0.67 1.61 1.02 -0.64 -5.04 119.74 120.65 1bd2 s LYS 167 Ca 0.00 -0.40 -0.17 0.00 0.02 0.00 0.00 55.97 55.42 1bd2 s LYS 167 Cb 0.00 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 1bd2 s LYS 167 CO 0.00 0.56 1.27 -2.00 -0.92 0.00 0.00 175.35 174.26 1bd2 s GLU 168 N -0.48 2.45 0.04 1.68 2.12 -1.26 -1.12 118.70 122.14 1bd2 s GLU 168 Ca 0.09 1.99 0.06 0.00 0.36 0.00 0.00 54.97 57.47 1bd2 s GLU 168 Cb -0.12 -1.84 -0.02 0.00 0.26 0.00 0.00 34.13 32.40 1bd2 s GLU 168 CO 0.02 -1.65 -0.17 0.08 -0.54 0.00 0.00 175.26 173.00 1bd2 s VAL 169 N -1.54 1.39 0.00 3.70 1.01 -0.01 -4.79 120.40 120.16 1bd2 s VAL 169 Ca 0.80 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1bd2 s VAL 169 Cb -0.35 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1bd2 s VAL 169 CO 0.41 0.09 0.00 1.41 0.00 0.00 0.00 175.10 177.01 1bd2 n HIS 170 N 1.83 0.00 -1.94 5.22 8.25 -1.26 -4.40 115.22 122.93 1bd2 n HIS 170 Ca -0.18 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.94 1bd2 n HIS 170 Cb 0.54 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.68 1bd2 n HIS 170 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1bd2 s SER 171 N -3.03 5.29 0.00 0.41 0.15 -1.26 -3.15 113.70 112.11 1bd2 s SER 171 Ca 0.00 2.10 0.00 0.00 0.70 0.00 0.00 55.95 58.75 1bd2 s SER 171 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1bd2 s SER 171 CO 0.00 -1.51 0.00 0.61 1.20 0.00 0.00 173.24 173.54 1bd2 n GLY 172 N -0.19 1.23 3.88 9.45 0.00 -1.26 -4.79 105.19 113.51 1bd2 n GLY 172 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1bd2 n GLY 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bd2 s VAL 173 N -1.72 5.04 -0.10 1.61 0.11 -1.19 -1.10 120.40 123.05 1bd2 s VAL 173 Ca 0.00 0.33 -0.04 0.00 -2.93 0.00 0.00 61.98 59.34 1bd2 s VAL 173 Cb 0.00 -3.63 0.05 0.00 -1.53 0.00 0.00 36.38 31.27 1bd2 s VAL 173 CO 0.00 0.05 0.22 -0.55 -3.33 0.00 0.00 175.10 171.49 1bd2 s SER 174 N -2.24 0.08 -0.03 3.54 0.15 -0.17 -4.97 113.70 110.05 1bd2 s SER 174 Ca 0.42 0.47 0.01 0.00 0.70 0.00 0.00 55.95 57.54 1bd2 s SER 174 Cb -0.12 0.42 0.02 0.00 -1.71 0.00 0.00 66.02 64.63 1bd2 s SER 174 CO 0.22 -0.19 -0.01 0.28 1.20 0.00 0.00 173.24 174.73 1bd2 s THR 175 N 1.69 0.24 0.05 6.45 -1.32 -1.26 0.72 115.64 122.22 1bd2 s THR 175 Ca -0.05 0.02 -0.37 0.00 -1.21 0.00 0.00 61.69 60.09 1bd2 s THR 175 Cb -0.11 -0.31 -0.19 0.00 -1.51 0.00 0.00 72.50 70.38 1bd2 s THR 175 CO -0.08 0.15 0.98 0.47 -2.21 0.00 0.00 174.62 173.93 1bd2 n ASP 176 N 3.98 -0.12 0.22 8.08 8.00 -1.13 -4.85 116.55 130.73 1bd2 n ASP 176 Ca -0.25 1.15 0.07 0.00 0.71 0.00 0.00 54.79 56.46 1bd2 n ASP 176 Cb 0.51 -0.95 0.52 0.00 -0.02 0.00 0.00 41.12 41.19 1bd2 n ASP 176 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1bd2 h PRO 177 N 2.68 0.00 -2.97 -0.24 0.11 -1.99 -3.43 132.00 126.16 1bd2 h PRO 177 Ca -0.46 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 1bd2 h PRO 177 Cb 1.42 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.28 1bd2 h PRO 177 CO 0.64 0.21 -0.36 1.14 -0.21 0.00 0.00 178.00 179.42 1bd2 s GLN 178 N -4.42 0.35 0.53 1.05 1.03 -1.26 -5.16 119.66 111.79 1bd2 s GLN 178 Ca -0.03 0.45 -0.21 0.00 0.04 0.00 0.00 55.36 55.62 1bd2 s GLN 178 Cb 0.15 0.15 -0.06 0.00 0.03 0.00 0.00 33.01 33.28 1bd2 s GLN 178 CO 0.68 -0.06 1.18 -2.14 -2.54 0.00 0.00 175.29 172.41 1bd2 s PRO 179 N 0.29 3.35 -0.15 9.60 0.02 -1.26 -5.02 135.00 141.83 1bd2 s PRO 179 Ca -0.01 1.78 -0.10 0.00 0.02 0.00 0.00 61.00 62.69 1bd2 s PRO 179 Cb -0.03 -2.13 -0.05 0.00 0.02 0.00 0.00 34.50 32.31 1bd2 s PRO 179 CO -0.01 -0.89 0.18 -0.48 -0.33 0.00 0.00 177.00 175.47 1bd2 s LEU 180 N -3.61 4.29 0.18 -5.54 2.34 -0.59 -4.86 118.68 110.89 1bd2 s LEU 180 Ca 0.71 0.40 -0.31 0.00 0.06 0.00 0.00 54.13 55.00 1bd2 s LEU 180 Cb -0.29 -2.17 -0.09 0.00 -0.56 0.00 0.00 46.19 43.09 1bd2 s LEU 180 CO 0.33 0.25 1.39 -1.59 -1.06 0.00 0.00 176.35 175.66 1bd2 s LYS 181 N -0.14 4.32 -0.01 1.48 0.00 -1.26 -1.31 119.74 122.81 1bd2 s LYS 181 Ca 0.13 2.15 0.21 0.00 0.00 0.00 0.00 55.97 58.45 1bd2 s LYS 181 Cb -0.12 -3.19 0.61 0.00 0.00 0.00 0.00 37.83 35.14 1bd2 s LYS 181 CO 0.02 -0.38 1.51 -0.85 0.00 0.00 0.00 175.35 175.66 1bd2 n GLU 182 N 3.06 2.72 -2.77 1.78 0.28 0.10 -4.46 120.64 121.36 1bd2 n GLU 182 Ca 0.09 -2.49 -0.07 0.00 -0.16 0.00 0.00 57.16 54.52 1bd2 n GLU 182 Cb 0.42 -1.58 0.04 0.00 1.43 0.00 0.00 31.44 31.75 1bd2 n GLU 182 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1bd2 n GLN 183 N 1.45 0.71 -0.14 3.44 1.13 -1.26 -4.95 117.38 117.75 1bd2 n GLN 183 Ca 0.23 -1.85 0.28 0.00 -1.94 0.00 0.00 57.00 53.72 1bd2 n GLN 183 Cb 0.61 -1.47 0.71 0.00 0.11 0.00 0.00 30.24 30.20 1bd2 n GLN 183 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1bd2 h PRO 184 N 4.28 0.00 0.00 -1.09 0.11 -1.95 -1.10 132.00 132.24 1bd2 h PRO 184 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1bd2 h PRO 184 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1bd2 h PRO 184 CO 0.25 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.04 1bd2 h ALA 185 N 1.34 1.00 -2.66 -0.75 0.00 -1.98 -3.45 119.26 112.76 1bd2 h ALA 185 Ca 0.41 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.66 1bd2 h ALA 185 Cb 1.86 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.59 1bd2 h ALA 185 CO -0.00 0.00 -0.41 -0.51 0.00 0.00 0.00 179.25 178.33 1bd2 s LEU 186 N -5.06 4.41 0.01 0.00 1.43 -0.42 -5.00 118.68 114.05 1bd2 s LEU 186 Ca 0.08 0.59 -0.26 0.00 -1.03 0.00 0.00 54.13 53.50 1bd2 s LEU 186 Cb 0.10 -2.24 -0.15 0.00 0.03 0.00 0.00 46.19 43.93 1bd2 s LEU 186 CO 0.57 0.38 1.13 0.78 0.23 0.00 0.00 