#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bt9 s GLU 2 N 0.00 2.92 0.00 0.00 2.12 -1.26 0.70 118.70 123.17 1bt9 s GLU 2 Ca 0.00 0.32 0.23 0.00 0.36 0.00 0.00 54.97 55.88 1bt9 s GLU 2 Cb 0.00 -4.28 0.12 0.00 0.26 0.00 0.00 34.13 30.23 1bt9 s GLU 2 CO 0.00 -2.42 1.18 0.44 -0.54 0.00 0.00 175.26 173.92 1bt9 n ILE 3 N 6.89 0.00 -3.71 -3.70 -5.35 -0.87 -4.93 119.36 107.70 1bt9 n ILE 3 Ca 0.14 -0.31 -0.11 0.00 -0.27 0.00 0.00 62.75 62.20 1bt9 n ILE 3 Cb 0.51 1.23 -0.11 0.00 -1.74 0.00 0.00 39.64 39.53 1bt9 n ILE 3 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1bt9 s TYR 4 N -2.36 -0.54 -0.40 4.28 6.14 -1.10 -4.98 117.35 118.40 1bt9 s TYR 4 Ca 0.22 1.18 0.07 0.00 0.64 0.00 0.00 57.07 59.17 1bt9 s TYR 4 Cb 0.19 0.22 0.17 0.00 0.42 0.00 0.00 41.96 42.96 1bt9 s TYR 4 CO 0.50 -0.30 0.56 1.21 0.64 0.00 0.00 175.55 178.16 1bt9 s ASN 5 N 1.12 -0.77 -0.22 4.32 3.84 -1.26 -0.23 114.94 121.75 1bt9 s ASN 5 Ca -0.07 -1.05 -0.19 0.00 0.21 0.00 0.00 52.86 51.76 1bt9 s ASN 5 Cb -0.07 1.56 0.06 0.00 -0.55 0.00 0.00 41.25 42.24 1bt9 s ASN 5 CO -0.09 -0.19 0.58 -0.75 -2.79 0.00 0.00 177.10 173.85 1bt9 s LYS 6 N 1.69 0.66 -1.12 0.43 2.20 -0.31 -4.93 119.74 118.35 1bt9 s LYS 6 Ca 0.17 0.83 -0.07 0.00 -0.36 0.00 0.00 55.97 56.54 1bt9 s LYS 6 Cb -0.07 0.29 0.01 0.00 -1.51 0.00 0.00 37.83 36.55 1bt9 s LYS 6 CO -0.06 -0.09 0.98 -0.25 -0.36 0.00 0.00 175.35 175.57 1bt9 n ASP 7 N 2.98 -5.52 0.00 1.43 8.00 -1.26 -2.36 116.55 119.81 1bt9 n ASP 7 Ca -0.15 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1bt9 n ASP 7 Cb 0.56 -4.27 0.00 0.00 -0.02 0.00 0.00 41.12 37.39 1bt9 n ASP 7 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bt9 n GLY 8 N -1.74 3.13 3.77 0.44 0.00 -1.26 -4.94 105.19 104.59 1bt9 n GLY 8 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1bt9 n GLY 8 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bt9 s ASN 9 N -0.72 6.48 -0.06 1.61 2.47 -1.00 -1.62 114.94 122.10 1bt9 s ASN 9 Ca 0.00 0.56 0.01 0.00 0.42 0.00 0.00 52.86 53.86 1bt9 s ASN 9 Cb 0.00 -2.17 0.02 0.00 -1.45 0.00 0.00 41.25 37.65 1bt9 s ASN 9 CO 0.00 0.18 -0.07 -1.59 -3.72 0.00 0.00 177.10 171.90 1bt9 s LYS 10 N 0.01 1.18 -0.08 0.43 -2.85 0.61 -1.16 119.74 117.87 1bt9 s LYS 10 Ca 0.17 -0.22 0.02 0.00 -1.00 0.00 0.00 55.97 54.93 1bt9 s LYS 10 Cb -0.13 -1.09 -0.02 0.00 -2.06 0.00 0.00 37.83 34.53 1bt9 s LYS 10 CO 0.05 -0.06 -0.12 0.08 0.10 0.00 0.00 175.35 175.41 1bt9 s VAL 11 N 0.89 3.26 -0.17 1.79 1.01 0.68 -1.29 120.40 126.57 1bt9 s VAL 11 Ca -0.11 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1bt9 s VAL 11 Cb -0.15 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 1bt9 s VAL 11 CO 0.01 0.57 -0.12 -0.62 0.00 0.00 0.00 175.10 174.93 1bt9 s ASP 12 N -0.39 3.84 -0.22 3.32 -1.08 0.30 -2.04 116.67 120.40 1bt9 s ASP 12 Ca 0.05 -0.44 -0.06 0.00 -0.52 0.00 0.00 52.55 51.58 1bt9 s ASP 12 Cb -0.12 -1.61 -0.02 0.00 -1.46 0.00 0.00 42.92 39.70 1bt9 s ASP 12 CO 0.02 0.07 0.02 -0.22 0.52 0.00 0.00 175.17 175.58 1bt9 s LEU 13 N 0.93 3.28 0.09 -1.34 2.96 0.22 -1.27 118.68 123.55 1bt9 s LEU 13 Ca -0.03 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1bt9 s LEU 13 Cb -0.15 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1bt9 s LEU 13 CO -0.01 0.01 -0.04 -0.72 -1.32 0.00 0.00 176.35 174.27 1bt9 s TYR 14 N 1.32 0.80 0.00 5.38 -0.85 0.67 0.56 117.35 125.23 1bt9 s TYR 14 Ca 0.04 -0.99 0.00 0.00 -0.52 0.00 0.00 57.07 55.60 1bt9 s TYR 14 Cb -0.15 -0.49 0.00 0.00 0.38 0.00 0.00 41.96 41.70 1bt9 s TYR 14 CO 0.02 -0.25 0.00 0.41 -1.52 0.00 0.00 175.55 174.20 1bt9 n GLY 15 N -0.02 0.33 3.42 5.49 0.00 -1.01 0.04 105.19 113.44 1bt9 n GLY 15 Ca -0.12 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.83 1bt9 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bt9 s LYS 16 N -2.00 0.78 -0.32 1.61 -2.85 -0.79 -1.37 119.74 114.80 1bt9 s LYS 16 Ca 0.00 0.38 -0.00 0.00 -1.00 0.00 0.00 55.97 55.35 1bt9 s LYS 16 Cb 0.00 0.37 0.07 0.00 -2.06 0.00 0.00 37.83 36.20 1bt9 s LYS 16 CO 0.00 -0.18 0.02 0.00 0.10 0.00 0.00 175.35 175.29 1bt9 s ALA 17 N -0.55 2.84 -0.37 0.59 0.00 0.16 -1.01 121.76 123.42 1bt9 s ALA 17 Ca -0.07 -1.98 -0.07 0.00 0.00 0.00 0.00 51.96 49.85 1bt9 s ALA 17 Cb -0.03 -1.96 0.06 0.00 0.00 0.00 0.00 23.12 21.19 1bt9 s ALA 17 CO 0.04 -1.39 0.15 0.08 0.00 0.00 0.00 175.76 174.64 1bt9 s VAL 18 N 1.17 3.82 -0.33 0.00 1.01 -0.42 -1.62 120.40 124.02 1bt9 s VAL 18 Ca -0.02 -1.31 -0.24 0.00 0.00 0.00 0.00 61.98 60.41 1bt9 s VAL 18 Cb -0.20 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 32.92 1bt9 s VAL 18 CO -0.03 -0.32 0.83 -0.83 0.00 0.00 0.00 175.10 174.74 1bt9 s GLY 19 N 1.64 1.66 -0.07 4.51 0.00 0.19 -1.56 107.32 113.70 1bt9 s GLY 19 Ca 0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 44.72 44.18 1bt9 s GLY 19 CO 0.02 1.82 0.19 -2.27 0.00 0.00 0.00 173.10 172.86 1bt9 s LEU 20 N 3.12 1.28 -0.02 0.66 2.96 -1.26 -0.25 118.68 125.16 1bt9 s LEU 20 Ca 0.34 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 1bt9 s LEU 20 Cb -0.13 0.68 0.02 0.00 0.50 0.00 0.00 46.19 47.26 1bt9 s LEU 20 CO 0.15 -0.10 0.00 -2.28 -1.32 0.00 0.00 176.35 172.80 1bt9 s HIS 21 N -0.06 0.23 -0.08 5.38 5.65 -0.98 0.47 115.29 125.91 1bt9 s HIS 21 Ca -0.02 0.02 0.00 0.00 0.25 0.00 0.00 55.06 55.32 1bt9 s HIS 21 Cb -0.02 -0.32 -0.03 0.00 -1.18 0.00 0.00 32.58 31.03 1bt9 s HIS 21 CO 0.00 -0.10 -0.06 0.71 -0.65 0.00 0.00 174.74 174.65 1bt9 s TYR 22 N 0.84 2.97 -0.17 3.88 2.02 0.49 -1.70 117.35 125.68 1bt9 s TYR 22 Ca -0.08 -0.00 -0.01 0.00 -0.37 0.00 0.00 57.07 56.60 1bt9 s TYR 22 Cb -0.11 -1.75 -0.01 0.00 -0.40 0.00 0.00 41.96 39.69 1bt9 s TYR 22 CO -0.02 0.30 -0.11 -0.06 -1.57 0.00 0.00 175.55 174.10 1bt9 s PHE 23 N -0.68 2.86 0.00 2.71 0.40 0.45 -0.38 117.98 123.35 1bt9 s PHE 23 Ca 0.10 -0.88 0.00 0.00 -0.60 0.00 0.00 56.93 55.55 1bt9 s PHE 23 Cb -0.11 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.46 1bt9 s PHE 23 CO 0.02 -0.42 0.00 0.43 0.70 0.00 0.00 175.22 175.95 1bt9 n SER 24 N 4.15 0.28 -3.89 1.36 7.64 -1.26 0.09 113.62 121.99 1bt9 n SER 24 Ca -0.19 -0.32 -0.09 0.00 1.01 0.00 0.00 58.87 59.28 1bt9 n SER 24 Cb 0.52 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.63 1bt9 n SER 24 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1bt9 s LYS 25 N 0.03 0.72 0.00 1.43 2.36 -1.26 -5.05 119.74 117.97 1bt9 s LYS 25 Ca 0.00 -0.82 0.00 0.00 -2.55 0.00 0.00 55.97 52.60 1bt9 s LYS 25 Cb 0.00 0.29 0.00 0.00 -1.05 0.00 0.00 37.83 37.07 1bt9 s LYS 25 CO 0.00 -0.21 0.00 0.41 1.55 0.00 0.00 175.35 177.10 1bt9 n GLY 26 N 0.39 -0.13 2.81 5.54 0.00 -1.26 -4.58 105.19 107.97 1bt9 n GLY 26 Ca -0.17 -2.08 -0.40 0.00 0.00 0.00 0.00 46.02 43.37 1bt9 n GLY 26 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bt9 n ASN 27 N 0.00 7.44 -3.33 1.61 5.15 -1.26 -4.92 115.26 119.95 1bt9 n ASN 27 Ca 0.00 -3.78 -0.35 0.00 -0.60 0.00 0.00 54.58 49.85 1bt9 n ASN 27 Cb 0.00 -1.10 -0.01 0.00 -0.53 0.00 0.00 39.78 38.14 1bt9 n ASN 27 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1bt9 n GLY 28 N -0.36 5.92 1.29 8.20 0.00 -1.26 -4.87 105.19 114.10 1bt9 n GLY 28 Ca 0.51 -2.67 0.04 0.00 0.00 0.00 0.00 46.02 43.90 1bt9 n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bt9 n GLU 29 N -0.15 0.71 -0.35 1.61 1.02 -1.26 -1.37 120.64 120.85 1bt9 n GLU 29 Ca 0.40 -2.57 0.08 0.00 -0.02 0.00 0.00 57.16 55.05 1bt9 n GLU 29 Cb 0.32 -0.68 0.25 0.00 -0.02 0.00 0.00 31.44 31.30 1bt9 n GLU 29 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1bt9 n ASN 30 N -0.12 3.19 -4.99 1.62 5.15 -1.26 -4.76 115.26 114.09 1bt9 n ASN 30 Ca 0.11 -2.15 -0.19 0.00 -0.60 0.00 0.00 54.58 51.76 1bt9 n ASN 30 Cb 0.98 -0.42 0.03 0.00 -0.53 0.00 0.00 39.78 39.84 1bt9 n ASN 30 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1bt9 s SER 31 N -0.90 5.40 -0.07 1.20 1.04 -0.47 0.53 113.70 120.44 1bt9 s SER 31 Ca 0.36 -0.42 -0.13 0.00 0.48 0.00 0.00 55.95 56.24 1bt9 s SER 31 Cb 0.21 -0.48 -0.09 0.00 0.10 0.00 0.00 66.02 65.76 1bt9 s SER 31 CO 0.21 -1.01 0.50 0.22 0.98 0.00 0.00 173.24 174.14 1bt9 h TYR 32 N 0.37 -0.22 -0.02 5.02 3.20 -1.44 -3.37 116.97 120.51 1bt9 h TYR 32 Ca -0.38 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.48 1bt9 h TYR 32 Cb 1.28 0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.63 1bt9 h TYR 32 CO 0.37 0.05 -0.24 0.41 -1.64 0.00 0.00 178.16 177.10 1bt9 n GLY 33 N 1.01 0.21 7.00 1.82 0.00 -1.26 -5.05 105.19 108.92 1bt9 n GLY 33 Ca -0.05 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1bt9 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bt9 n GLY 34 N 1.36 -1.94 3.31 -0.02 0.00 -1.26 -4.99 105.19 101.65 1bt9 n GLY 34 Ca 0.12 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 1bt9 n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bt9 s ASN 35 N -4.00 -0.50 0.00 1.61 2.47 -1.26 -4.31 114.94 108.94 1bt9 s ASN 35 Ca 0.00 0.91 0.00 0.00 0.42 0.00 0.00 52.86 54.19 1bt9 s ASN 35 Cb 0.00 0.85 0.00 0.00 -1.45 0.00 0.00 41.25 40.65 1bt9 s ASN 35 CO 0.00 -0.18 0.00 0.61 -3.72 0.00 0.00 177.10 173.81 1bt9 n GLY 36 N 3.62 0.60 3.73 1.21 0.00 0.49 -4.91 105.19 109.93 1bt9 n GLY 36 Ca -0.19 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.35 1bt9 n GLY 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bt9 s ASP 37 N -4.00 6.95 -0.00 1.61 2.15 -1.26 -0.38 116.67 121.73 1bt9 s ASP 37 Ca 0.00 2.31 0.16 0.00 0.43 0.00 0.00 52.55 55.44 1bt9 s ASP 37 Cb 0.00 -2.60 0.26 0.00 -0.30 0.00 0.00 42.92 40.28 1bt9 s ASP 37 CO 0.00 -0.51 1.10 0.23 -0.17 0.00 0.00 175.17 175.83 1bt9 n MET 38 N 2.97 0.04 -1.62 4.34 2.81 0.18 -4.88 117.12 120.96 1bt9 n MET 38 Ca 0.07 -1.64 -0.41 0.00 -1.81 0.00 0.00 57.70 53.91 1bt9 n MET 38 Cb 0.43 -0.24 0.01 0.00 -0.71 0.00 0.00 33.22 32.72 1bt9 n MET 38 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1bt9 n THR 39 N 0.26 2.43 -3.90 2.03 -1.04 -0.98 -4.64 114.28 108.44 1bt9 n THR 39 Ca 0.04 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.05 61.46 1bt9 n THR 39 Cb 0.96 -1.21 -0.02 0.00 -1.82 0.00 0.00 70.33 68.24 1bt9 n THR 39 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1bt9 s TYR 40 N -1.25 0.12 0.18 -1.42 1.13 -0.60 0.47 117.35 115.98 1bt9 s TYR 40 Ca 0.63 -0.60 0.01 0.00 -1.41 0.00 0.00 57.07 55.70 1bt9 s TYR 40 Cb -0.56 0.56 -0.05 0.00 -1.10 0.00 0.00 41.96 40.81 1bt9 s TYR 40 CO 0.57 -1.26 0.02 0.00 -2.51 0.00 0.00 175.55 172.37 1bt9 s ALA 41 N -3.46 1.35 0.01 9.51 0.00 -0.17 -1.30 121.76 127.69 1bt9 s ALA 41 Ca 0.16 -1.62 0.01 0.00 0.00 0.00 0.00 51.96 50.52 1bt9 s ALA 41 Cb -0.04 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 1bt9 s ALA 41 CO 0.10 -0.36 -0.04 1.03 0.00 0.00 0.00 175.76 176.49 1bt9 s ARG 42 N -3.94 0.31 -0.00 0.00 1.81 -0.18 -1.74 118.95 115.20 1bt9 s ARG 42 Ca 0.26 -0.30 0.01 0.00 -1.72 0.00 0.00 55.73 53.97 1bt9 s ARG 42 Cb 0.06 -0.20 -0.00 0.00 -0.45 0.00 0.00 34.95 34.37 1bt9 s ARG 42 CO 0.05 0.05 -0.03 -1.17 -0.68 0.00 0.00 175.30 173.52 1bt9 s LEU 43 N -0.55 1.96 0.25 2.53 2.96 -0.42 -1.89 118.68 123.51 1bt9 s LEU 43 Ca -0.03 -0.05 -0.19 0.00 -0.22 0.00 0.00 54.13 53.64 1bt9 s LEU 43 Cb -0.04 -0.15 0.02 0.00 0.50 0.00 0.00 46.19 46.52 1bt9 s LEU 43 CO -0.00 0.03 0.63 -0.83 -1.32 0.00 0.00 176.35 174.85 1bt9 s GLY 44 N -0.01 -0.01 0.06 7.98 0.00 0.11 0.59 107.32 116.04 1bt9 s GLY 44 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 44.42 1bt9 s GLY 44 CO -0.00 -0.21 -0.10 -0.11 0.00 0.00 0.00 173.10 172.68 1bt9 s PHE 45 N -3.92 0.91 -0.17 1.90 -0.12 0.05 -0.24 117.98 116.39 1bt9 s PHE 45 Ca 0.12 -0.52 -0.03 0.00 -0.05 0.00 0.00 56.93 56.46 1bt9 s PHE 45 Cb -0.04 -0.53 0.05 0.00 -0.63 0.00 0.00 43.02 41.88 1bt9 s PHE 45 CO 0.04 -0.03 0.03 0.15 -0.05 0.00 0.00 175.22 175.36 1bt9 s LYS 46 N -1.85 0.67 0.15 1.99 1.02 -0.39 -1.83 119.74 119.50 1bt9 s LYS 46 Ca -0.05 -0.34 0.07 0.00 0.02 0.00 0.00 55.97 55.68 1bt9 s LYS 46 Cb -0.09 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 1bt9 s LYS 46 CO 0.01 -0.58 -0.02 0.20 -0.92 0.00 0.00 175.35 174.04 1bt9 s GLY 47 N 1.87 1.76 -0.25 -3.33 0.00 0.11 -0.54 107.32 106.94 1bt9 s GLY 47 Ca 0.00 -1.32 -0.06 0.00 0.00 0.00 0.00 44.72 43.34 1bt9 s GLY 47 CO -0.08 -1.33 0.51 1.85 0.00 0.00 0.00 173.10 174.06 1bt9 s GLU 48 N -2.76 0.44 0.08 2.90 2.12 -0.41 -2.28 118.70 118.78 1bt9 s GLU 48 Ca 0.26 1.09 0.07 0.00 0.36 0.00 0.00 54.97 56.75 1bt9 s GLU 48 Cb -0.10 0.42 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 1bt9 s GLU 48 CO 0.18 -0.34 -0.11 -0.08 -0.54 0.00 0.00 175.26 174.36 1bt9 s THR 49 N 2.73 3.29 -0.62 -1.70 -1.32 -0.61 -0.29 115.64 117.12 1bt9 s THR 49 Ca 0.02 -1.18 -0.18 0.00 -1.21 0.00 0.00 61.69 59.14 1bt9 s THR 49 Cb -0.13 -2.49 0.12 0.00 -1.51 0.00 0.00 72.50 68.49 1bt9 s THR 49 CO -0.16 0.20 0.70 -1.10 -2.21 0.00 0.00 174.62 172.04 1bt9 s GLN 50 N -1.94 3.11 0.14 7.08 -0.21 -0.64 -1.93 119.66 125.27 1bt9 s GLN 50 Ca 0.19 -1.51 -0.08 0.00 0.02 0.00 0.00 55.36 53.99 1bt9 s GLN 50 Cb -0.11 -4.32 -0.05 0.00 1.00 0.00 0.00 33.01 29.53 1bt9 s GLN 50 CO 0.11 -1.50 1.38 0.82 -2.12 0.00 0.00 175.29 173.98 1bt9 h ILE 51 N 5.82 1.31 -2.11 1.08 2.04 -1.53 -3.47 117.51 120.65 1bt9 h ILE 51 Ca -0.24 -1.98 0.00 0.00 1.00 0.00 0.00 64.86 63.64 1bt9 h ILE 51 Cb 1.08 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 1bt9 h ILE 51 CO 1.06 0.62 0.06 -0.46 0.00 0.00 0.00 178.15 179.43 1bt9 n ASN 52 N -3.91 -0.41 0.02 1.72 0.23 -0.94 -4.95 115.26 107.02 1bt9 n ASN 52 Ca -0.06 -1.27 0.01 0.00 -0.53 0.00 0.00 54.58 52.73 1bt9 n ASN 52 Cb 0.71 0.68 0.33 0.00 -2.08 0.00 0.00 39.78 39.42 1bt9 n ASN 52 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1bt9 h SER 53 N 0.36 0.44 1.07 0.53 0.02 -2.02 -2.23 113.55 111.72 1bt9 h SER 53 Ca -0.06 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 1bt9 h SER 53 Cb 0.23 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1bt9 h SER 53 CO 0.08 0.49 -0.96 0.44 -1.14 0.00 0.00 176.83 175.74 1bt9 h ASP 54 N 0.46 0.00 -3.30 3.07 3.32 -1.96 -3.47 116.42 114.54 1bt9 h ASP 54 Ca 0.10 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.49 1bt9 h ASP 54 Cb 0.27 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.52 1bt9 h ASP 54 CO 0.01 0.16 -0.82 -0.22 -1.72 0.00 0.00 179.24 176.65 1bt9 s LEU 55 N -5.62 2.42 0.01 1.55 2.96 -0.84 0.10 118.68 119.27 1bt9 s LEU 55 Ca 0.00 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.49 1bt9 s LEU 55 Cb 0.09 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 1bt9 s LEU 55 CO 0.78 0.13 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.91 1bt9 s THR 56 N 0.57 1.07 0.16 3.68 2.01 0.97 -1.27 115.64 122.83 1bt9 s THR 56 Ca -0.10 -0.78 0.10 0.00 0.31 0.00 0.00 61.69 61.22 1bt9 s THR 56 Cb -0.16 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1bt9 s THR 56 CO 0.04 0.15 -0.21 -0.83 -0.69 0.00 0.00 174.62 173.08 1bt9 s GLY 57 N -0.72 1.68 0.09 4.40 0.00 -0.81 0.10 107.32 112.07 1bt9 s GLY 57 Ca 0.03 -1.51 -0.24 0.00 0.00 0.00 0.00 44.72 43.01 1bt9 s GLY 57 CO 0.00 -1.51 0.58 -2.52 0.00 0.00 0.00 173.10 169.65 1bt9 s TYR 58 N -1.42 -0.50 0.09 1.90 -0.85 -0.49 -1.57 117.35 114.50 1bt9 s TYR 58 Ca 0.19 0.46 -0.15 0.00 -0.52 0.00 0.00 57.07 57.05 1bt9 s TYR 58 Cb -0.09 0.46 0.03 0.00 0.38 0.00 0.00 41.96 42.73 1bt9 s TYR 58 CO 0.10 -0.75 0.36 0.20 -1.52 0.00 0.00 175.55 173.94 1bt9 s GLY 59 N -2.30 -0.20 -0.16 5.49 0.00 -0.97 -0.20 107.32 108.97 1bt9 s GLY 59 Ca -0.02 -0.03 -0.15 0.00 0.00 0.00 0.00 44.72 44.52 1bt9 s GLY 59 CO -0.06 -0.27 0.44 1.62 0.00 0.00 0.00 173.10 174.83 1bt9 s GLN 60 N -3.28 0.52 -0.02 2.90 0.74 0.08 -0.72 119.66 119.87 1bt9 s GLN 60 Ca -0.00 0.61 -0.02 0.00 0.05 0.00 0.00 55.36 56.00 1bt9 s GLN 60 Cb 0.01 0.25 0.01 0.00 1.10 0.00 0.00 33.01 34.38 1bt9 s GLN 60 CO -0.08 -0.06 0.06 -0.46 -0.55 0.00 0.00 175.29 174.19 1bt9 s TRP 61 N 0.22 -0.06 -0.09 1.67 -0.00 -0.76 -1.19 118.94 118.73 1bt9 s TRP 61 Ca -0.00 0.16 -0.05 0.00 -0.00 0.00 0.00 56.10 56.21 1bt9 s TRP 61 Cb -0.03 -0.01 0.04 0.00 -0.00 0.00 0.00 33.47 33.47 1bt9 s TRP 61 CO 0.01 -0.04 0.22 -2.00 -0.00 0.00 0.00 176.95 175.14 1bt9 s GLU 62 N 0.18 0.19 0.24 5.86 2.12 -0.50 -0.77 118.70 126.02 1bt9 s GLU 62 Ca -0.01 0.45 0.10 0.00 0.36 0.00 0.00 54.97 55.86 1bt9 s GLU 62 Cb -0.02 -0.08 -0.05 0.00 0.26 0.00 0.00 34.13 34.24 1bt9 s GLU 62 CO -0.01 -0.13 -0.17 -0.47 -0.54 0.00 0.00 175.26 173.94 1bt9 s TYR 63 N 0.99 1.96 -0.15 5.30 5.04 0.20 -0.72 117.35 129.97 1bt9 s TYR 63 Ca -0.07 -0.47 0.01 0.00 -2.44 0.00 0.00 57.07 54.09 1bt9 s TYR 63 Cb -0.09 -0.88 0.02 0.00 0.35 0.00 0.00 41.96 41.36 1bt9 s TYR 63 CO -0.06 0.51 -0.15 1.21 -1.34 0.00 0.00 175.55 175.72 1bt9 s ASN 64 N -3.40 2.72 -0.39 4.32 2.47 0.91 -1.31 114.94 120.27 1bt9 s ASN 64 Ca 0.26 -0.50 -0.08 0.00 0.42 0.00 0.00 52.86 52.95 1bt9 s ASN 64 Cb -0.02 -1.21 0.06 0.00 -1.45 0.00 0.00 41.25 38.63 1bt9 s ASN 64 CO 0.10 -0.04 0.21 -0.36 -3.72 0.00 0.00 177.10 173.30 1bt9 s PHE 65 N 1.41 3.32 0.59 0.43 0.08 -0.71 -2.02 117.98 121.07 1bt9 s PHE 65 Ca 0.04 -1.46 -0.19 0.00 0.12 0.00 0.00 56.93 55.43 1bt9 s PHE 65 Cb -0.13 -2.73 -0.04 0.00 -0.57 0.00 0.00 43.02 39.54 1bt9 s PHE 65 CO -0.10 -0.80 1.12 1.04 -0.10 0.00 0.00 175.22 176.38 1bt9 n GLN 66 N 4.89 1.14 -0.05 0.44 1.13 -1.26 -1.00 117.38 122.67 1bt9 n GLN 66 Ca -0.11 0.43 0.03 0.00 -1.94 0.00 0.00 57.00 55.42 1bt9 n GLN 66 Cb 0.44 -2.32 0.05 0.00 0.11 0.00 0.00 30.24 28.52 1bt9 n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bt9 n GLY 67 N 1.09 1.18 0.77 1.08 0.00 0.18 -4.70 105.19 104.79 1bt9 n GLY 67 Ca 0.13 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 46.01 1bt9 n GLY 67 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bt9 n ASN 68 N 0.14 2.51 -5.00 1.61 6.94 -1.15 -4.73 115.26 115.57 1bt9 n ASN 68 Ca 0.05 -3.55 -0.18 0.00 -0.02 0.00 0.00 54.58 50.87 1bt9 n ASN 68 Cb 0.25 -0.56 0.01 0.00 -2.36 0.00 0.00 39.78 37.12 1bt9 n ASN 68 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1bt9 s ASN 69 N -2.67 5.69 0.75 0.53 0.01 -1.26 -5.04 114.94 112.96 1bt9 s ASN 69 Ca 0.40 -0.26 -0.03 0.00 -0.71 0.00 0.00 52.86 52.26 1bt9 s ASN 69 Cb 0.36 -0.89 0.08 0.00 0.41 0.00 0.00 41.25 41.21 1bt9 s ASN 69 CO 0.00 -0.73 0.50 -1.54 -1.51 0.00 0.00 177.10 173.82 1bt9 n SER 70 N -1.89 0.33 -1.47 -1.22 3.41 -1.26 -4.99 113.62 106.52 1bt9 n SER 70 Ca 0.06 -1.36 0.10 0.00 -0.26 0.00 0.00 58.87 57.41 1bt9 n SER 70 Cb 0.59 -0.35 0.34 0.00 -0.26 0.00 0.00 64.21 64.52 1bt9 n SER 70 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bt9 n GLU 71 N -1.99 3.39 0.00 4.33 1.02 -1.26 -4.00 120.64 122.13 1bt9 n GLU 71 Ca 0.07 -2.80 0.00 0.00 -0.02 0.00 0.00 57.16 54.41 1bt9 n GLU 71 Cb 0.25 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 1bt9 n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bt9 n GLY 72 N 1.24 -1.24 0.22 0.62 0.00 -1.26 -4.84 105.19 99.94 1bt9 n GLY 72 Ca 0.25 -1.40 0.06 0.00 0.00 0.00 0.00 46.02 44.93 1bt9 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bt9 h ALA 73 N -2.00 1.58 -0.19 4.61 0.00 -2.05 -2.64 119.26 118.57 1bt9 h ALA 73 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1bt9 h ALA 73 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1bt9 h ALA 73 CO 0.00 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1bt9 n ALA 74 N -2.47 2.64 -0.28 0.00 0.00 -1.26 -4.53 120.51 114.61 1bt9 n ALA 74 Ca -0.02 -0.43 0.07 0.00 0.00 0.00 0.00 53.44 53.05 1bt9 n ALA 74 Cb 0.28 -1.00 0.21 0.00 0.00 0.00 0.00 19.45 18.94 1bt9 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bt9 h ALA 75 N 3.05 1.19 0.00 0.00 0.00 -1.60 -1.96 119.26 119.94 1bt9 h ALA 75 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1bt9 h ALA 75 Cb 0.54 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1bt9 h ALA 75 CO 0.06 -0.16 0.00 1.04 0.00 0.00 0.00 179.25 180.19 1bt9 n GLN 76 N -4.94 0.14 -1.56 0.00 3.00 -1.26 -4.74 117.38 108.01 1bt9 n GLN 76 Ca 0.16 0.30 -0.49 0.00 -0.01 0.00 0.00 57.00 56.96 1bt9 n GLN 76 Cb 0.44 -1.73 -0.04 0.00 0.00 0.00 0.00 30.24 28.91 1bt9 n GLN 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1bt9 n THR 77 N -1.99 1.04 -0.99 5.09 -1.04 -0.74 -1.19 114.28 114.46 1bt9 n THR 77 Ca 0.04 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1bt9 n THR 77 Cb 0.27 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 1bt9 n THR 77 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bt9 n GLY 78 N 1.91 0.52 3.75 3.41 0.00 -1.26 -4.48 105.19 109.04 1bt9 n GLY 78 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1bt9 n GLY 78 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bt9 s ASN 79 N -2.13 6.67 0.00 1.61 -0.87 -0.33 -4.46 114.94 115.44 1bt9 s ASN 79 Ca 0.00 0.80 -0.29 0.00 -1.57 0.00 0.00 52.86 51.80 1bt9 s ASN 79 Cb 0.00 -2.26 0.10 0.00 -0.02 0.00 0.00 41.25 39.07 1bt9 s ASN 79 CO 0.00 0.09 1.06 -1.59 -2.57 0.00 0.00 177.10 174.09 1bt9 s LYS 80 N 0.21 0.73 -0.20 -0.60 -2.85 -0.86 -5.02 119.74 111.16 1bt9 s LYS 80 Ca 0.24 -0.35 -0.24 0.00 -1.00 0.00 0.00 55.97 54.62 1bt9 s LYS 80 Cb -0.15 0.28 -0.01 0.00 -2.06 0.00 0.00 37.83 35.89 1bt9 s LYS 80 CO 0.10 -0.33 0.79 0.99 0.10 0.00 0.00 175.35 177.01 1bt9 s THR 81 N -2.87 4.89 -0.15 3.79 2.01 -1.26 -0.06 115.64 121.99 1bt9 s THR 81 Ca 0.10 1.53 -0.21 0.00 0.31 0.00 0.00 61.69 63.41 1bt9 s THR 81 Cb 0.00 -4.09 -0.19 0.00 0.01 0.00 0.00 72.50 68.23 1bt9 s THR 81 CO -0.04 0.01 0.46 0.03 -0.69 0.00 0.00 174.62 174.39 1bt9 h ARG 82 N 7.47 0.00 -6.47 4.92 3.08 -1.27 -3.48 114.38 118.63 1bt9 h ARG 82 Ca -0.28 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.14 1bt9 h ARG 82 Cb 1.12 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.93 1bt9 h ARG 82 CO 0.84 0.78 -0.86 -0.51 -1.07 0.00 0.00 179.97 179.15 1bt9 s LEU 83 N -8.19 2.23 -0.34 3.04 1.43 -1.21 -4.68 118.68 110.95 1bt9 s LEU 83 Ca -0.18 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 1bt9 s LEU 83 Cb -0.00 -1.10 0.19 0.00 0.03 0.00 0.00 46.19 45.31 1bt9 s LEU 83 CO 0.53 0.17 0.73 0.00 0.23 0.00 0.00 176.35 