176.35 179.44 1bd2 h ASN 187 N 4.83 -0.73 -1.70 2.29 4.21 -1.88 -3.30 115.58 119.30 1bd2 h ASN 187 Ca -0.54 -0.01 -0.69 0.00 1.21 0.00 0.00 56.30 56.28 1bd2 h ASN 187 Cb 1.22 0.19 -0.14 0.00 -1.12 0.00 0.00 38.32 38.47 1bd2 h ASN 187 CO 0.60 -0.35 1.51 -1.81 -1.29 0.00 0.00 177.43 176.08 1bd2 s ASP 188 N -4.57 6.84 0.16 5.81 -0.00 -1.26 -4.96 116.67 118.69 1bd2 s ASP 188 Ca -0.14 -2.43 0.04 0.00 -0.00 0.00 0.00 52.55 50.02 1bd2 s ASP 188 Cb 0.02 -2.47 -0.04 0.00 -0.00 0.00 0.00 42.92 40.42 1bd2 s ASP 188 CO 0.44 -1.04 0.19 -0.55 -0.00 0.00 0.00 175.17 174.22 1bd2 s SER 189 N 3.69 5.82 0.23 0.27 0.15 -1.24 -5.08 113.70 117.53 1bd2 s SER 189 Ca 0.44 -0.03 -0.05 0.00 0.70 0.00 0.00 55.95 57.02 1bd2 s SER 189 Cb -0.01 -1.61 -0.05 0.00 -1.71 0.00 0.00 66.02 62.64 1bd2 s SER 189 CO -0.01 0.06 0.48 0.00 1.20 0.00 0.00 173.24 174.96 1bd2 s ARG 190 N -3.19 3.63 0.31 5.44 3.03 -1.26 -4.72 118.95 122.18 1bd2 s ARG 190 Ca 0.32 -0.06 0.09 0.00 2.03 0.00 0.00 55.73 58.12 1bd2 s ARG 190 Cb -0.10 -2.73 -0.05 0.00 -1.03 0.00 0.00 34.95 31.04 1bd2 s ARG 190 CO 0.25 0.32 0.04 0.71 -1.13 0.00 0.00 175.30 175.50 1bd2 s TYR 191 N -1.91 2.65 0.03 5.89 2.02 0.23 0.02 117.35 126.28 1bd2 s TYR 191 Ca 0.43 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.80 1bd2 s TYR 191 Cb -0.11 -1.40 -0.02 0.00 -0.40 0.00 0.00 41.96 40.02 1bd2 s TYR 191 CO 0.27 0.50 -0.05 0.00 -1.57 0.00 0.00 175.55 174.71 1bd2 s ALA 192 N -2.41 0.33 -0.10 3.71 0.00 -0.43 -1.94 121.76 120.92 1bd2 s ALA 192 Ca 0.34 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.50 1bd2 s ALA 192 Cb -0.04 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.23 1bd2 s ALA 192 CO 0.20 -0.13 0.26 -1.17 0.00 0.00 0.00 175.76 174.93 1bd2 s LEU 193 N -1.65 1.01 0.21 0.00 2.96 0.91 -1.53 118.68 120.58 1bd2 s LEU 193 Ca -0.12 0.52 0.07 0.00 -0.22 0.00 0.00 54.13 54.38 1bd2 s LEU 193 Cb -0.08 0.89 -0.05 0.00 0.50 0.00 0.00 46.19 47.45 1bd2 s LEU 193 CO -0.01 -0.09 -0.12 -0.94 -1.32 0.00 0.00 176.35 173.87 1bd2 s SER 194 N 0.13 2.42 0.09 3.68 1.04 -1.26 -0.36 113.70 119.43 1bd2 s SER 194 Ca -0.00 -1.05 -0.21 0.00 0.48 0.00 0.00 55.95 55.17 1bd2 s SER 194 Cb -0.02 -0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.04 1bd2 s SER 194 CO 0.00 -0.24 0.50 -0.55 0.98 0.00 0.00 173.24 173.94 1bd2 s SER 195 N -3.31 -0.41 0.11 7.02 0.15 -0.93 -2.84 113.70 113.48 1bd2 s SER 195 Ca 0.23 0.00 0.08 0.00 0.70 0.00 0.00 55.95 56.96 1bd2 s SER 195 Cb 0.01 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.79 1bd2 s SER 195 CO 0.07 -0.81 -0.21 -0.13 1.20 0.00 0.00 173.24 173.36 1bd2 s ARG 196 N -3.08 1.14 -0.14 5.44 3.00 0.22 -1.10 118.95 124.42 1bd2 s ARG 196 Ca -0.02 -1.18 -0.04 0.00 0.00 0.00 0.00 55.73 54.49 1bd2 s ARG 196 Cb -0.00 -1.39 0.05 0.00 0.00 0.00 0.00 34.95 33.61 1bd2 s ARG 196 CO -0.07 0.32 0.07 -1.17 0.00 0.00 0.00 175.30 174.45 1bd2 s LEU 197 N -1.96 0.44 -0.15 2.53 2.96 -0.64 -1.00 118.68 120.87 1bd2 s LEU 197 Ca 0.07 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.47 1bd2 s LEU 197 Cb -0.10 -0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.27 1bd2 s LEU 197 CO 0.04 -0.31 0.01 -0.60 -1.32 0.00 0.00 176.35 174.18 1bd2 s ARG 198 N 2.09 3.61 0.30 1.98 6.06 -0.26 -0.61 118.95 132.12 1bd2 s ARG 198 Ca 0.02 -0.42 0.03 0.00 -2.50 0.00 0.00 55.73 52.87 1bd2 s ARG 198 Cb -0.15 -3.00 -0.04 0.00 0.06 0.00 0.00 34.95 31.82 1bd2 s ARG 198 CO -0.07 0.39 0.15 0.14 -2.50 0.00 0.00 175.30 173.40 1bd2 s VAL 199 N 0.01 0.36 0.63 7.11 -7.23 -0.23 -4.53 120.40 116.52 1bd2 s VAL 199 Ca 0.03 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.09 1bd2 s VAL 199 Cb -0.13 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 1bd2 s VAL 199 CO 0.02 0.00 1.03 -0.94 -0.31 0.00 0.00 175.10 174.90 1bd2 s SER 200 N -3.38 6.03 0.19 4.85 1.04 -1.26 0.11 113.70 121.28 1bd2 s SER 200 Ca 0.35 1.51 -0.12 0.00 0.48 0.00 0.00 55.95 58.17 1bd2 s SER 200 Cb 0.05 -2.48 0.11 0.00 0.10 0.00 0.00 66.02 63.79 1bd2 s SER 200 CO 0.17 -1.00 1.84 0.00 0.98 0.00 0.00 173.24 175.23 1bd2 h ALA 201 N -0.26 0.81 -0.71 5.32 0.00 -1.30 -2.07 119.26 121.05 1bd2 h ALA 201 Ca -0.44 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 54.56 1bd2 h ALA 201 Cb 1.20 -0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.62 1bd2 h ALA 201 CO 0.60 0.27 0.09 1.15 0.00 0.00 0.00 179.25 181.36 1bd2 h THR 202 N 0.86 0.46 -0.33 0.00 2.02 -1.93 0.88 112.91 114.89 1bd2 h THR 202 Ca 0.23 -0.06 -0.12 0.00 0.77 0.00 0.00 66.41 67.23 1bd2 h THR 202 Cb -0.06 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1bd2 h THR 202 CO -0.05 0.03 -0.28 0.15 0.37 0.00 0.00 175.52 175.75 1bd2 h PHE 203 N 0.18 0.77 -0.05 3.16 3.04 -1.76 -3.10 116.94 119.18 1bd2 h PHE 203 Ca 0.39 -0.19 -0.22 0.00 3.98 0.00 0.00 57.97 61.93 1bd2 h PHE 203 Cb 0.66 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.00 1bd2 h PHE 203 CO -0.33 0.88 -0.87 2.35 -2.02 0.00 0.00 178.31 178.33 1bd2 h TRP 204 N 0.58 0.71 0.00 0.41 2.91 -0.78 -3.16 115.95 116.61 1bd2 h TRP 204 Ca 0.07 -0.35 0.00 0.00 1.13 0.00 0.00 58.89 59.74 1bd2 h TRP 204 Cb 0.78 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.33 1bd2 h TRP 204 CO 0.04 1.16 0.00 1.04 -1.03 0.00 0.00 178.44 179.64 1bd2 n GLN 205 N -3.81 0.69 -3.37 2.65 6.02 0.20 -2.29 117.38 117.48 1bd2 n GLN 205 Ca -0.07 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.48 1bd2 n GLN 205 Cb 0.79 -1.36 -0.08 0.00 1.02 0.00 0.00 30.24 30.61 1bd2 n GLN 205 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1bd2 s ASP 206 N -1.81 6.15 0.29 1.08 -1.08 -1.20 -4.51 