178.01 1bt9 s ALA 84 N -0.93 -2.89 0.15 4.21 0.00 -0.93 -1.41 121.76 119.95 1bt9 s ALA 84 Ca 0.10 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 52.73 1bt9 s ALA 84 Cb -0.10 -2.72 0.01 0.00 0.00 0.00 0.00 23.12 20.31 1bt9 s ALA 84 CO 0.03 -2.11 0.34 -0.59 0.00 0.00 0.00 175.76 173.43 1bt9 s PHE 85 N 2.33 0.12 0.09 0.00 -0.12 -0.34 -1.08 117.98 118.99 1bt9 s PHE 85 Ca 0.15 -0.48 0.02 0.00 -0.05 0.00 0.00 56.93 56.57 1bt9 s PHE 85 Cb -0.05 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 1bt9 s PHE 85 CO -0.16 -0.72 -0.07 0.00 -0.05 0.00 0.00 175.22 174.22 1bt9 s ALA 86 N -3.89 0.94 0.16 1.99 0.00 -0.89 -0.74 121.76 119.33 1bt9 s ALA 86 Ca 0.10 -1.29 -0.23 0.00 0.00 0.00 0.00 51.96 50.55 1bt9 s ALA 86 Cb 0.02 0.14 0.08 0.00 0.00 0.00 0.00 23.12 23.37 1bt9 s ALA 86 CO -0.05 -0.21 1.07 0.20 0.00 0.00 0.00 175.76 176.77 1bt9 s GLY 87 N -2.88 0.09 0.03 0.00 0.00 0.72 -1.61 107.32 103.67 1bt9 s GLY 87 Ca 0.09 -0.29 0.07 0.00 0.00 0.00 0.00 44.72 44.59 1bt9 s GLY 87 CO -0.04 2.87 -0.21 1.08 0.00 0.00 0.00 173.10 176.80 1bt9 s LEU 88 N -3.46 2.15 -0.16 0.66 1.43 -0.31 -1.40 118.68 117.58 1bt9 s LEU 88 Ca 0.23 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1bt9 s LEU 88 Cb -0.02 -0.99 0.02 0.00 0.03 0.00 0.00 46.19 45.22 1bt9 s LEU 88 CO 0.05 0.18 -0.18 -0.75 0.23 0.00 0.00 176.35 175.87 1bt9 s LYS 89 N -1.06 2.73 -0.28 1.70 2.20 0.28 -1.21 119.74 124.10 1bt9 s LYS 89 Ca 0.08 -0.73 -0.00 0.00 -0.36 0.00 0.00 55.97 54.96 1bt9 s LYS 89 Cb -0.09 -2.37 0.05 0.00 -1.51 0.00 0.00 37.83 33.91 1bt9 s LYS 89 CO 0.01 -0.20 -0.05 -0.47 -0.36 0.00 0.00 175.35 174.29 1bt9 s TYR 90 N 1.31 3.25 0.00 4.03 5.04 -0.72 -0.02 117.35 130.24 1bt9 s TYR 90 Ca 0.04 -2.02 0.00 0.00 -2.44 0.00 0.00 57.07 52.65 1bt9 s TYR 90 Cb -0.13 -2.04 0.00 0.00 0.35 0.00 0.00 41.96 40.14 1bt9 s TYR 90 CO -0.11 -0.83 0.00 0.00 -1.34 0.00 0.00 175.55 173.27 1bt9 n ALA 91 N 4.56 0.00 0.41 3.97 0.00 0.29 -0.55 120.51 129.19 1bt9 n ALA 91 Ca -0.14 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.40 1bt9 n ALA 91 Cb 0.43 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.14 1bt9 n ALA 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bt9 n ASP 92 N 0.54 2.84 0.11 0.00 8.00 -1.26 -4.28 116.55 122.50 1bt9 n ASP 92 Ca 0.00 -1.96 -0.04 0.00 0.71 0.00 0.00 54.79 53.51 1bt9 n ASP 92 Cb 0.00 -0.31 0.11 0.00 -0.02 0.00 0.00 41.12 40.90 1bt9 n ASP 92 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1bt9 h VAL 93 N 3.29 1.46 0.00 2.53 2.07 -1.18 -3.38 116.25 121.05 1bt9 h VAL 93 Ca 0.00 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1bt9 h VAL 93 Cb 0.74 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1bt9 h VAL 93 CO 0.00 0.66 0.00 0.61 0.02 0.00 0.00 177.57 178.86 1bt9 n GLY 94 N 0.44 1.76 3.50 2.17 0.00 -1.18 -4.87 105.19 107.01 1bt9 n GLY 94 Ca -0.02 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 43.80 1bt9 n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bt9 s SER 95 N 0.00 3.89 -0.01 1.61 1.04 -0.09 -1.75 113.70 118.40 1bt9 s SER 95 Ca 0.00 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.84 1bt9 s SER 95 Cb 0.00 -0.54 -0.00 0.00 0.10 0.00 0.00 66.02 65.58 1bt9 s SER 95 CO 0.00 0.15 -0.08 0.12 0.98 0.00 0.00 173.24 174.41 1bt9 s PHE 96 N -1.35 0.76 0.04 5.02 5.36 -0.35 -1.56 117.98 125.91 1bt9 s PHE 96 Ca 0.20 -0.16 -0.17 0.00 -0.96 0.00 0.00 56.93 55.84 1bt9 s PHE 96 Cb -0.10 -0.51 0.03 0.00 -0.34 0.00 0.00 43.02 42.10 1bt9 s PHE 96 CO 0.11 -0.04 0.38 0.16 -1.46 0.00 0.00 175.22 174.37 1bt9 s ASP 97 N -0.04 -0.24 0.03 6.13 1.47 -0.62 -1.17 116.67 122.25 1bt9 s ASP 97 Ca 0.01 -0.06 0.03 0.00 1.18 0.00 0.00 52.55 53.71 1bt9 s ASP 97 Cb -0.05 0.41 -0.02 0.00 -0.34 0.00 0.00 42.92 42.92 1bt9 s ASP 97 CO -0.00 -0.65 -0.10 -0.47 0.68 0.00 0.00 175.17 174.63 1bt9 s TYR 98 N -2.51 0.87 -5.00 2.11 5.04 -0.63 -1.18 117.35 116.04 1bt9 s TYR 98 Ca -0.05 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.22 1bt9 s TYR 98 Cb -0.01 -0.52 0.00 0.00 0.35 0.00 0.00 41.96 41.78 1bt9 s TYR 98 CO -0.03 -0.02 0.00 0.41 -1.34 0.00 0.00 175.55 174.58 1bt9 n GLY 99 N 1.90 0.90 3.61 8.97 0.00 -1.08 -2.09 105.19 117.41 1bt9 n GLY 99 Ca -0.19 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 1bt9 n GLY 99 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bt9 s ARG 100 N -2.00 3.96 0.37 1.61 3.52 -0.24 -1.66 118.95 124.50 1bt9 s ARG 100 Ca 0.00 0.49 -0.07 0.00 -0.13 0.00 0.00 55.73 56.03 1bt9 s ARG 100 Cb 0.00 -3.72 0.02 0.00 -1.56 0.00 0.00 34.95 29.69 1bt9 s ARG 100 CO 0.00 -0.62 0.60 1.21 -0.81 0.00 0.00 175.30 175.68 1bt9 s ASN 101 N 1.61 0.64 0.19 -2.12 3.84 -0.76 -2.20 114.94 116.14 1bt9 s ASN 101 Ca 0.29 -1.39 -0.30 0.00 0.21 0.00 0.00 52.86 51.67 1bt9 s ASN 101 Cb -0.15 0.75 -0.09 0.00 -0.55 0.00 0.00 41.25 41.21 1bt9 s ASN 101 CO 0.12 -1.47 1.29 -0.31 -2.79 0.00 0.00 177.10 173.95 1bt9 s TYR 102 N -2.69 3.28 0.77 0.43 2.02 -1.26 0.09 117.35 119.99 1bt9 s TYR 102 Ca 0.25 1.24 -0.11 0.00 -0.37 0.00 0.00 57.07 58.08 1bt9 s TYR 102 Cb -0.02 -3.58 0.06 0.00 -0.40 0.00 0.00 41.96 38.01 1bt9 s TYR 102 CO 0.18 -1.79 1.10 0.20 -1.57 0.00 0.00 175.55 173.66 1bt9 s GLY 103 N 0.36 1.71 0.32 0.71 0.00 -0.85 -4.89 107.32 104.69 1bt9 s GLY 103 Ca 0.56 0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.59 1bt9 s GLY 103 CO 0.37 0.65 1.98 -0.39 0.00 0.00 0.00 173.10 175.72 1bt9 h VAL 104 N -1.07 1.19 0.00 1.40 -1.51 -1.91 -2.70 116.25 111.65 1bt9 h VAL 104 Ca -0.44 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1bt9 h VAL 104 Cb 1.23 0.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 1bt9 h VAL 104 CO 0.51 0.19 0.00 0.58 -1.23 0.00 0.00 177.57 177.62 1bt9 h VAL 105 N 0.96 0.00 0.00 7.19 2.07 -1.75 -0.00 116.25 124.72 1bt9 h VAL 105 Ca 0.26 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1bt9 h VAL 105 Cb -0.08 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1bt9 h VAL 105 CO -0.05 0.00 0.00 0.22 0.02 0.00 0.00 177.57 177.76 1bt9 h TYR 106 N 0.00 0.00 -0.69 1.57 3.20 -1.48 0.25 116.97 119.82 1bt9 h TYR 106 Ca 0.00 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 1bt9 h TYR 106 Cb 0.23 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 1bt9 h TYR 106 CO 0.00 0.00 0.45 -0.44 -1.64 0.00 0.00 178.16 176.53 1bt9 h ASP 107 N 0.00 0.62 0.00 -2.11 5.19 -1.12 0.18 116.42 119.18 1bt9 h ASP 107 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1bt9 h ASP 107 Cb 0.40 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1bt9 h ASP 107 CO 0.00 0.40 -0.33 0.00 -3.12 0.00 0.00 179.24 176.19 1bt9 h ALA 108 N 1.63 0.00 -1.49 3.45 0.00 -1.13 -3.41 119.26 118.31 1bt9 h ALA 108 Ca 0.30 -0.39 0.43 0.00 0.00 0.00 0.00 54.91 55.25 1bt9 h ALA 108 Cb 0.26 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1bt9 h ALA 108 CO -0.09 0.33 1.05 -0.07 0.00 0.00 0.00 179.25 180.47 1bt9 h LEU 109 N -0.73 0.05 -2.90 0.00 3.38 -1.40 -0.55 115.31 113.16 1bt9 h LEU 109 Ca 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1bt9 h LEU 109 Cb 0.33 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1bt9 h LEU 109 CO 0.00 -0.02 -0.00 1.23 0.09 0.00 0.00 178.44 179.74 1bt9 h GLY 110 N 0.03 0.00 0.25 0.83 0.00 -0.86 -2.99 103.07 100.33 1bt9 h GLY 110 Ca 0.73 0.00 0.07 0.00 0.00 0.00 0.00 47.33 48.13 1bt9 h GLY 110 CO -0.07 0.00 -0.11 -0.97 0.00 0.00 0.00 176.54 175.39 1bt9 h TYR 111 N 0.00 -0.25 -0.32 5.60 -1.99 -1.36 -2.63 116.97 116.02 1bt9 h TYR 111 Ca -0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1bt9 h TYR 111 Cb 0.03 0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.92 1bt9 h TYR 111 CO 0.00 -0.18 0.00 0.25 -0.00 0.00 0.00 178.16 178.23 1bt9 n THR 112 N -5.30 0.42 -2.20 -2.88 -2.24 -1.13 -4.64 114.28 96.30 1bt9 n THR 112 Ca 0.01 -0.59 -0.41 0.00 -2.27 0.00 0.00 64.05 60.79 1bt9 n THR 112 Cb 0.21 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1bt9 n THR 112 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1bt9 n ASP 113 N 0.98 6.98 -0.74 3.42 2.03 -0.99 -4.27 116.55 123.96 1bt9 n ASP 113 Ca 0.18 -3.18 0.01 0.00 0.52 0.00 0.00 54.79 52.31 1bt9 n ASP 113 Cb 0.48 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 1bt9 n ASP 113 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1bt9 n MET 114 N 2.26 0.00 -1.70 -0.67 2.81 -1.26 -4.92 117.12 113.64 1bt9 n MET 114 Ca 0.52 -1.18 -0.30 0.00 -1.81 0.00 0.00 57.70 54.93 1bt9 n MET 114 Cb 0.29 -0.35 0.08 0.00 -0.71 0.00 0.00 33.22 32.53 1bt9 n MET 114 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1bt9 s LEU 115 N 0.00 2.65 0.29 4.03 1.43 -1.25 -4.94 118.68 120.89 1bt9 s LEU 115 Ca 0.08 1.17 -0.03 0.00 -1.03 0.00 0.00 54.13 54.32 1bt9 s LEU 115 Cb 0.09 -3.81 0.41 0.00 0.03 0.00 0.00 46.19 42.91 1bt9 s LEU 115 CO -0.04 -1.78 1.95 1.55 0.23 0.00 0.00 176.35 178.26 1bt9 h PRO 116 N -0.96 1.10 0.00 1.29 0.13 -1.94 -3.41 132.00 128.21 1bt9 h PRO 116 Ca -0.46 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1bt9 h PRO 116 Cb 1.27 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1bt9 h PRO 116 CO 0.62 0.75 -0.13 -1.91 -0.23 0.00 0.00 178.00 177.09 1bt9 n GLU 117 N -4.39 0.00 0.00 0.86 4.07 -1.26 -5.05 120.64 114.87 1bt9 n GLU 117 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 1bt9 n GLU 117 Cb 0.04 -0.25 0.00 0.00 -0.06 0.00 0.00 31.44 31.17 1bt9 n GLU 117 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1bt9 n PHE 118 N -2.22 0.00 -2.55 4.31 3.72 -1.26 -5.05 117.46 114.41 1bt9 n PHE 118 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1bt9 n PHE 118 Cb 0.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1bt9 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bt9 n GLY 119 N 5.00 -2.02 4.28 1.37 0.00 -1.26 -3.83 105.19 108.73 1bt9 n GLY 119 Ca 0.00 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 1bt9 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bt9 n GLY 120 N -0.03 -0.44 0.18 -0.02 0.00 -1.26 -4.79 105.19 98.82 1bt9 n GLY 120 Ca 0.00 0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.17 1bt9 n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bt9 h ASP 121 N -1.40 0.00 0.80 1.61 5.19 -1.95 -2.73 116.42 117.94 1bt9 h ASP 121 Ca -0.59 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.82 1bt9 h ASP 121 Cb 1.