116.67 115.61 1bd2 s ASP 206 Ca 0.24 -1.20 0.14 0.00 -0.52 0.00 0.00 52.55 51.21 1bd2 s ASP 206 Cb 0.11 -2.20 0.75 0.00 -1.46 0.00 0.00 42.92 40.13 1bd2 s ASP 206 CO 0.18 -0.65 1.34 -2.65 0.52 0.00 0.00 175.17 173.91 1bd2 n PRO 207 N 5.33 0.09 0.23 4.34 -0.02 -1.16 -0.93 135.00 142.89 1bd2 n PRO 207 Ca -0.11 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.06 1bd2 n PRO 207 Cb 0.44 -2.02 0.43 0.00 -0.02 0.00 0.00 33.50 32.34 1bd2 n PRO 207 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bd2 h ARG 208 N 0.00 0.00 -5.85 -0.52 3.08 -1.92 -3.39 114.38 105.77 1bd2 h ARG 208 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1bd2 h ARG 208 Cb 0.43 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.41 1bd2 h ARG 208 CO 0.00 0.11 -0.06 -0.80 -1.07 0.00 0.00 179.97 178.15 1bd2 s ASN 209 N -6.04 6.80 -0.11 7.04 0.01 -0.11 -4.94 114.94 117.59 1bd2 s ASN 209 Ca 0.03 0.95 0.02 0.00 -0.71 0.00 0.00 52.86 53.15 1bd2 s ASN 209 Cb 0.08 -2.33 -0.01 0.00 0.41 0.00 0.00 41.25 39.41 1bd2 s ASN 209 CO 0.62 -0.02 -0.19 -2.28 -1.51 0.00 0.00 177.10 173.71 1bd2 s HIS 210 N 0.60 2.67 -0.06 2.20 5.65 -1.26 -0.88 115.29 124.21 1bd2 s HIS 210 Ca 0.30 -0.88 0.03 0.00 0.25 0.00 0.00 55.06 54.76 1bd2 s HIS 210 Cb -0.16 -1.77 -0.02 0.00 -1.18 0.00 0.00 32.58 29.45 1bd2 s HIS 210 CO 0.13 -0.33 -0.15 -0.06 -0.65 0.00 0.00 174.74 173.68 1bd2 s PHE 211 N 0.35 2.71 -0.07 3.88 0.40 -0.21 -0.76 117.98 124.27 1bd2 s PHE 211 Ca -0.16 -0.26 -0.03 0.00 -0.60 0.00 0.00 56.93 55.89 1bd2 s PHE 211 Cb -0.17 -1.66 0.04 0.00 0.51 0.00 0.00 43.02 41.74 1bd2 s PHE 211 CO 0.08 0.11 0.13 0.50 0.70 0.00 0.00 175.22 176.73 1bd2 s ARG 212 N -0.53 0.01 -0.24 0.44 3.52 0.54 -0.69 118.95 122.00 1bd2 s ARG 212 Ca 0.07 0.50 -0.19 0.00 -0.13 0.00 0.00 55.73 55.99 1bd2 s ARG 212 Cb -0.12 -0.33 -0.03 0.00 -1.56 0.00 0.00 34.95 32.92 1bd2 s ARG 212 CO 0.01 -0.30 0.54 0.00 -0.81 0.00 0.00 175.30 174.74 1bd2 s GLN 214 N 2.12 2.44 -0.09 0.00 0.74 0.17 -1.65 119.66 123.39 1bd2 s GLN 214 Ca 0.23 -0.73 -0.01 0.00 0.05 0.00 0.00 55.36 54.90 1bd2 s GLN 214 Cb -0.16 -2.33 0.03 0.00 1.10 0.00 0.00 33.01 31.65 1bd2 s GLN 214 CO 0.09 0.61 -0.03 0.08 -0.55 0.00 0.00 175.29 175.49 1bd2 s VAL 215 N -0.73 0.64 -0.21 1.34 1.01 -0.79 -0.41 120.40 121.25 1bd2 s VAL 215 Ca 0.12 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.91 1bd2 s VAL 215 Cb -0.11 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1bd2 s VAL 215 CO 0.01 0.30 0.29 -1.58 0.00 0.00 0.00 175.10 174.12 1bd2 s GLN 216 N 1.81 4.14 -0.13 2.72 0.74 0.86 -1.37 119.66 128.43 1bd2 s GLN 216 Ca 0.04 0.00 -0.06 0.00 0.05 0.00 0.00 55.36 55.39 1bd2 s GLN 216 Cb -0.12 -3.53 -0.04 0.00 1.10 0.00 0.00 33.01 30.42 1bd2 s GLN 216 CO -0.06 0.02 0.08 0.12 -0.55 0.00 0.00 175.29 174.90 