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.89 1bt9 h ASP 121 CO 0.80 0.41 -0.68 0.35 -3.12 0.00 0.00 179.24 177.00 1bt9 n THR 122 N -4.03 0.32 -0.52 0.35 -2.24 -1.26 -4.35 114.28 102.55 1bt9 n THR 122 Ca -0.02 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 1bt9 n THR 122 Cb 0.44 -0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.53 1bt9 n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bt9 n ALA 123 N -1.82 3.77 -1.60 6.98 0.00 -1.03 -4.84 120.51 121.98 1bt9 n ALA 123 Ca 0.03 -1.07 -0.37 0.00 0.00 0.00 0.00 53.44 52.03 1bt9 n ALA 123 Cb 0.44 -2.42 0.07 0.00 0.00 0.00 0.00 19.45 17.54 1bt9 n ALA 123 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bt9 n TYR 124 N 3.07 1.30 -2.51 0.00 4.02 -1.26 -4.14 117.16 117.63 1bt9 n TYR 124 Ca 0.25 0.42 -0.33 0.00 -0.01 0.00 0.00 57.90 58.23 1bt9 n TYR 124 Cb 0.38 -2.18 -0.04 0.00 -0.02 0.00 0.00 39.34 37.48 1bt9 n TYR 124 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1bt9 s SER 125 N -1.42 6.49 -1.38 7.72 0.01 -1.26 -2.41 113.70 121.44 1bt9 s SER 125 Ca 0.79 1.76 -0.11 0.00 1.31 0.00 0.00 55.95 59.70 1bt9 s SER 125 Cb -0.38 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.32 1bt9 s SER 125 CO 0.44 -0.68 0.37 0.47 0.41 0.00 0.00 173.24 174.26 1bt9 n ASP 126 N -1.17 -1.37 -3.16 2.44 8.00 -0.16 -4.93 116.55 116.20 1bt9 n ASP 126 Ca 0.08 -1.18 -0.20 0.00 0.71 0.00 0.00 54.79 54.20 1bt9 n ASP 126 Cb 0.53 -2.22 -0.04 0.00 -0.02 0.00 0.00 41.12 39.38 1bt9 n ASP 126 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1bt9 n ASP 127 N -2.71 1.28 0.00 -2.24 2.03 -1.25 -4.48 116.55 109.17 1bt9 n ASP 127 Ca -0.24 -3.07 0.00 0.00 0.52 0.00 0.00 54.79 52.00 1bt9 n ASP 127 Cb 0.65 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1bt9 n ASP 127 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1bt9 n PHE 128 N 0.37 0.00 0.17 -0.67 3.72 -1.26 -3.68 117.46 116.11 1bt9 n PHE 128 Ca 0.25 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.67 1bt9 n PHE 128 Cb 0.60 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.14 1bt9 n PHE 128 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1bt9 n PHE 129 N 0.00 0.00 0.08 1.38 3.72 -1.26 -4.77 117.46 116.61 1bt9 n PHE 129 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 1bt9 n PHE 129 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1bt9 n PHE 129 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 1bt9 h VAL 130 N 0.28 1.62 -2.53 -4.37 -1.51 -1.85 -2.47 116.25 105.43 1bt9 h VAL 130 Ca 0.00 -3.00 0.00 0.00 -1.23 0.00 0.00 66.70 62.47 1bt9 h VAL 130 Cb 0.12 2.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 1bt9 h VAL 130 CO 0.00 0.86 0.00 0.61 -1.23 0.00 0.00 177.57 177.81 1bt9 n GLY 131 N 1.02 6.66 3.71 5.19 0.00 -1.01 -3.80 105.19 116.97 1bt9 n GLY 131 Ca -0.01 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 1bt9 n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bt9 s ARG 132 N 0.59 4.31 0.43 1.61 0.52 -1.26 -2.01 118.95 123.14 1bt9 s ARG 132 Ca 0.00 2.06 0.06 0.00 -0.52 0.00 0.00 55.73 57.33 1bt9 s ARG 132 Cb 0.00 -3.33 -0.06 0.00 0.52 0.00 0.00 34.95 32.07 1bt9 s ARG 132 CO 0.00 -0.48 0.01 0.08 0.02 0.00 0.00 175.30 174.93 1bt9 s VAL 133 N 1.44 1.79 0.14 3.52 1.01 0.11 -0.98 120.40 127.43 1bt9 s VAL 133 Ca 0.65 -2.00 0.06 0.00 0.00 0.00 0.00 61.98 60.68 1bt9 s VAL 133 Cb -0.36 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1bt9 s VAL 133 CO 0.30 0.00 0.05 -0.83 0.00 0.00 0.00 175.10 174.62 1bt9 s GLY 134 N -3.74 1.80 -0.17 4.51 0.00 -1.26 -1.83 107.32 106.64 1bt9 s GLY 134 Ca 0.29 -1.22 -0.00 0.00 0.00 0.00 0.00 44.72 43.79 1bt9 s GLY 134 CO 0.15 -1.22 0.01 0.61 0.00 0.00 0.00 173.10 172.65 1bt9 n GLY 135 N 0.05 0.34 3.75 0.20 0.00 -1.16 -4.75 105.19 103.62 1bt9 n GLY 135 Ca -0.09 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 1bt9 n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bt9 s VAL 136 N -2.19 4.77 -0.26 1.61 -7.23 -0.67 -3.32 120.40 113.12 1bt9 s VAL 136 Ca 0.01 -0.07 -0.10 0.00 -1.81 0.00 0.00 61.98 60.00 1bt9 s VAL 136 Cb -0.00 -3.04 -0.05 0.00 0.56 0.00 0.00 36.38 33.85 1bt9 s VAL 136 CO 0.01 0.60 0.16 0.00 -0.31 0.00 0.00 175.10 175.56 1bt9 s ALA 137 N -0.86 3.50 -0.09 1.32 0.00 -0.77 -2.62 121.76 122.25 1bt9 s ALA 137 Ca 0.13 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1bt9 s ALA 137 Cb -0.12 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.67 1bt9 s ALA 137 CO 0.03 -0.40 -0.09 0.99 0.00 0.00 0.00 175.76 176.29 1bt9 s THR 138 N 1.46 1.01 -0.19 0.00 2.01 -0.33 -1.01 115.64 118.60 1bt9 s THR 138 Ca 0.07 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 1bt9 s THR 138 Cb -0.15 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 1bt9 s THR 138 CO 0.08 0.35 0.01 -0.47 -0.69 0.00 0.00 174.62 173.89 1bt9 s TYR 139 N 1.20 3.09 -0.03 4.92 5.04 -0.40 -1.58 117.35 129.59 1bt9 s TYR 139 Ca -0.05 -0.27 0.02 0.00 -2.44 0.00 0.00 57.07 54.34 1bt9 s TYR 139 Cb -0.14 -2.06 0.01 0.00 0.35 0.00 0.00 41.96 40.11 1bt9 s TYR 139 CO -0.02 -0.09 -0.09 1.03 -1.34 0.00 0.00 175.55 175.03 1bt9 s ARG 140 N 0.73 1.04 -0.03 4.97 0.52 -0.60 -0.54 118.95 125.04 1bt9 s ARG 140 Ca 0.01 -0.31 0.07 0.00 -0.52 0.00 0.00 55.73 54.98 1bt9 s ARG 140 Cb -0.14 -0.96 -0.02 0.00 0.52 0.00 0.00 34.95 34.35 1bt9 s ARG 140 CO 0.02 0.10 -0.23 1.21 0.02 0.00 0.00 175.30 176.41 1bt9 s ASN 141 N 0.28 2.77 -0.04 0.23 3.84 0.49 -0.91 114.94 121.61 1bt9 s ASN 141 Ca -0.05 -0.44 0.04 0.00 0.21 0.00 0.00 52.86 52.63 1bt9 s ASN 141 Cb -0.10 -0.44 -0.03 0.00 -0.55 0.00 0.00 41.25 40.14 1bt9 s ASN 141 CO 0.01 0.27 -0.15 -0.44 -2.79 0.00 0.00 177.10 174.00 1bt9 s SER 142 N -0.42 4.00 -1.47 -4.21 0.01 -1.26 -1.43 113.70 108.92 1bt9 s SER 142 Ca 0.05 -0.22 -0.10 0.00 1.31 0.00 0.00 55.95 56.99 1bt9 s SER 142 Cb -0.10 -0.82 0.06 0.00 0.21 0.00 0.00 66.02 65.37 1bt9 s SER 142 CO 0.00 0.33 0.86 0.59 0.41 0.00 0.00 173.24 175.44 1bt9 n ASN 143 N 2.20 -5.18 -3.29 2.44 3.02 0.18 -3.60 115.26 111.03 1bt9 n ASN 143 Ca -0.17 -0.57 -0.23 0.00 -0.03 0.00 0.00 54.58 53.58 1bt9 n ASN 143 Cb 0.52 -4.15 0.01 0.00 -0.61 0.00 0.00 39.78 35.55 1bt9 n ASN 143 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1bt9 n PHE 144 N -4.58 -1.70 -2.33 3.10 7.35 -0.62 -0.59 117.46 118.09 1bt9 n PHE 144 Ca -0.00 0.70 -0.18 0.00 -0.76 0.00 0.00 57.45 57.21 1bt9 n PHE 144 Cb 0.55 -1.82 -0.01 0.00 0.35 0.00 0.00 39.48 38.56 1bt9 n PHE 144 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1bt9 n PHE 145 N -1.45 -0.85 -0.95 -5.13 3.72 -1.24 -0.68 117.46 110.88 1bt9 n PHE 145 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1bt9 n PHE 145 Cb 0.53 -3.59 0.00 0.00 -0.94 0.00 0.00 39.48 35.48 1bt9 n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bt9 n GLY 146 N -1.01 0.75 0.07 1.37 0.00 0.25 -4.89 105.19 101.73 1bt9 n GLY 146 Ca -0.22 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 1bt9 n GLY 146 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bt9 n LEU 147 N 0.00 0.35 -3.77 0.99 4.77 0.14 -4.79 117.00 114.69 1bt9 n LEU 147 Ca 0.00 0.15 -0.30 0.00 -0.03 0.00 0.00 56.01 55.83 1bt9 n LEU 147 Cb 0.02 0.19 -0.15 0.00 -2.33 0.00 0.00 43.42 41.15 1bt9 n LEU 147 CO 0.00 0.21 -0.32 -0.69 -1.33 0.00 0.00 177.39 175.26 1bt9 s VAL 148 N -2.95 1.09 0.02 4.08 1.01 -0.34 -5.00 120.40 118.32 1bt9 s VAL 148 Ca -0.07 -1.60 -0.36 0.00 0.00 0.00 0.00 61.98 59.95 1bt9 s VAL 148 Cb 0.09 -1.82 -0.15 0.00 0.00 0.00 0.00 36.38 34.50 1bt9 s VAL 148 CO 0.84 -0.68 1.57 0.47 0.00 0.00 0.00 175.10 177.30 1bt9 n ASP 149 N 4.68 2.53 0.00 3.32 8.00 -1.26 -2.29 116.55 131.53 1bt9 n ASP 149 Ca -0.00 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.57 1bt9 n ASP 149 Cb 0.41 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 1bt9 n ASP 149 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bt9 n GLY 150 N 3.40 1.32 3.52 0.44 0.00 -1.26 -4.94 105.19 107.66 1bt9 n GLY 150 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1bt9 n GLY 150 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bt9 s LEU 151 N 0.00 3.93 0.19 0.99 2.96 -0.97 -2.12 118.68 123.65 1bt9 s LEU 151 Ca 0.00 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1bt9 s LEU 151 Cb 0.00 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 1bt9 s LEU 151 CO 0.00 -0.09 -0.08 0.20 -1.32 0.00 0.00 176.35 175.06 1bt9 s ASN 152 N 1.69 2.05 0.28 3.68 0.01 -0.27 0.50 114.94 122.89 1bt9 s ASN 152 Ca 0.06 -1.08 -0.20 0.00 -0.71 0.00 0.00 52.86 50.93 1bt9 s ASN 152 Cb -0.16 -0.05 0.02 0.00 0.41 0.00 0.00 41.25 41.47 1bt9 s ASN 152 CO 0.08 -0.35 0.69 0.72 -1.51 0.00 0.00 177.10 176.73 1bt9 s PHE 153 N -3.25 -0.10 -0.05 2.20 -0.71 -0.51 -1.76 117.98 113.80 1bt9 s PHE 153 Ca 0.22 -0.35 -0.25 0.00 -1.04 0.00 0.00 56.93 55.51 1bt9 s PHE 153 Cb 0.03 0.64 0.05 0.00 -1.21 0.00 0.00 43.02 42.53 1bt9 s PHE 153 CO 0.05 -1.21 0.55 0.00 -1.34 0.00 0.00 175.22 173.26 1bt9 s ALA 154 N -3.89 -1.41 0.17 1.99 0.00 -0.66 -0.38 121.76 117.58 1bt9 s ALA 154 Ca 0.13 1.00 0.10 0.00 0.00 0.00 0.00 51.96 53.19 1bt9 s ALA 154 Cb -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1bt9 s ALA 154 CO 0.07 -0.33 -0.21 0.54 0.00 0.00 0.00 175.76 175.84 1bt9 s VAL 155 N -1.13 2.01 -0.08 0.00 0.11 0.29 -1.35 120.40 120.24 1bt9 s VAL 155 Ca -0.11 -1.92 -0.04 0.00 -2.93 0.00 0.00 61.98 56.98 1bt9 s VAL 155 Cb -0.02 -1.92 0.04 0.00 -1.53 0.00 0.00 36.38 32.95 1bt9 s VAL 155 CO 0.07 -0.21 0.19 -1.58 -3.33 0.00 0.00 175.10 170.24 1bt9 s GLN 156 N -2.65 0.14 -0.21 1.54 0.74 0.58 -1.28 119.66 118.53 1bt9 s GLN 156 Ca 0.17 0.44 -0.06 0.00 0.05 0.00 0.00 55.36 55.96 1bt9 s GLN 156 Cb -0.07 -0.15 -0.03 0.00 1.10 0.00 0.00 33.01 33.86 1bt9 s GLN 156 CO 0.08 -0.16 0.02 0.71 -0.55 0.00 0.00 175.29 175.38 1bt9 s TYR 157 N 1.20 3.07 -0.27 1.67 2.02 -0.18 -0.85 117.35 124.01 1bt9 s TYR 157 Ca -0.09 -0.38 -0.06 0.00 -0.37 0.00 0.00 57.07 56.17 1bt9 s TYR 157 Cb -0.11 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.35 1bt9 s TYR 157 CO -0.07 -0.21 0.04 -1.17 -1.57 0.00 0.00 175.55 172.58 1bt9 s LEU 158 N 1.01 3.56 0.34 -1.29 2.96 -0.47 -1.85 118.68 122.94 1bt9 s LEU 158 Ca 0.02 -0.60 -0.19 0.00 -0.22 0.00 0.00 54.13 53.15 1bt9 s LEU 158 Cb -0.14 -1.84 -0.10 0.00 0.50 0.00 0.00 46.19 44.61 1bt9 s LEU 158 CO 0.02 -0.13 0.82 -0.83 -1.32 0.00 0.00 176.35 174.90 1bt9 s GLY 159 N 1.50 2.44 0.29 7.98 0.00 -1.21 -0.34 107.32 117.97 1bt9 s GLY 159 Ca 0.03 0.21 -0.29 0.00 0.00 0.00 0.00 44.72 44.68 1bt9 s GLY 159 CO 0.01 0.49 1.17 1.17 0.00 0.00 0.00 173.10 175.93 1bt9 n LYS 160 N -0.16 1.67 -3.58 2.90 4.81 -1.23 -4.66 118.16 117.90 1bt9 n LYS 160 Ca 0.03 0.59 -0.29 0.00 -0.87 0.00 0.00 58.31 57.77 1bt9 n LYS 160 Cb 0.53 -2.07 -0.12 0.00 0.02 0.00 0.00 35.03 33.38 1bt9 n LYS 160 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1bt9 s ASN 161 N -0.31 3.19 -0.98 3.14 0.01 0.63 -4.93 114.94 115.69 1bt9 s ASN 161 Ca 0.60 -2.51 -0.24 0.00 -0.71 0.00 0.00 52.86 50.01 1bt9 s ASN 161 Cb -0.67 -0.72 0.01 0.00 0.41 0.00 0.00 41.25 40.28 1bt9 s ASN 161 CO 0.58 -0.27 1.65 -1.61 -1.51 0.00 0.00 177.10 175.94 1bt9 s GLU 162 N 0.59 3.18 0.71 -0.60 2.02 -1.26 -1.94 118.70 121.39 1bt9 s GLU 162 Ca 0.19 -0.80 -0.04 0.00 0.02 0.00 0.00 54.97 54.35 1bt9 s GLU 162 Cb -0.21 -5.24 0.09 0.00 0.10 0.00 0.00 34.13 28.87 1bt9 s GLU 162 CO -0.02 -2.68 0.99 1.03 0.02 0.00 0.00 175.26 174.61 1bt9 s ARG 163 N 5.78 1.91 0.47 1.61 0.52 -1.26 -4.98 118.95 122.99 1bt9 s ARG 163 Ca 0.56 -0.69 0.14 0.00 -0.52 0.00 0.00 55.73 55.22 1bt9 s ARG 163 Cb -0.03 -2.26 1.07 0.00 0.52 0.00 0.00 34.95 34.26 1bt9 s ARG 163 CO -0.06 -1.34 2.05 -0.44 0.02 0.00 0.00 175.30 175.53 1bt9 h ASP 164 N -0.55 0.07 -3.75 0.23 3.32 -1.94 -3.44 116.42 110.36 1bt9 h ASP 164 Ca -0.41 -0.01 -0.68 0.00 0.02 0.00 0.00 57.03 55.95 1bt9 h ASP 164 Cb 1.29 -0.02 -0.27 0.00 0.22 0.00 0.00 39.33 40.55 1bt9 h ASP 164 CO 0.49 0.15 -0.80 -0.89 -1.72 0.00 0.00 179.24 176.47 1bt9 s THR 165 N -4.90 2.78 0.25 0.35 2.01 -1.26 -5.02 115.64 109.85 1bt9 s THR 165 Ca -0.05 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.11 1bt9 s THR 165 Cb 0.16 -2.10 0.19 0.00 0.01 0.00 0.00 72.50 70.76 1bt9 s THR 165 CO 0.69 0.56 1.84 0.00 -0.69 0.00 0.00 174.62 177.02 1bt9 h ALA 166 N 6.05 1.18 -0.52 7.40 0.00 -1.87 -1.56 119.26 129.93 1bt9 h ALA 166 Ca -0.34 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.55 1bt9 h ALA 166 Cb 1.18 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1bt9 h ALA 166 CO 0.51 0.61 0.39 -0.09 0.00 0.00 0.00 179.25 180.68 1bt9 h ARG 167 N 1.08 0.00 -0.02 0.00 9.65 -1.95 -3.06 114.38 120.07 1bt9 h ARG 167 Ca 0.26 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.14 1bt9 h ARG 167 Cb 0.14 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1bt9 h ARG 167 CO -0.03 0.00 0.00 0.54 2.80 0.00 0.00 179.97 183.28 1bt9 n ARG 168 N -4.31 1.55 -3.01 0.20 5.12 -0.60 -4.79 116.66 110.82 1bt9 n ARG 168 Ca 0.10 -2.51 -0.20 0.00 -1.93 0.00 0.00 57.85 53.30 1bt9 n ARG 168 Cb 0.61 -1.49 0.06 0.00 -1.16 0.00 0.00 32.46 30.49 1bt9 n ARG 168 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1bt9 s SER 169 N -2.65 5.07 -0.21 0.55 0.01 -1.11 -4.74 113.70 110.62 1bt9 s SER 169 Ca 0.30 -0.81 -0.29 0.00 1.31 0.00 0.00 55.95 56.46 1bt9 s SER 169 Cb 0.26 0.26 0.15 0.00 0.21 0.00 0.00 66.02 66.91 1bt9 s SER 169 CO 0.03 -1.36 1.13 0.54 0.41 0.00 0.00 173.24 173.99 1bt9 s ASN 170 N -4.66 -0.26 0.22 2.44 4.22 -0.82 -4.73 114.94 111.35 1bt9 s ASN 170 Ca 0.62 0.30 0.00 0.00 -2.14 0.00 0.00 52.86 51.64 1bt9 s ASN 170 Cb -0.06 0.24 0.00 0.00 1.28 0.00 0.00 41.25 42.71 1bt9 s ASN 170 CO 0.39 -0.22 0.00 0.61 -2.04 0.00 0.00 177.10 175.84 1bt9 n GLY 171 N 0.77 0.83 3.79 0.45 0.00 0.14 -0.27 105.19 110.90 1bt9 n GLY 171 Ca -0.07 -1.93 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 1bt9 n GLY 171 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bt9 s ASP 172 N -1.00 7.10 0.23 1.61 1.01 -1.26 -3.53 116.67 120.83 1bt9 s ASP 172 Ca 0.00 1.82 -0.14 0.00 0.71 0.00 0.00 52.55 54.93 1bt9 s ASP 172 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1bt9 s ASP 172 CO 0.00 -0.24 0.50 -0.83 0.21 0.00 0.00 175.17 174.81 1bt9 s GLY 173 N -1.80 0.33 0.04 0.21 0.00 0.53 -0.90 107.32 105.73 1bt9 s GLY 173 Ca 0.56 -0.68 0.03 0.00 0.00 0.00 0.00 44.72 44.62 1bt9 s GLY 173 CO 0.21 -0.51 -0.09 0.14 0.00 0.00 0.00 173.10 172.85 1bt9 s VAL 174 N -3.97 0.69 0.19 1.40 1.01 -0.43 -1.37 120.40 117.92 1bt9 s VAL 174 Ca 0.18 -0.97 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 1bt9 s VAL 174 Cb -0.01 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.68 1bt9 s VAL 174 CO 0.06 -0.23 0.42 -0.83 0.00 0.00 0.00 175.10 174.52 1bt9 s GLY 175 N -1.32 0.24 0.23 4.51 0.00 -0.03 -1.60 107.32 109.35 1bt9 s GLY 175 Ca -0.05 -0.59 -0.19 0.00 0.00 0.00 0.00 44.72 43.88 1bt9 s GLY 175 CO 0.01 -0.55 0.61 -0.32 0.00 0.00 0.00 173.10 172.84 1bt9 s GLY 176 N -2.93 -0.06 -0.11 0.20 0.00 0.20 -0.31 107.32 104.31 1bt9 s GLY 176 Ca 0.14 -0.27 -0.11 0.00 0.00 0.00 0.00 44.72 44.48 1bt9 s GLY 176 CO 0.00 -0.20 0.31 -1.35 0.00 0.00 0.00 173.10 171.87 1bt9 s SER 177 N -2.90 -0.32 0.07 1.64 1.04 -0.46 -0.57 113.70 112.21 1bt9 s SER 177 Ca 0.11 0.60 0.09 0.00 0.48 0.00 0.00 55.95 57.23 1bt9 s SER 177 Cb -0.03 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 1bt9 s SER 177 CO 0.02 -0.13 -0.24 -0.63 0.98 0.00 0.00 173.24 173.25 1bt9 s ILE 178 N 0.09 1.92 -0.14 -1.02 1.01 0.27 -1.66 121.20 121.67 1bt9 s ILE 178 Ca -0.01 -1.44 -0.23 0.00 0.00 0.00 0.00 60.65 58.98 1bt9 s ILE 178 Cb -0.02 -1.69 0.06 0.00 0.01 0.00 0.00 42.46 40.82 1bt9 s ILE 178 CO 0.01 0.17 0.57 -0.94 0.00 0.00 0.00 174.94 174.75 1bt9 s SER 179 N -1.52 -0.56 -0.04 3.58 1.04 -0.72 -0.39 113.70 115.09 1bt9 s SER 179 Ca 0.10 0.87 0.02 0.00 0.48 0.00 0.00 55.95 57.42 1bt9 s SER 179 Cb -0.10 0.87 0.01 0.00 0.10 0.00 0.00 66.02 66.90 1bt9 s SER 179 CO 0.03 -0.36 -0.08 -0.47 0.98 0.00 0.00 173.24 173.34 1bt9 s TYR 180 N -0.38 0.99 0.02 5.02 5.04 0.29 -1.12 117.35 127.21 1bt9 s TYR 180 Ca -0.05 -0.28 0.06 0.00 -2.44 0.00 0.00 57.07 54.36 1bt9 s TYR 180 Cb -0.03 -0.74 -0.02 0.00 0.35 0.00 0.00 41.96 41.51 1bt9 s TYR 180 CO 0.04 -0.15 -0.19 -1.21 -1.34 0.00 0.00 175.55 172.70 1bt9 s GLU 181 N 0.46 1.37 -0.30 4.97 2.02 -0.90 0.61 118.70 126.92 1bt9 s GLU 181 Ca -0.08 -0.81 -0.03 0.00 0.02 0.00 0.00 54.97 54.08 1bt9 s GLU 181 Cb -0.11 -1.41 0.19 0.00 0.10 0.00 0.00 34.13 32.90 1bt9 s GLU 181 CO 0.01 0.37 0.65 -0.47 0.02 0.00 0.00 175.26 175.83 1bt9 s TYR 182 N -0.66 -1.49 -1.29 1.61 5.04 0.95 -4.66 117.35 116.84 1bt9 s TYR 182 Ca 0.07 1.64 -0.04 0.00 -2.44 0.00 0.00 57.07 56.30 1bt9 s TYR 182 Cb -0.08 0.55 0.01 0.00 0.35 0.00 0.00 41.96 42.79 1bt9 s TYR 182 CO 0.01 -0.81 1.01 -1.91 -1.34 0.00 0.00 175.55 172.51 1bt9 n GLU 183 N 5.43 -6.73 0.00 4.97 2.13 -1.26 -1.72 120.64 123.47 1bt9 n GLU 183 Ca -0.02 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.59 1bt9 n GLU 183 Cb 0.51 -5.75 0.00 0.00 0.27 0.00 0.00 31.44 26.47 1bt9 n GLU 183 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bt9 n GLY 184 N -1.50 2.38 3.85 8.31 0.00 -1.26 -4.97 105.19 111.99 1bt9 n GLY 184 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1bt9 n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bt9 s PHE 185 N -2.33 3.67 -0.04 1.61 0.40 -0.70 -1.70 117.98 118.90 1bt9 s PHE 185 Ca 0.00 0.80 0.02 0.00 -0.60 0.00 0.00 56.93 57.15 1bt9 s PHE 185 Cb 0.00 -2.14 0.01 0.00 0.51 0.00 0.00 43.02 41.40 1bt9 s PHE 185 CO 0.00 0.68 -0.06 0.20 0.70 0.00 0.00 175.22 176.74 1bt9 s GLY 186 N -1.08 0.48 0.02 4.36 0.00 -0.29 -0.04 107.32 110.77 1bt9 s GLY 186 Ca 0.21 -0.17 0.05 0.00 0.00 0.00 0.00 44.72 44.81 1bt9 s GLY 186 CO 0.10 0.20 -0.16 -1.50 0.00 0.00 0.00 173.10 171.74 1bt9 s ILE 187 N 0.58 1.29 0.03 0.90 2.07 0.20 -1.50 121.20 124.77 1bt9 s ILE 187 Ca -0.08 -0.92 -0.00 0.00 -1.41 0.00 0.00 60.65 58.24 1bt9 s ILE 187 Cb -0.12 -1.12 -0.03 0.00 0.13 0.00 0.00 42.46 41.33 1bt9 s ILE 187 CO 0.01 0.19 -0.03 -0.69 -1.91 0.00 0.00 174.94 172.50 1bt9 s VAL 188 N -0.65 0.17 -0.01 4.00 1.01 -0.42 -0.55 120.40 123.95 1bt9 s VAL 188 Ca 0.05 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 60.90 1bt9 s VAL 188 Cb -0.07 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1bt9 s VAL 188 CO 0.01 -0.61 -0.05 -0.83 0.00 0.00 0.00 175.10 173.62 1bt9 s GLY 189 N -1.83 0.27 0.04 4.51 0.00 0.47 -1.28 107.32 109.51 1bt9 s GLY 189 Ca -0.10 -0.17 0.02 0.00 0.00 0.00 0.00 44.72 44.47 1bt9 s GLY 189 CO -0.03 -0.05 -0.07 0.00 0.00 0.00 0.00 173.10 172.95 1bt9 s ALA 190 N 0.09 0.49 -0.24 3.20 0.00 -0.82 -0.57 121.76 123.92 1bt9 s ALA 190 Ca -0.01 -0.75 -0.17 0.00 0.00 0.00 0.00 51.96 51.03 1bt9 s ALA 190 Cb -0.04 0.07 0.07 0.00 0.00 0.00 0.00 23.12 23.21 1bt9 s ALA 190 CO -0.00 -0.06 0.61 -0.47 0.00 0.00 0.00 175.76 175.84 1bt9 s TYR 191 N -1.48 -0.81 0.02 0.00 5.04 0.26 -2.58 117.35 117.80 1bt9 s TYR 191 Ca -0.10 1.78 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 1bt9 s TYR 191 Cb -0.09 0.39 -0.02 0.00 0.35 0.00 0.00 41.96 42.58 1bt9 s TYR 191 CO -0.00 -0.41 -0.03 0.20 -1.34 0.00 0.00 175.55 173.97 1bt9 s GLY 192 N 1.00 0.27 0.05 8.97 0.00 -0.80 -0.63 107.32 116.19 1bt9 s GLY 192 Ca -0.05 -0.64 0.03 0.00 0.00 0.00 0.00 44.72 44.06 1bt9 s GLY 192 CO -0.09 -0.71 -0.09 0.00 0.00 0.00 0.00 173.10 172.22 1bt9 s ALA 193 N -1.59 0.71 0.10 3.20 0.00 -0.63 -1.83 121.76 121.73 1bt9 s ALA 193 Ca -0.14 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 1bt9 s ALA 193 Cb -0.09 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 1bt9 s ALA 193 CO -0.01 -0.02 0.21 0.00 0.00 0.00 0.00 175.76 175.93 1bt9 s ALA 194 N -1.64 -0.16 0.39 0.00 0.00 -0.16 -1.31 121.76 118.88 1bt9 s ALA 194 Ca -0.06 -0.68 -0.23 0.00 0.00 0.00 0.00 51.96 50.98 1bt9 s ALA 194 Cb -0.08 0.57 -0.10 0.00 0.00 0.00 0.00 23.12 23.51 1bt9 s ALA 194 CO 0.00 -0.54 0.99 -0.51 0.00 0.00 0.00 175.76 175.71 1bt9 s ASP 195 N -2.88 6.94 0.03 0.00 1.01 -0.08 0.32 116.67 122.01 1bt9 s ASP 195 Ca 0.08 1.87 -0.12 0.00 0.71 0.00 0.00 52.55 55.09 1bt9 s ASP 195 Cb 0.05 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.35 1bt9 s ASP 195 CO -0.09 -0.36 0.39 -0.13 0.21 0.00 0.00 175.17 175.20 1bt9 s ARG 196 N -2.62 3.83 0.68 8.23 0.52 -1.15 0.26 118.95 128.70 1bt9 s ARG 196 Ca 0.58 0.29 -0.12 0.00 -0.52 0.00 0.00 55.73 55.96 1bt9 s ARG 196 Cb -0.17 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.18 1bt9 s ARG 196 CO 0.22 0.64 1.06 0.95 0.02 0.00 0.00 175.30 178.19 1bt9 s THR 197 N -1.22 3.94 0.23 0.02 -4.23 -1.26 -4.72 115.64 108.41 1bt9 s THR 197 Ca 0.27 0.68 -0.10 0.00 -1.18 0.00 0.00 61.69 61.36 1bt9 s THR 197 Cb -0.15 -3.37 0.29 0.00 1.34 0.00 0.00 72.50 70.61 1bt9 s THR 197 CO 0.15 -0.77 1.61 0.78 -0.54 0.00 0.00 174.62 175.85 1bt9 h ASN 198 N -0.52 -0.59 -0.61 3.99 4.21 -1.99 0.10 115.58 120.18 1bt9 h ASN 198 Ca -0.44 0.21 -0.01 0.00 1.21 0.00 0.00 56.30 57.27 1bt9 h ASN 198 Cb 1.21 0.42 -0.03 0.00 -1.12 0.00 0.00 38.32 38.81 1bt9 h ASN 198 CO 0.57 -0.23 0.35 0.25 -1.29 0.00 0.00 177.43 177.07 1bt9 h LEU 199 N 0.03 0.77 0.29 1.61 5.85 -1.99 -0.92 115.31 120.95 1bt9 h LEU 199 Ca 0.37 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1bt9 h LEU 199 Cb 0.60 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1bt9 h LEU 199 CO -0.73 0.62 -0.27 1.56 -0.34 0.00 0.00 178.44 179.29 1bt9 h GLN 200 N 0.88 -0.56 -0.25 1.25 4.20 -1.13 -2.51 115.11 117.00 1bt9 h GLN 200 Ca 0.22 0.04 0.07 0.00 0.06 0.00 0.00 58.65 59.04 1bt9 h GLN 200 Cb 0.02 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1bt9 h GLN 200 CO -0.04 -0.37 0.20 0.93 -0.67 0.00 0.00 178.83 178.88 1bt9 h GLU 201 N -0.58 0.00 0.00 1.46 5.08 -0.60 -0.09 114.58 119.85 1bt9 h GLU 201 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1bt9 h GLU 201 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1bt9 h GLU 201 CO -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.97 1bt9 n ALA 202 N -2.53 1.72 -1.77 3.43 0.00 -0.45 -4.83 120.51 116.09 1bt9 n ALA 202 Ca 0.03 0.04 -0.40 0.00 0.00 0.00 0.00 53.44 53.11 1bt9 n ALA 202 Cb 0.35 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 1bt9 n ALA 202 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1bt9 s GLN 203 N -3.22 4.38 0.50 0.00 -1.52 -0.05 -4.93 119.66 114.82 1bt9 s GLN 203 Ca 0.06 1.97 0.17 0.00 -1.95 0.00 0.00 55.36 55.60 1bt9 s GLN 203 Cb 0.10 -3.01 1.23 0.00 -0.22 0.00 0.00 33.01 31.12 1bt9 s GLN 203 CO 0.38 -0.08 2.10 -1.35 -0.25 0.00 0.00 175.29 176.08 1bt9 h PRO 204 N 3.33 0.09 -5.27 2.91 0.11 -1.88 -3.40 132.00 127.89 1bt9 h PRO 204 Ca -0.48 -0.01 -0.61 0.00 0.11 0.00 0.00 66.00 65.01 1bt9 h PRO 204 Cb 1.22 -0.02 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 1bt9 h PRO 204 CO 0.65 0.06 -0.36 -0.51 -0.21 0.00 0.00 178.00 177.63 1bt9 s LEU 205 N -9.07 4.15 0.00 2.35 1.43 -1.23 -4.95 118.68 111.36 1bt9 s LEU 205 Ca -0.06 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1bt9 s LEU 205 Cb 0.18 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1bt9 s LEU 205 CO 0.70 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.90 1bt9 n GLY 206 N 4.03 -0.03 3.03 -3.19 0.00 -1.21 -2.25 105.19 105.57 1bt9 n GLY 206 Ca -0.12 -1.34 -0.24 0.00 0.00 0.00 0.00 46.02 44.33 1bt9 n GLY 206 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bt9 s ASN 207 N -0.63 1.67 0.00 1.61 2.47 -1.26 -4.90 114.94 113.91 1bt9 s ASN 207 Ca 0.00 -0.28 0.00 0.00 0.42 0.00 0.00 52.86 53.00 1bt9 s ASN 207 Cb 0.00 -0.68 0.00 0.00 -1.45 0.00 0.00 41.25 39.12 1bt9 s ASN 207 CO 0.00 0.05 0.00 0.61 -3.72 0.00 0.00 177.10 174.04 1bt9 n GLY 208 N 3.65 2.21 0.00 1.21 0.00 -1.26 -4.93 105.19 106.06 1bt9 n GLY 208 Ca -0.22 -1.06 0.07 0.00 0.00 0.00 0.00 46.02 44.82 1bt9 n GLY 208 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bt9 n LYS 209 N -0.98 1.96 -4.16 1.61 5.02 -1.26 -4.83 118.16 115.53 1bt9 n LYS 209 Ca 0.00 -0.01 -0.16 0.00 -2.02 0.00 0.00 58.31 56.12 1bt9 n LYS 209 Cb 0.00 -1.21 -0.13 0.00 -0.02 0.00 0.00 35.03 33.67 1bt9 n LYS 209 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1bt9 s LYS 210 N -2.46 0.61 -0.30 1.97 1.02 -1.26 -2.91 119.74 116.42 1bt9 s LYS 210 Ca 0.05 -0.64 -0.08 0.00 0.02 0.00 0.00 55.97 55.32 1bt9 s LYS 210 Cb 0.11 -0.50 0.00 0.00 -0.52 0.00 0.00 37.83 36.92 1bt9 s LYS 210 CO 0.61 0.11 0.10 0.00 -0.92 0.00 0.00 175.35 175.26 1bt9 s ALA 211 N -0.96 3.14 0.16 5.17 0.00 0.15 -4.57 121.76 124.85 1bt9 s ALA 211 Ca -0.04 -1.42 0.10 0.00 0.00 0.00 0.00 51.96 50.60 1bt9 s ALA 211 Cb -0.08 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 1bt9 s ALA 211 CO 0.01 -0.90 -0.19 -1.21 0.00 0.00 0.00 175.76 173.47 1bt9 s GLU 212 N 1.54 1.72 -0.14 0.00 2.02 -0.34 -0.99 118.70 122.50 1bt9 s GLU 212 Ca 0.03 -1.34 -0.09 0.00 0.02 0.00 0.00 54.97 53.59 1bt9 s GLU 212 Cb -0.17 -2.01 0.05 0.00 0.10 0.00 0.00 34.13 32.10 1bt9 s GLU 212 CO 0.04 0.44 0.35 -0.65 0.02 0.00 0.00 175.26 175.46 1bt9 s GLN 213 N -2.48 0.36 0.13 1.61 -0.21 -0.76 -0.94 119.66 117.37 1bt9 s GLN 213 Ca 0.20 0.63 -0.04 0.00 0.02 0.00 0.00 55.36 56.17 1bt9 s GLN 213 Cb -0.09 0.03 -0.03 0.00 1.00 0.00 0.00 33.01 33.92 1bt9 s GLN 213 CO 0.11 -0.12 0.14 1.67 -2.12 0.00 0.00 175.29 174.96 1bt9 s TRP 214 N 0.95 0.63 -0.04 0.91 1.48 0.03 -1.90 118.94 121.00 1bt9 s TRP 214 Ca -0.06 -1.02 -0.30 0.00 -1.06 0.00 0.00 56.10 53.66 1bt9 s TRP 214 Cb -0.07 -0.30 0.08 0.00 -1.16 0.00 0.00 33.47 32.02 1bt9 s TRP 214 CO -0.07 -0.58 0.72 0.00 -4.06 0.00 0.00 176.95 172.95 1bt9 s ALA 215 N -4.00 -1.78 0.14 2.67 0.00 -1.07 -1.58 121.76 116.15 1bt9 s ALA 215 Ca 0.19 1.27 0.09 0.00 0.00 0.00 0.00 51.96 53.52 1bt9 s ALA 215 Cb 0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1bt9 s ALA 215 CO -0.00 -0.41 -0.22 0.99 0.00 0.00 0.00 175.76 176.12 1bt9 s THR 216 N -1.45 1.95 -0.02 0.00 2.01 0.19 -1.94 115.64 116.39 1bt9 s THR 216 Ca -0.08 -1.77 -0.04 0.00 0.31 0.00 0.00 61.69 60.10 1bt9 s THR 216 Cb -0.00 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.69 1bt9 s THR 216 CO 0.06 -0.11 0.10 -0.83 -0.69 0.00 0.00 174.62 173.15 1bt9 s GLY 217 N -2.28 0.02 -0.00 4.40 0.00 -0.40 -2.09 107.32 106.96 1bt9 s GLY 217 Ca 0.13 -0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.86 1bt9 s GLY 217 CO 0.06 -0.09 -0.04 -2.27 0.00 0.00 0.00 173.10 170.77 1bt9 s LEU 218 N -0.72 2.01 -0.19 0.66 1.98 -0.79 -1.30 118.68 120.33 1bt9 s LEU 218 Ca -0.08 -0.08 -0.26 0.00 -2.89 0.00 0.00 54.13 50.82 1bt9 s LEU 218 Cb -0.05 -0.19 0.07 0.00 0.66 0.00 0.00 46.19 46.68 1bt9 s LEU 218 CO 0.00 0.04 0.68 -1.59 -1.89 0.00 0.00 176.35 173.59 1bt9 s LYS 219 N -0.12 0.88 -0.19 1.98 -2.85 -0.56 -0.99 119.74 117.89 1bt9 s LYS 219 Ca 0.01 0.72 -0.00 0.00 -1.00 0.00 0.00 55.97 55.70 1bt9 s LYS 219 Cb -0.02 0.42 0.02 0.00 -2.06 0.00 0.00 37.83 36.19 1bt9 s LYS 219 CO -0.00 -0.17 -0.16 -0.47 0.10 0.00 0.00 175.35 174.65 1bt9 s TYR 220 N -0.15 2.83 -0.42 1.78 5.04 -0.47 -1.13 117.35 124.82 1bt9 s TYR 220 Ca -0.04 -1.52 0.05 0.00 -2.44 0.00 0.00 57.07 53.13 1bt9 s TYR 220 Cb -0.03 -1.96 0.19 0.00 0.35 0.00 0.00 41.96 40.50 1bt9 s TYR 220 CO 0.04 -0.76 0.43 -3.47 -1.34 0.00 0.00 175.55 170.45 1bt9 n ASP 221 N 4.65 -0.76 -3.55 4.32 -0.08 -0.69 -0.86 116.55 119.59 1bt9 n ASP 221 Ca -0.20 -2.51 -0.10 0.00 -1.51 0.00 0.00 54.79 50.46 1bt9 n ASP 221 Cb 0.50 -0.25 -0.02 0.00 2.34 0.00 0.00 41.12 43.69 1bt9 n ASP 221 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bt9 s ALA 222 N -0.07 -1.53 -1.40 -1.67 0.00 -1.18 -4.71 121.76 111.21 1bt9 s ALA 222 Ca 0.33 0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.59 1bt9 s ALA 222 Cb 0.07 0.83 0.02 0.00 0.00 0.00 0.00 23.12 24.04 1bt9 s ALA 222 CO -0.17 -0.84 0.59 0.09 0.00 0.00 0.00 175.76 175.43 1bt9 n ASN 223 N -0.39 -1.16 0.00 0.00 3.02 -1.26 -1.68 115.26 113.79 1bt9 n ASN 223 Ca -0.13 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1bt9 n ASN 223 Cb 0.63 -3.46 0.00 0.00 -0.61 0.00 0.00 39.78 36.34 1bt9 n ASN 223 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bt9 n ASN 224 N -2.98 -4.01 -4.69 6.41 4.13 -1.26 -4.94 115.26 107.91 1bt9 n ASN 224 Ca -0.25 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 55.71 1bt9 n ASN 224 Cb 0.66 -2.81 -0.08 0.00 -1.54 0.00 0.00 39.78 36.01 1bt9 n ASN 224 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1bt9 s ILE 225 N -0.83 4.04 -0.20 2.41 1.01 -0.68 -1.37 121.20 125.58 1bt9 s ILE 225 Ca 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 1bt9 s ILE 225 Cb 0.00 -2.93 0.06 0.00 0.01 0.00 0.00 42.46 39.60 1bt9 s ILE 225 CO 0.00 0.11 0.06 -0.47 0.00 0.00 0.00 174.94 174.64 1bt9 s TYR 226 N -1.34 0.70 -0.01 3.97 5.04 0.21 -3.10 117.35 122.83 1bt9 s TYR 226 Ca 0.26 -0.69 0.08 0.00 -2.44 0.00 0.00 57.07 54.27 1bt9 s TYR 226 Cb -0.12 -0.92 -0.02 0.00 0.35 0.00 0.00 41.96 41.25 1bt9 s TYR 226 CO 0.19 -0.60 -0.24 -0.51 -1.34 0.00 0.00 175.55 173.04 1bt9 s LEU 227 N 1.97 2.05 -0.12 6.97 1.43 -0.04 -0.37 118.68 130.57 1bt9 s LEU 227 Ca 0.01 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 1bt9 s LEU 227 Cb -0.17 -1.26 0.05 0.00 0.03 0.00 0.00 46.19 44.84 1bt9 s LEU 227 CO -0.11 0.30 0.49 0.00 0.23 0.00 0.00 176.35 177.26 1bt9 s ALA 228 N -0.59 -1.24 -0.01 4.21 0.00 0.64 -1.37 121.76 123.40 1bt9 s ALA 228 Ca 0.09 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1bt9 s ALA 228 Cb -0.09 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.57 1bt9 s ALA 228 CO -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 175.76 175.48 1bt9 s ALA 229 N -0.37 0.15 0.09 0.00 0.00 -0.16 -0.26 121.76 121.22 1bt9 s ALA 229 Ca -0.05 0.05 0.10 0.00 0.00 0.00 0.00 51.96 52.06 1bt9 s ALA 229 Cb -0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1bt9 s ALA 229 CO 0.03 -0.02 -0.25 -0.80 0.00 0.00 0.00 175.76 174.73 1bt9 s ASN 230 N 0.38 3.02 -0.07 0.00 0.02 0.10 -1.88 114.94 116.52 1bt9 s ASN 230 Ca -0.03 -0.67 -0.03 0.00 -1.02 0.00 0.00 52.86 51.11 1bt9 s ASN 230 Cb -0.06 -0.22 0.04 0.00 0.02 0.00 0.00 41.25 41.04 1bt9 s ASN 230 CO -0.01 0.18 0.15 -0.47 0.02 0.00 0.00 177.10 176.97 1bt9 s TYR 231 N -0.98 -0.16 0.16 2.20 5.04 -0.89 -1.70 117.35 121.02 1bt9 s TYR 231 Ca 0.11 0.54 -0.11 0.00 -2.44 0.00 0.00 57.07 55.16 1bt9 s TYR 231 Cb -0.10 -0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.04 1bt9 s TYR 231 CO 0.04 -0.22 0.33 0.20 -1.34 0.00 0.00 175.55 174.56 1bt9 s GLY 232 N 1.73 0.24 0.06 8.97 0.00 -0.19 0.54 107.32 118.69 1bt9 s GLY 232 Ca -0.03 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1bt9 s GLY 232 CO -0.06 -0.67 -0.04 -0.54 0.00 0.00 0.00 173.10 171.79 1bt9 s GLU 233 N -3.92 0.65 -0.03 2.90 2.02 -0.62 0.44 118.70 120.14 1bt9 s GLU 233 Ca 0.13 -1.17 -0.07 0.00 0.02 0.00 0.00 54.97 53.87 1bt9 s GLU 233 Cb 0.03 0.04 0.01 0.00 0.10 0.00 0.00 34.13 34.31 1bt9 s GLU 233 CO -0.03 -0.07 0.17 0.95 0.02 0.00 0.00 175.26 176.30 1bt9 s THR 234 N -3.46 0.04 -0.06 3.63 -4.23 -1.09 -0.79 115.64 109.67 1bt9 s THR 234 Ca 0.05 -0.33 0.04 0.00 -1.18 0.00 0.00 61.69 60.28 1bt9 s THR 234 Cb 0.05 -0.36 -0.00 0.00 1.34 0.00 0.00 72.50 73.53 1bt9 s THR 234 CO -0.07 -0.18 -0.20 -0.13 -0.54 0.00 0.00 174.62 173.50 1bt9 s ARG 235 N -0.63 2.24 -1.46 3.99 1.81 -0.12 -1.71 118.95 123.07 1bt9 s ARG 235 Ca -0.07 -0.72 -0.19 0.00 -1.72 0.00 0.00 55.73 53.03 1bt9 s ARG 235 Cb -0.04 -1.85 0.19 0.00 -0.45 0.00 0.00 34.95 32.79 1bt9 s ARG 235 CO 0.01 0.24 0.46 0.09 -0.68 0.00 0.00 175.30 175.42 1bt9 n ASN 236 N 3.26 -1.51 0.00 0.23 3.02 -0.43 -1.20 115.26 118.63 1bt9 n ASN 236 Ca -0.19 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 1bt9 n ASN 236 Cb 0.53 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 1bt9 n ASN 236 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bt9 n ALA 237 N -3.43 2.44 -1.85 5.41 0.00 -1.25 -4.80 120.51 117.03 1bt9 n ALA 237 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 1bt9 n ALA 237 Cb 0.40 0.49 -0.03 0.00 0.00 0.00 0.00 19.45 20.31 1bt9 n ALA 237 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1bt9 s THR 238 N -1.99 2.92 0.12 0.00 2.01 -1.26 -4.84 115.64 112.59 1bt9 s THR 238 Ca 0.00 0.33 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 1bt9 s THR 238 Cb 0.00 -3.21 -0.06 0.00 0.01 0.00 0.00 72.50 69.23 1bt9 s THR 238 CO 0.00 -0.01 1.12 -2.16 -0.69 0.00 0.00 174.62 172.89 1bt9 s PRO 239 N 2.91 4.53 0.06 4.92 0.04 -1.26 0.08 135.00 146.28 1bt9 s PRO 239 Ca 0.77 1.71 0.05 0.00 0.04 0.00 0.00 61.00 63.57 1bt9 s PRO 239 Cb -0.41 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 1bt9 s PRO 239 CO 0.34 -0.06 -0.14 0.96 0.04 0.00 0.00 177.00 178.15 1bt9 s ILE 240 N 0.36 1.06 -0.03 0.56 -4.36 0.85 -4.82 121.20 114.83 1bt9 s ILE 240 Ca 0.53 -1.17 0.04 0.00 -0.26 0.00 0.00 60.65 59.79 1bt9 s ILE 240 Cb -0.29 -1.00 -0.01 0.00 1.25 0.00 0.00 42.46 42.41 1bt9 s ILE 240 CO 0.32 -0.16 -0.15 -0.89 0.24 0.00 0.00 174.94 174.30 1bt9 s THR 241 N -1.13 1.24 -0.72 8.37 2.01 -1.26 -1.75 115.64 122.39 1bt9 s THR 241 Ca -0.01 -0.64 -0.17 0.00 0.31 0.00 0.00 61.69 61.17 1bt9 s THR 241 Cb -0.09 -1.05 0.14 0.00 0.01 0.00 0.00 72.50 71.50 1bt9 s THR 241 CO 0.02 0.36 0.80 0.21 -0.69 0.00 0.00 174.62 175.32 1bt9 s ASN 242 N -0.11 6.43 0.48 3.53 3.84 -0.41 -4.81 114.94 123.90 1bt9 s ASN 242 Ca 0.01 -1.91 0.13 0.00 0.21 0.00 0.00 52.86 51.30 1bt9 s ASN 242 Cb -0.09 -2.30 1.13 0.00 -0.55 0.00 0.00 41.25 39.45 1bt9 s ASN 242 CO 0.01 -0.95 2.12 0.11 -2.79 0.00 0.00 177.10 175.59 1bt9 h LYS 243 N 8.74 0.17 0.74 0.43 1.57 -1.58 1.54 116.57 128.17 1bt9 h LYS 243 Ca -0.09 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1bt9 h LYS 243 Cb 1.06 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1bt9 