1bd2 s PHE 217 N 1.15 3.40 -0.29 1.67 5.36 0.47 -1.88 117.98 127.86 1bd2 s PHE 217 Ca 0.14 0.33 -0.04 0.00 -0.96 0.00 0.00 56.93 56.40 1bd2 s PHE 217 Cb -0.14 -1.94 0.03 0.00 -0.34 0.00 0.00 43.02 40.63 1bd2 s PHE 217 CO 0.06 0.52 0.03 0.71 -1.46 0.00 0.00 175.22 175.08 1bd2 s TYR 218 N -0.64 3.16 0.00 10.12 1.51 -1.08 -1.84 117.35 128.58 1bd2 s TYR 218 Ca 0.12 -1.39 0.00 0.00 -1.01 0.00 0.00 57.07 54.79 1bd2 s TYR 218 Cb -0.12 -2.17 0.00 0.00 -0.11 0.00 0.00 41.96 39.56 1bd2 s TYR 218 CO 0.02 -0.69 0.00 0.41 -1.11 0.00 0.00 175.55 174.18 1bd2 n GLY 219 N 4.75 4.30 3.80 0.71 0.00 -1.26 -4.77 105.19 112.72 1bd2 n GLY 219 Ca -0.14 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 1bd2 n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bd2 s LEU 220 N 0.00 3.15 0.54 0.99 1.43 -0.97 -4.46 118.68 119.36 1bd2 s LEU 220 Ca 0.00 1.71 0.06 0.00 -1.03 0.00 0.00 54.13 54.87 1bd2 s LEU 220 Cb 0.00 -4.51 0.06 0.00 0.03 0.00 0.00 46.19 41.77 1bd2 s LEU 220 CO 0.00 -1.59 0.75 -0.94 0.23 0.00 0.00 176.35 174.80 1bd2 s SER 221 N -3.54 5.19 0.00 2.29 1.04 -1.26 -2.67 113.70 114.75 1bd2 s SER 221 Ca 0.60 -0.47 0.15 0.00 0.48 0.00 0.00 55.95 56.71 1bd2 s SER 221 Cb -0.15 -0.29 0.80 0.00 0.10 0.00 0.00 66.02 66.48 1bd2 s SER 221 CO 0.53 -1.20 1.39 -1.84 0.98 0.00 0.00 173.24 173.10 1bd2 n GLU 222 N -2.24 0.28 -0.00 4.02 0.00 -1.26 -2.35 120.64 119.10 1bd2 n GLU 222 Ca 0.12 0.11 0.01 0.00 0.00 0.00 0.00 57.16 57.40 1bd2 n GLU 222 Cb 0.60 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.52 1bd2 n GLU 222 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1bd2 n ASN 223 N -1.21 4.07 -4.77 -1.84 0.23 -1.26 -5.03 115.26 105.45 1bd2 n ASN 223 Ca 0.08 -0.04 -0.41 0.00 -0.53 0.00 0.00 54.58 53.68 1bd2 n ASN 223 Cb 0.10 1.11 -0.00 0.00 -2.08 0.00 0.00 39.78 38.90 1bd2 n ASN 223 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1bd2 n ASP 224 N -1.55 3.87 -4.75 0.53 8.00 -0.99 -4.94 116.55 116.72 1bd2 n ASP 224 Ca -0.00 1.20 -0.40 0.00 0.71 0.00 0.00 54.79 56.30 1bd2 n ASP 224 Cb 0.06 -1.62 -0.05 0.00 -0.02 0.00 0.00 41.12 39.49 1bd2 n ASP 224 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1bd2 s GLU 225 N -1.59 4.75 -0.29 -1.24 -1.05 -1.26 -4.85 118.70 113.16 1bd2 s GLU 225 Ca 0.57 1.64 0.01 0.00 -0.15 0.00 0.00 54.97 57.04 1bd2 s GLU 225 Cb -0.48 -3.24 0.15 0.00 -0.44 0.00 0.00 34.13 30.13 1bd2 s GLU 225 CO 0.59 0.36 0.37 -0.46 0.95 0.00 0.00 175.26 177.07 1bd2 s TRP 226 N -1.12 -0.84 -0.49 4.83 -0.11 -1.26 -5.02 118.94 114.93 1bd2 s TRP 226 Ca 0.43 0.18 0.03 0.00 1.22 0.00 0.00 56.10 57.96 1bd2 s TRP 226 Cb -0.29 -0.25 0.61 0.00 -1.50 0.00 0.00 33.47 32.05 1bd2 s TRP 226 CO 0.36 -0.96 1.91 0.25 -4.62 0.00 0.00 176.95 173.89 1bd2 n THR 227 N 5.34 3.25 -4.22 5.86 -2.24 -1.26 -4.99 114.28 116.02 1bd2 n THR 227 Ca -0.00 -2.22 -0.24 0.00 -2.27 0.00 0.00 64.05 59.32 1bd2 n THR 227 Cb 0.48 -0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 68.03 1bd2 n THR 227 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1bd2 s GLN 228 N -3.42 2.50 0.52 -0.78 1.11 -1.26 -5.04 119.66 113.29 1bd2 s GLN 228 Ca 0.58 -1.24 0.30 0.00 0.01 0.00 0.00 55.36 55.01 1bd2 s GLN 228 Cb 0.48 -2.32 1.35 0.00 -1.01 0.00 0.00 33.01 31.51 1bd2 s GLN 228 CO 0.08 0.40 1.99 -0.44 0.01 0.00 0.00 175.29 177.33 1bd2 h ASP 229 N 1.99 0.00 -3.50 5.90 3.45 -2.07 -3.45 116.42 118.75 1bd2 h ASP 229 Ca -0.46 0.00 -0.46 0.00 0.43 0.00 0.00 57.03 56.53 1bd2 h ASP 229 Cb 1.23 0.00 0.06 0.00 -0.56 0.00 0.00 39.33 40.06 1bd2 h ASP 229 CO 0.60 0.10 0.15 0.00 -1.57 0.00 0.00 179.24 178.52 1bd2 s ARG 230 N -3.85 2.69 0.23 3.56 1.70 -1.26 -5.01 118.95 117.01 1bd2 s ARG 230 Ca -0.01 -0.19 -0.30 0.00 -0.47 0.00 0.00 55.73 54.76 1bd2 s ARG 230 Cb 0.11 -2.29 -0.10 0.00 -0.57 0.00 0.00 34.95 32.10 1bd2 s ARG 230 CO 0.57 -0.82 1.45 0.00 -1.08 0.00 0.00 175.30 175.42 1bd2 s ALA 231 N -3.01 3.64 0.03 7.88 0.00 -1.26 -4.91 121.76 124.14 1bd2 s ALA 231 Ca 0.56 1.31 -0.35 0.00 0.00 0.00 0.00 51.96 53.47 1bd2 s ALA 231 Cb -0.11 -3.56 -0.14 0.00 0.00 0.00 0.00 23.12 19.31 1bd2 s ALA 231 CO 0.44 -0.73 1.61 1.17 0.00 0.00 0.00 175.76 178.24 1bd2 n LYS 232 N 2.66 1.78 -0.61 0.00 4.81 -1.26 -4.80 118.16 120.74 1bd2 n LYS 232 Ca 0.08 0.65 -0.07 0.00 -0.87 0.00 0.00 58.31 58.10 1bd2 n LYS 232 Cb 0.40 -2.39 -0.10 0.00 0.02 0.00 0.00 35.03 32.96 1bd2 n LYS 232 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1bd2 n PRO 233 N 4.14 1.21 -1.06 1.64 -0.02 -1.26 -4.92 135.00 134.74 1bd2 n PRO 233 Ca 0.20 -0.58 -0.30 0.00 -2.02 0.00 0.00 63.50 60.80 1bd2 n PRO 233 Cb 0.25 -1.76 0.16 0.00 -0.02 0.00 0.00 33.50 32.12 1bd2 n PRO 233 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1bd2 s VAL 234 N 1.64 2.50 0.13 -1.45 -7.23 -1.26 -2.29 120.40 112.45 1bd2 s VAL 234 Ca 0.39 0.16 -0.31 0.00 -1.81 0.00 0.00 61.98 60.41 1bd2 s VAL 234 Cb 0.19 -2.54 -0.11 0.00 0.56 0.00 0.00 36.38 34.48 1bd2 s VAL 234 CO 0.00 -0.21 1.82 0.41 -0.31 0.00 0.00 175.10 176.80 1bd2 n THR 235 N -4.06 0.31 -3.85 5.32 -1.04 -1.09 -4.40 114.28 105.46 1bd2 n THR 235 Ca 0.07 -0.05 -0.07 0.00 -2.04 0.00 0.00 64.05 61.95 1bd2 n THR 235 Cb 0.55 -2.08 -0.02 0.00 -1.82 0.00 0.00 70.33 66.95 1bd2 n THR 235 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bd2 s GLN 236 N 2.47 1.78 -0.12 -2.82 -2.07 -0.77 -4.91 119.66 113.22 1bd2 s GLN 236 Ca 0.81 -0.98 0.00 0.00 -1.82 0.00 0.00 55.36 53.37 1bd2 s GLN 236 Cb -0.49 0.61 -0.02 0.00 -1.09 0.00 0.00 33.01 32.02 1bd2 s GLN 236 CO 0.37 -0.81 -0.13 0.42 -1.32 0.00 0.00 175.29 173.81 1bd2 s ILE 237 N -3.92 3.05 -0.17 