h LYS 243 CO 1.01 0.12 -0.39 0.74 -0.57 0.00 0.00 179.45 180.36 1bt9 h PHE 244 N 0.17 -1.02 0.00 -1.35 0.04 -1.93 -3.18 116.94 109.67 1bt9 h PHE 244 Ca 0.05 -0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.60 1bt9 h PHE 244 Cb -0.01 0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 1bt9 h PHE 244 CO 0.00 -0.61 -0.95 1.79 -0.60 0.00 0.00 178.31 177.94 1bt9 h THR 245 N -1.04 1.66 -0.03 -1.55 1.35 -1.88 -3.48 112.91 107.94 1bt9 h THR 245 Ca -0.10 -3.27 -0.01 0.00 -0.55 0.00 0.00 66.41 62.48 1bt9 h THR 245 Cb 0.82 2.77 -0.01 0.00 -1.73 0.00 0.00 68.15 70.00 1bt9 h THR 245 CO 0.14 0.93 -0.01 0.59 -0.25 0.00 0.00 175.52 176.91 1bt9 n ASN 246 N -3.38 -3.52 -4.62 5.36 3.02 0.52 -5.02 115.26 107.61 1bt9 n ASN 246 Ca -0.00 0.02 -0.29 0.00 -0.03 0.00 0.00 54.58 54.28 1bt9 n ASN 246 Cb 0.90 -1.08 0.16 0.00 -0.61 0.00 0.00 39.78 39.15 1bt9 n ASN 246 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1bt9 s THR 247 N -1.88 1.96 0.06 3.41 -4.23 -1.18 -4.78 115.64 108.99 1bt9 s THR 247 Ca 0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.25 1bt9 s THR 247 Cb 0.00 -2.68 0.08 0.00 1.34 0.00 0.00 72.50 71.25 1bt9 s THR 247 CO 0.00 0.00 0.73 -0.44 -0.54 0.00 0.00 174.62 174.37 1bt9 s SER 248 N -3.93 -0.50 0.00 3.99 0.01 -1.26 -1.28 113.70 110.72 1bt9 s SER 248 Ca 0.66 0.12 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1bt9 s SER 248 Cb -0.14 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1bt9 s SER 248 CO 0.55 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1bt9 n GLY 249 N -0.10 -0.55 3.54 3.44 0.00 -0.72 -3.50 105.19 107.31 1bt9 n GLY 249 Ca -0.14 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 1bt9 n GLY 249 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bt9 s PHE 250 N -3.63 2.81 0.19 1.61 0.08 -0.95 -0.10 117.98 117.98 1bt9 s PHE 250 Ca 0.00 -0.08 -0.31 0.00 0.12 0.00 0.00 56.93 56.66 1bt9 s PHE 250 Cb 0.00 -1.63 -0.10 0.00 -0.57 0.00 0.00 43.02 40.73 1bt9 s PHE 250 CO 0.00 0.29 1.47 0.00 -0.10 0.00 0.00 175.22 176.88 1bt9 s ALA 251 N -0.86 3.67 0.14 5.36 0.00 0.11 -3.35 121.76 126.83 1bt9 s ALA 251 Ca 0.14 1.29 -0.19 0.00 0.00 0.00 0.00 51.96 53.19 1bt9 s ALA 251 Cb -0.11 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.46 1bt9 s ALA 251 CO 0.03 -0.72 1.69 -0.91 0.00 0.00 0.00 175.76 175.86 1bt9 h ASN 252 N 6.01 -0.27 -5.13 0.00 4.21 -1.83 -2.99 115.58 115.58 1bt9 h ASN 252 Ca -0.44 0.08 -0.12 0.00 1.21 0.00 0.00 56.30 57.04 1bt9 h ASN 252 Cb 1.21 0.17 -0.16 0.00 -1.12 0.00 0.00 38.32 38.42 1bt9 h ASN 252 CO 0.84 -0.10 -0.52 -1.59 -1.29 0.00 0.00 177.43 174.77 1bt9 s LYS 253 N -6.20 0.64 0.03 0.81 0.00 -1.19 -1.31 119.74 112.52 1bt9 s LYS 253 Ca -0.14 -0.88 0.02 0.00 0.00 0.00 0.00 55.97 54.98 1bt9 s LYS 253 Cb 0.12 0.25 -0.02 0.00 0.00 0.00 0.00 37.83 38.17 1bt9 s LYS 253 CO 0.69 -0.16 -0.07 0.95 0.00 0.00 0.00 175.35 176.76 1bt9 s THR 254 N -3.08 0.52 -0.13 3.79 -4.23 -0.70 -0.85 115.64 110.96 1bt9 s THR 254 Ca -0.01 -0.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 1bt9 s THR 254 Cb 0.02 -0.56 0.01 0.00 1.34 0.00 0.00 72.50 73.31 1bt9 s THR 254 CO -0.07 -0.28 -0.20 -1.10 -0.54 0.00 0.00 174.62 172.43 1bt9 s GLN 255 N -1.28 2.81 0.00 3.99 -0.21 -0.73 -2.67 119.66 121.56 1bt9 s GLN 255 Ca -0.08 -0.78 0.06 0.00 0.02 0.00 0.00 55.36 54.59 1bt9 s GLN 255 Cb -0.08 -2.28 -0.02 0.00 1.00 0.00 0.00 33.01 31.63 1bt9 s GLN 255 CO 0.00 -0.02 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.46 1bt9 s ASP 256 N 0.83 2.26 -0.01 5.90 1.01 0.17 -2.13 116.67 124.70 1bt9 s ASP 256 Ca -0.08 -0.39 0.02 0.00 0.71 0.00 0.00 52.55 52.81 1bt9 s ASP 256 Cb -0.15 -0.23 0.00 0.00 1.01 0.00 0.00 42.92 43.55 1bt9 s ASP 256 CO -0.01 0.21 -0.06 -0.69 0.21 0.00 0.00 175.17 174.82 1bt9 s VAL 257 N -0.55 0.53 -0.08 -1.27 1.01 -0.28 -1.02 120.40 118.74 1bt9 s VAL 257 Ca 0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 1bt9 s VAL 257 Cb -0.08 -0.47 0.04 0.00 0.00 0.00 0.00 36.38 35.87 1bt9 s VAL 257 CO -0.00 0.17 0.17 -0.76 0.00 0.00 0.00 175.10 174.68 1bt9 s LEU 258 N 0.12 0.46 0.05 3.92 1.02 -0.69 -2.26 118.68 121.30 1bt9 s LEU 258 Ca -0.01 0.36 0.06 0.00 0.02 0.00 0.00 54.13 54.56 1bt9 s LEU 258 Cb -0.06 0.42 -0.02 0.00 0.02 0.00 0.00 46.19 46.55 1bt9 s LEU 258 CO -0.00 -0.18 -0.18 -0.76 0.02 0.00 0.00 176.35 175.26 1bt9 s LEU 259 N 1.48 2.19 -0.10 1.79 1.43 -0.32 0.02 118.68 125.16 1bt9 s LEU 259 Ca -0.06 -0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 52.44 1bt9 s LEU 259 Cb -0.12 -0.79 0.03 0.00 0.03 0.00 0.00 46.19 45.35 1bt9 s LEU 259 CO -0.06 0.09 0.27 -0.69 0.23 0.00 0.00 176.35 176.18 1bt9 s VAL 260 N -0.88 -0.01 -0.03 -1.59 1.01 0.64 -1.73 120.40 117.81 1bt9 s VAL 260 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1bt9 s VAL 260 Cb -0.09 -0.38 0.03 0.00 0.00 0.00 0.00 36.38 35.94 1bt9 s VAL 260 CO 0.02 0.01 0.01 0.00 0.00 0.00 0.00 175.10 175.14 1bt9 s ALA 261 N 0.38 0.31 0.06 5.51 0.00 -0.54 -0.26 121.76 127.22 1bt9 s ALA 261 Ca -0.02 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.06 1bt9 s ALA 261 Cb -0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1bt9 s ALA 261 CO -0.02 -0.13 0.06 -0.65 0.00 0.00 0.00 175.76 175.03 1bt9 s GLN 262 N 1.16 0.69 0.01 0.00 -0.21 0.50 -1.36 119.66 120.45 1bt9 s GLN 262 Ca -0.08 -1.07 0.00 0.00 0.02 0.00 0.00 55.36 54.23 1bt9 s GLN 262 Cb -0.13 0.26 -0.01 0.00 1.00 0.00 0.00 33.01 34.13 1bt9 s GLN 262 CO -0.02 -0.17 -0.01 -0.47 -2.12 0.00 0.00 175.29 172.50 1bt9 s TYR 263 N -3.74 0.08 -0.38 0.91 5.04 -1.14 -0.62 117.35 117.50 1bt9 s TYR 263 Ca 0.05 -0.15 -0.02 0.00 -2.44 0.00 0.00 57.07 54.51 1bt9 s TYR 263 Cb 0.06 -0.06 0.10 0.00 0.35 0.00 0.00 41.96 42.41 1bt9 s TYR 263 CO -0.10 -0.05 0.15 -1.14 -1.34 0.00 0.00 175.55 173.07 1bt9 s GLN 264 N -0.42 1.98 0.55 4.97 2.00 -0.47 -3.40 119.66 124.87 1bt9 s GLN 264 Ca -0.05 -1.75 -0.19 0.00 -2.00 0.00 0.00 55.36 51.37 1bt9 s GLN 264 Cb -0.03 -3.47 -0.05 0.00 0.80 0.00 0.00 33.01 30.26 1bt9 s GLN 264 CO -0.00 -0.99 1.11 -0.06 -0.50 0.00 0.00 175.29 174.84 1bt9 s PHE 265 N 1.12 2.74 -0.82 1.67 0.08 0.11 -4.88 117.98 118.00 1bt9 s PHE 265 Ca 0.07 1.55 0.24 0.00 0.12 0.00 0.00 56.93 58.90 1bt9 s PHE 265 Cb -0.22 -3.22 0.93 0.00 -0.57 0.00 0.00 43.02 39.94 1bt9 s PHE 265 CO -0.04 -1.44 1.73 -0.25 -0.10 0.00 0.00 175.22 175.12 1bt9 n ASP 266 N -1.45 0.35 -0.69 1.36 8.00 -1.26 -2.99 116.55 119.87 1bt9 n ASP 266 Ca 0.11 0.56 0.10 0.00 0.71 0.00 0.00 54.79 56.26 1bt9 n ASP 266 Cb 0.51 -0.64 0.31 0.00 -0.02 0.00 0.00 41.12 41.29 1bt9 n ASP 266 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1bt9 n PHE 267 N -1.85 0.32 0.00 1.24 1.16 -1.26 -4.94 117.46 112.13 1bt9 n PHE 267 Ca 0.05 -0.16 0.00 0.00 -1.87 0.00 0.00 57.45 55.47 1bt9 n PHE 267 Cb 0.30 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.17 1bt9 n PHE 267 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1bt9 n GLY 268 N 1.20 2.17 3.81 4.97 0.00 -1.16 -4.89 105.19 111.29 1bt9 n GLY 268 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1bt9 n GLY 268 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bt9 s LEU 269 N 0.00 4.49 -0.46 0.99 2.96 -1.25 -0.81 118.68 124.59 1bt9 s LEU 269 Ca 0.00 1.15 0.03 0.00 -0.22 0.00 0.00 54.13 55.09 1bt9 s LEU 269 Cb 0.00 -2.81 0.15 0.00 0.50 0.00 0.00 46.19 44.03 1bt9 s LEU 269 CO 0.00 0.26 0.29 -0.60 -1.32 0.00 0.00 176.35 174.98 1bt9 s ARG 270 N -0.92 1.30 0.63 1.98 3.52 0.02 0.07 118.95 125.55 1bt9 s ARG 270 Ca 0.28 -2.14 -0.17 0.00 -0.13 0.00 0.00 55.73 53.56 1bt9 s ARG 270 Cb -0.18 -2.21 -0.02 0.00 -1.56 0.00 0.00 34.95 30.98 1bt9 s ARG 270 CO 0.17 -1.23 1.18 -2.14 -0.81 0.00 0.00 175.30 172.48 1bt9 s PRO 271 N 0.13 2.79 -0.05 5.12 0.02 -1.22 -2.54 135.00 139.24 1bt9 s PRO 271 Ca 0.21 1.71 -0.02 0.00 0.02 0.00 0.00 61.00 62.93 1bt9 s PRO 271 Cb -0.16 -1.92 0.04 0.00 0.02 0.00 0.00 34.50 32.48 1bt9 s PRO 271 CO -0.06 -1.32 0.11 0.45 -0.33 0.00 0.00 177.00 175.85 1bt9 s SER 272 N -1.88 0.14 -0.06 2.53 0.15 -0.15 -2.87 113.70 111.57 1bt9 s SER 272 Ca 0.74 0.22 0.05 0.00 0.70 0.00 0.00 55.95 57.66 1bt9 s SER 272 Cb -0.28 0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.12 1bt9 s SER 272 CO 0.37 -0.16 -0.20 -0.63 1.20 0.00 0.00 173.24 173.81 1bt9 s ILE 273 N 1.38 2.52 0.15 6.45 -1.09 -0.46 -0.99 121.20 129.16 1bt9 s ILE 273 Ca -0.06 -0.91 -0.09 0.00 -2.23 0.00 0.00 60.65 57.35 1bt9 s ILE 273 Cb -0.12 -1.95 -0.00 0.00 -1.58 0.00 0.00 42.46 38.80 1bt9 s ILE 273 CO -0.05 0.57 0.28 0.00 -1.23 0.00 0.00 174.94 174.51 1bt9 s ALA 274 N -0.39 -0.09 -0.07 9.38 0.00 -0.67 -1.46 121.76 128.45 1bt9 s ALA 274 Ca 0.04 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.14 1bt9 s ALA 274 Cb -0.12 0.79 0.02 0.00 0.00 0.00 0.00 23.12 23.81 1bt9 s ALA 274 CO 0.02 -0.63 0.19 -0.47 0.00 0.00 0.00 175.76 174.87 1bt9 s TYR 275 N -3.94 -0.21 -0.06 0.00 5.04 -0.71 -2.00 117.35 115.47 1bt9 s TYR 275 Ca 0.14 0.53 -0.05 0.00 -2.44 0.00 0.00 57.07 55.25 1bt9 s TYR 275 Cb 0.03 0.05 0.02 0.00 0.35 0.00 0.00 41.96 42.42 1bt9 s TYR 275 CO -0.02 -0.12 0.16 0.99 -1.34 0.00 0.00 175.55 175.22 1bt9 s THR 276 N 0.34 -0.01 -0.08 4.34 2.01 -0.93 -1.18 115.64 120.13 1bt9 s THR 276 Ca -0.02 0.04 -0.06 0.00 0.31 0.00 0.00 61.69 61.96 1bt9 s THR 276 Cb -0.03 -0.24 0.03 0.00 0.01 0.00 0.00 72.50 72.27 1bt9 s THR 276 CO -0.01 0.01 0.21 -0.75 -0.69 0.00 0.00 174.62 173.39 1bt9 s LYS 277 N 0.32 0.20 -0.05 4.92 2.20 -0.96 -0.23 119.74 126.14 1bt9 s LYS 277 Ca -0.02 0.39 -0.02 0.00 -0.36 0.00 0.00 55.97 55.96 1bt9 s LYS 277 Cb -0.03 -0.03 0.04 0.00 -1.51 0.00 0.00 37.83 36.30 1bt9 s LYS 277 CO -0.01 -0.10 0.10 0.45 -0.36 0.00 0.00 175.35 175.42 1bt9 s SER 278 N 0.73 0.02 -0.02 1.43 0.15 0.26 -1.13 113.70 115.14 1bt9 s SER 278 Ca -0.05 0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.81 1bt9 s SER 278 Cb -0.07 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1bt9 s SER 278 CO -0.04 -0.15 -0.06 -1.59 1.20 0.00 0.00 173.24 172.60 1bt9 s LYS 279 N 1.20 0.64 -0.07 5.44 -2.85 -0.91 -1.05 119.74 122.14 1bt9 s LYS 279 Ca -0.08 -0.19 -0.14 0.00 -1.00 0.00 0.00 55.97 54.55 1bt9 s LYS 279 Cb -0.12 -0.63 -0.05 0.00 -2.06 0.00 0.00 37.83 34.97 1bt9 s LYS 279 CO -0.05 0.07 0.34 0.00 0.10 0.00 0.00 175.35 175.82 1bt9 s ALA 280 N 0.20 3.67 0.01 0.59 0.00 -0.52 -1.78 121.76 123.92 1bt9 s ALA 280 Ca -0.02 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 51.65 1bt9 s ALA 280 Cb -0.07 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 1bt9 s ALA 280 CO -0.00 0.34 -0.14 0.15 0.00 0.00 0.00 175.76 176.11 1bt9 s LYS 281 N -0.46 2.30 -0.85 0.00 1.02 -0.03 -2.16 119.74 119.55 1bt9 s LYS 281 Ca 0.21 -0.85 -0.05 0.00 0.02 0.00 0.00 55.97 55.30 1bt9 s LYS 281 Cb -0.15 -2.31 0.01 0.00 -0.52 0.00 0.00 37.83 34.86 1bt9 s LYS 281 CO 0.09 0.58 0.74 -0.25 -0.92 0.00 0.00 175.35 175.59 1bt9 n ASP 282 N 1.75 -4.57 -4.64 2.83 8.00 -1.21 -3.16 116.55 115.55 1bt9 n ASP 282 Ca -0.16 -0.35 -0.43 0.00 0.71 0.00 0.00 54.79 54.56 