3.63 1.01 -1.26 -0.40 121.20 123.14 1bd2 s ILE 237 Ca 0.11 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1bd2 s ILE 237 Cb -0.06 -2.27 0.03 0.00 0.01 0.00 0.00 42.46 40.17 1bd2 s ILE 237 CO 0.07 0.53 -0.14 -0.69 0.00 0.00 0.00 174.94 174.71 1bd2 s VAL 238 N 0.28 1.66 0.44 2.92 1.01 -0.47 -4.98 120.40 121.27 1bd2 s VAL 238 Ca -0.10 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.15 1bd2 s VAL 238 Cb -0.16 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 1bd2 s VAL 238 CO 0.05 0.39 0.07 -0.44 0.00 0.00 0.00 175.10 175.18 1bd2 s SER 239 N 1.43 4.12 0.08 3.32 0.01 -1.26 -1.88 113.70 119.52 1bd2 s SER 239 Ca 0.03 -1.36 -0.10 0.00 1.31 0.00 0.00 55.95 55.83 1bd2 s SER 239 Cb -0.14 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 65.96 1bd2 s SER 239 CO -0.10 -0.61 0.23 0.00 0.41 0.00 0.00 173.24 173.16 1bd2 s ALA 240 N -2.73 -0.39 0.34 1.44 0.00 -0.66 -4.84 121.76 114.93 1bd2 s ALA 240 Ca 0.29 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.86 1bd2 s ALA 240 Cb 0.06 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 1bd2 s ALA 240 CO 0.16 -0.48 0.42 -1.83 0.00 0.00 0.00 175.76 174.03 1bd2 s GLU 241 N -3.40 1.89 -0.00 0.00 -1.05 -1.26 -1.47 118.70 113.41 1bd2 s GLU 241 Ca 0.01 -1.86 -0.26 0.00 -0.15 0.00 0.00 54.97 52.72 1bd2 s GLU 241 Cb 0.03 0.41 0.06 0.00 -0.44 0.00 0.00 34.13 34.18 1bd2 s GLU 241 CO -0.09 -0.76 0.57 0.00 0.95 0.00 0.00 175.26 175.94 1bd2 s ALA 242 N -3.13 -1.48 0.01 -0.84 0.00 0.14 -4.77 121.76 111.70 1bd2 s ALA 242 Ca 0.34 0.91 0.07 0.00 0.00 0.00 0.00 51.96 53.27 1bd2 s ALA 242 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 1bd2 s ALA 242 CO 0.23 -0.42 -0.20 -1.58 0.00 0.00 0.00 175.76 173.79 1bd2 s TRP 243 N -1.73 2.50 -0.24 0.00 0.51 -1.26 -1.05 118.94 117.66 1bd2 s TRP 243 Ca -0.09 -0.30 -0.34 0.00 -2.12 0.00 0.00 56.10 53.25 1bd2 s TRP 243 Cb -0.01 -1.49 -0.10 0.00 -0.81 0.00 0.00 33.47 31.05 1bd2 s TRP 243 CO 0.04 0.16 2.09 0.41 -0.51 0.00 0.00 176.95 179.14 1bd2 n GLY 244 N 1.93 0.90 0.00 0.98 0.00 -0.06 -4.94 105.19 104.00 1bd2 n GLY 244 Ca -0.16 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1bd2 n GLY 244 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bd2 n ARG 245 N 7.74 1.18 -2.65 1.61 0.63 -0.97 -3.01 116.66 121.19 1bd2 n ARG 245 Ca 0.33 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 57.22 1bd2 n ARG 245 Cb 0.29 0.00 0.07 0.00 0.45 0.00 0.00 32.46 33.26 1bd2 n ARG 245 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bd2 n ALA 246 N -3.00 -3.95 0.94 5.13 0.00 -1.26 -3.80 120.51 114.57 1bd2 n ALA 246 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1bd2 n ALA 246 Cb 0.00 -3.53 0.45 0.00 0.00 0.00 0.00 19.45 16.36 1bd2 n ALA 246 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25