1bt9 n ASP 282 Cb 0.52 -3.38 -0.02 0.00 -0.02 0.00 0.00 41.12 38.22 1bt9 n ASP 282 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1bt9 s VAL 283 N -3.20 4.11 -0.45 2.53 1.01 -0.94 -4.66 120.40 118.79 1bt9 s VAL 283 Ca 0.34 1.27 -0.43 0.00 0.00 0.00 0.00 61.98 63.17 1bt9 s VAL 283 Cb -0.15 -4.06 -0.17 0.00 0.00 0.00 0.00 36.38 32.00 1bt9 s VAL 283 CO 0.46 -0.37 2.01 -1.84 0.00 0.00 0.00 175.10 175.36 1bt9 n GLU 284 N 7.20 0.31 0.00 2.72 0.00 -1.26 -0.54 120.64 129.08 1bt9 n GLU 284 Ca 0.15 0.10 0.00 0.00 0.00 0.00 0.00 57.16 57.41 1bt9 n GLU 284 Cb 0.46 -1.74 0.00 0.00 0.00 0.00 0.00 31.44 30.16 1bt9 n GLU 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1bt9 n GLY 285 N 6.33 2.89 0.13 -1.84 0.00 -1.26 -4.83 105.19 106.61 1bt9 n GLY 285 Ca 0.45 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 1bt9 n GLY 285 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bt9 n ILE 286 N 0.00 1.51 -1.10 -0.61 -0.00 0.30 -5.11 119.36 114.36 1bt9 n ILE 286 Ca 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 62.75 62.21 1bt9 n ILE 286 Cb 0.00 -1.51 0.00 0.00 -0.00 0.00 0.00 39.64 38.13 1bt9 n ILE 286 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1bt9 n GLY 287 N 2.09 0.29 3.65 7.39 0.00 -0.79 -4.88 105.19 112.94 1bt9 n GLY 287 Ca -0.46 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 1bt9 n GLY 287 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bt9 s ASP 288 N -4.00 6.63 -0.03 1.61 1.11 -1.26 -2.22 116.67 118.52 1bt9 s ASP 288 Ca 0.00 0.77 -0.02 0.00 0.18 0.00 0.00 52.55 53.48 1bt9 s ASP 288 Cb 0.00 -2.34 0.01 0.00 1.07 0.00 0.00 42.92 41.66 1bt9 s ASP 288 CO 0.00 -0.30 0.06 0.54 1.18 0.00 0.00 175.17 176.65 1bt9 s VAL 289 N 2.12 -0.01 0.26 -1.27 0.11 -0.92 -5.02 120.40 115.67 1bt9 s VAL 289 Ca 0.27 0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 59.16 1bt9 s VAL 289 Cb -0.16 -0.10 -0.09 0.00 -1.53 0.00 0.00 36.38 34.50 1bt9 s VAL 289 CO 0.10 0.02 0.79 -1.81 -3.33 0.00 0.00 175.10 170.87 1bt9 s ASP 290 N 0.29 7.13 -0.24 3.54 1.01 -1.26 -1.44 116.67 125.70 1bt9 s ASP 290 Ca -0.02 1.54 -0.06 0.00 0.71 0.00 0.00 52.55 54.72 1bt9 s ASP 290 Cb -0.03 -2.47 -0.12 0.00 1.01 0.00 0.00 42.92 41.31 1bt9 s ASP 290 CO -0.01 -0.01 -0.27 0.18 0.21 0.00 0.00 175.17 175.27 1bt9 n LEU 291 N 0.61 2.26 -3.91 1.23 4.77 -0.21 -4.87 117.00 116.87 1bt9 n LEU 291 Ca -0.01 0.12 -0.17 0.00 -0.03 0.00 0.00 56.01 55.92 1bt9 n LEU 291 Cb 0.51 -0.75 -0.15 0.00 -2.33 0.00 0.00 43.42 40.69 1bt9 n LEU 291 CO 0.43 0.67 -0.40 -0.69 -1.33 0.00 0.00 177.39 176.07 1bt9 s VAL 292 N -2.45 0.41 -0.29 4.08 1.01 -0.73 -4.97 120.40 117.46 1bt9 s VAL 292 Ca -0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1bt9 s VAL 292 Cb 0.11 -0.40 0.19 0.00 0.00 0.00 0.00 36.38 36.28 1bt9 s VAL 292 CO 0.47 0.16 0.74 0.21 0.00 0.00 0.00 175.10 176.68 1bt9 s ASN 293 N 0.39 -1.21 0.25 3.32 3.84 -1.22 0.90 114.94 121.20 1bt9 s ASN 293 Ca -0.04 0.25 -0.22 0.00 0.21 0.00 0.00 52.86 53.06 1bt9 s ASN 293 Cb -0.08 1.81 0.03 0.00 -0.55 0.00 0.00 41.25 42.47 1bt9 s ASN 293 CO -0.00 -0.22 0.74 -0.72 -2.79 0.00 0.00 177.10 174.10 1bt9 s TYR 294 N 2.88 -0.23 0.25 0.43 -0.85 0.68 -0.83 117.35 119.68 1bt9 s TYR 294 Ca 0.15 -0.18 0.09 0.00 -0.52 0.00 0.00 57.07 56.61 1bt9 s TYR 294 Cb -0.09 0.68 -0.04 0.00 0.38 0.00 0.00 41.96 42.89 1bt9 s TYR 294 CO -0.23 -1.13 0.04 -0.06 -1.52 0.00 0.00 175.55 172.64 1bt9 s PHE 295 N -3.81 2.80 -0.00 -3.49 0.40 0.22 -2.18 117.98 111.92 1bt9 s PHE 295 Ca 0.10 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 1bt9 s PHE 295 Cb -0.05 -1.26 0.00 0.00 0.51 0.00 0.00 43.02 42.22 1bt9 s PHE 295 CO 0.04 0.59 -0.00 -2.00 0.70 0.00 0.00 175.22 174.54 1bt9 s GLU 296 N -3.61 0.04 0.00 0.44 -6.30 -0.85 -0.08 118.70 108.35 1bt9 s GLU 296 Ca 0.31 -0.00 0.03 0.00 -2.50 0.00 0.00 54.97 52.80 1bt9 s GLU 296 Cb -0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 34.13 33.99 1bt9 s GLU 296 CO 0.21 -0.00 -0.09 0.08 0.02 0.00 0.00 175.26 175.48 1bt9 s VAL 297 N 0.08 0.67 0.06 3.70 1.01 0.13 -1.67 120.40 124.38 1bt9 s VAL 297 Ca -0.01 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.22 1bt9 s VAL 297 Cb -0.01 -0.59 0.10 0.00 0.00 0.00 0.00 36.38 35.88 1bt9 s VAL 297 CO -0.00 0.11 1.15 -0.83 0.00 0.00 0.00 175.10 175.53 1bt9 s GLY 298 N -0.41 -0.31 -0.03 4.51 0.00 -0.16 -1.17 107.32 109.76 1bt9 s GLY 298 Ca 0.02 0.40 -0.13 0.00 0.00 0.00 0.00 44.72 45.01 1bt9 s GLY 298 CO -0.00 0.37 0.28 0.00 0.00 0.00 0.00 173.10 173.75 1bt9 s ALA 299 N -2.73 -0.70 -0.05 3.20 0.00 -0.68 -0.98 121.76 119.82 1bt9 s ALA 299 Ca 0.14 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.51 1bt9 s ALA 299 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1bt9 s ALA 299 CO -0.01 -0.23 -0.21 0.99 0.00 0.00 0.00 175.76 176.30 1bt9 s THR 300 N -1.02 1.77 -0.19 0.00 2.01 -1.05 -1.67 115.64 115.48 1bt9 s THR 300 Ca -0.11 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 60.96 1bt9 s THR 300 Cb -0.05 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 1bt9 s THR 300 CO 0.03 0.50 -0.04 -0.47 -0.69 0.00 0.00 174.62 173.94 1bt9 s TYR 301 N -0.02 2.97 -0.41 4.92 6.14 -0.05 -0.80 117.35 130.10 1bt9 s TYR 301 Ca -0.05 -0.65 -0.16 0.00 0.64 0.00 0.00 57.07 56.85 1bt9 s TYR 301 Cb -0.13 -2.04 0.02 0.00 0.42 0.00 0.00 41.96 40.23 1bt9 s TYR 301 CO 0.03 -0.33 0.36 0.71 0.64 0.00 0.00 175.55 176.97 1bt9 s TYR 302 N 1.00 3.21 0.23 4.97 2.02 0.01 -0.74 117.35 128.04 1bt9 s TYR 302 Ca 0.00 -0.44 -0.01 0.00 -0.37 0.00 0.00 57.07 56.25 1bt9 s TYR 302 Cb -0.15 -2.72 0.23 0.00 -0.40 0.00 0.00 41.96 38.93 1bt9 s TYR 302 CO 0.01 -0.62 1.60 0.74 -1.57 0.00 0.00 175.55 175.71 1bt9 h PHE 303 N 8.65 0.66 -0.69 2.71 -1.00 -1.16 -3.42 116.94 122.70 1bt9 h PHE 303 Ca -0.27 -0.19 0.00 0.00 2.81 0.00 0.00 57.97 60.32 1bt9 h PHE 303 Cb 1.12 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.54 1bt9 h PHE 303 CO 0.59 0.86 0.00 0.27 -1.61 0.00 0.00 178.31 178.43 1bt9 n ASN 304 N -4.04 0.00 0.14 2.17 0.23 -1.08 -4.96 115.26 107.72 1bt9 n ASN 304 Ca -0.02 -0.22 -0.01 0.00 -0.53 0.00 0.00 54.58 53.81 1bt9 n ASN 304 Cb 0.51 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.38 1bt9 n ASN 304 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1bt9 h LYS 305 N 0.00 0.00 0.03 -3.83 1.57 -1.98 -3.29 116.57 109.07 1bt9 h LYS 305 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1bt9 h LYS 305 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1bt9 h LYS 305 CO 0.00 0.61 -1.48 -0.91 -0.57 0.00 0.00 179.45 177.10 1bt9 h ASN 306 N 0.00 0.09 -4.30 0.86 4.21 -1.95 -3.45 115.58 111.04 1bt9 h ASN 306 Ca -0.01 -0.15 -0.59 0.00 1.21 0.00 0.00 56.30 56.77 1bt9 h ASN 306 Cb 1.09 -0.03 -0.26 0.00 -1.12 0.00 0.00 38.32 38.00 1bt9 h ASN 306 CO 0.08 1.13 -0.84 -0.32 -1.29 0.00 0.00 177.43 176.18 1bt9 s MET 307 N -2.63 1.43 0.16 0.81 1.75 -1.24 -0.89 119.30 118.68 1bt9 s MET 307 Ca -0.05 -0.93 -0.24 0.00 -1.25 0.00 0.00 55.69 53.22 1bt9 s MET 307 Cb 0.08 -1.53 0.06 0.00 2.84 0.00 0.00 34.83 36.29 1bt9 s MET 307 CO 0.83 0.39 0.75 -1.54 -0.65 0.00 0.00 175.02 174.80 1bt9 s SER 308 N -1.12 -0.38 0.12 1.11 1.04 -0.76 -0.56 113.70 113.14 1bt9 s SER 308 Ca 0.08 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.31 1bt9 s SER 308 Cb -0.09 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1bt9 s SER 308 CO 0.02 -0.99 -0.09 -0.89 0.98 0.00 0.00 173.24 172.27 1bt9 s THR 309 N -3.59 0.91 0.14 2.02 2.01 0.08 -2.27 115.64 114.95 1bt9 s THR 309 Ca 0.06 -1.91 -0.15 0.00 0.31 0.00 0.00 61.69 59.99 1bt9 s THR 309 Cb -0.02 -1.67 0.03 0.00 0.01 0.00 0.00 72.50 70.85 1bt9 s THR 309 CO -0.04 -0.76 0.41 -0.72 -0.69 0.00 0.00 174.62 172.81 1bt9 s TYR 310 N -3.26 -0.12 -0.03 4.92 -0.85 -0.18 -0.87 117.35 116.96 1bt9 s TYR 310 Ca 0.12 -0.21 0.04 0.00 -0.52 0.00 0.00 57.07 56.51 1bt9 s TYR 310 Cb 0.03 0.25 -0.01 0.00 0.38 0.00 0.00 41.96 42.61 1bt9 s TYR 310 CO -0.02 -0.74 -0.15 0.08 -1.52 0.00 0.00 175.55 173.20 1bt9 s VAL 311 N -3.83 1.23 -0.08 -3.49 1.01 -0.67 -1.26 120.40 113.31 1bt9 s VAL 311 Ca 0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1bt9 s VAL 311 Cb 0.01 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.37 1bt9 s VAL 311 CO -0.09 0.36 -0.02 -0.62 0.00 0.00 0.00 175.10 174.72 1bt9 s ASP 312 N -0.13 1.62 -0.20 3.32 -1.08 0.94 -1.68 116.67 119.45 1bt9 s ASP 312 Ca 0.01 -0.13 -0.01 0.00 -0.52 0.00 0.00 52.55 51.90 1bt9 s ASP 312 Cb -0.08 -0.52 0.01 0.00 -1.46 0.00 0.00 42.92 40.86 1bt9 s ASP 312 CO 0.01 -0.16 -0.13 -0.47 0.52 0.00 0.00 175.17 174.94 1bt9 s TYR 313 N 1.77 2.88 -0.40 -5.34 5.04 -0.31 0.32 117.35 121.30 1bt9 s TYR 313 Ca 0.03 -1.38 -0.16 0.00 -2.44 0.00 0.00 57.07 53.12 1bt9 s TYR 313 Cb -0.13 -2.00 0.01 0.00 0.35 0.00 0.00 41.96 40.20 1bt9 s TYR 313 CO -0.05 -0.70 0.37 0.42 -1.34 0.00 0.00 175.55 174.24 1bt9 s ILE 314 N 1.36 5.17 -0.85 3.14 -1.09 -0.60 -0.69 121.20 127.64 1bt9 s ILE 314 Ca 0.05 -0.41 -0.20 0.00 -2.23 0.00 0.00 60.65 57.86 1bt9 s ILE 314 Cb -0.14 -3.96 0.12 0.00 -1.58 0.00 0.00 42.46 36.90 1bt9 s ILE 314 CO -0.08 -0.32 1.07 -0.63 -1.23 0.00 0.00 174.94 173.74 1bt9 s ILE 315 N 1.93 4.64 -0.08 2.92 1.01 0.88 -3.31 121.20 129.20 1bt9 s ILE 315 Ca 0.09 -1.27 -0.30 0.00 0.00 0.00 0.00 60.65 59.18 1bt9 s ILE 315 Cb -0.18 -4.74 -0.04 0.00 0.01 0.00 0.00 42.46 37.51 1bt9 s ILE 315 CO 0.12 -1.48 1.48 0.21 0.00 0.00 0.00 174.94 175.28 1bt9 s ASN 316 N 3.65 6.79 0.00 3.58 3.84 -1.26 -0.61 114.94 130.92 1bt9 s ASN 316 Ca 0.29 2.04 0.26 0.00 0.21 0.00 0.00 52.86 55.66 1bt9 s ASN 316 Cb -0.09 -2.54 0.61 0.00 -0.55 0.00 0.00 41.25 38.68 1bt9 s ASN 316 CO -0.04 -0.84 1.48 0.00 -2.79 0.00 0.00 177.10 174.91 1bt9 n GLN 317 N 6.62 0.14 -1.72 0.43 1.13 -0.01 -4.82 117.38 119.15 1bt9 n GLN 317 Ca 0.15 -0.08 -0.42 0.00 -1.94 0.00 0.00 57.00 54.71 1bt9 n GLN 317 Cb 0.44 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.28 1bt9 n GLN 317 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1bt9 n ILE 318 N -1.36 1.98 -3.92 5.09 2.08 -0.97 -4.94 119.36 117.32 1bt9 n ILE 318 Ca 0.07 -0.50 -0.23 0.00 0.56 0.00 0.00 62.75 62.65 1bt9 n ILE 318 Cb 0.34 -1.70 -0.02 0.00 -0.75 0.00 0.00 39.64 37.50 1bt9 n ILE 318 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 1bt9 s ASP 319 N -0.24 6.33 0.59 4.38 1.47 -1.26 -4.67 116.67 123.27 1bt9 s ASP 319 Ca 0.55 0.14 0.29 0.00 1.18 0.00 0.00 52.55 54.71 1bt9 s ASP 319 Cb -0.54 -1.89 1.64 0.00 -0.34 0.00 0.00 42.92 41.79 1bt9 s ASP 319 CO 0.63 -0.03 2.06 0.28 0.68 0.00 0.00 175.17 178.79 1bt9 h SER 320 N 1.57 0.00 -0.43 2.11 0.02 -1.92 -2.19 113.55 112.72 1bt9 h SER 320 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1bt9 h SER 320 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1bt9 h SER 320 CO 0.64 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.80 1bt9 n ASP 321 N -3.74 3.55 -3.45 3.07 8.00 -1.26 -4.99 116.55 117.72 1bt9 n ASP 321 Ca 0.02 -2.00 -0.49 0.00 0.71 0.00 0.00 54.79 53.04 1bt9 n ASP 321 Cb 0.38 -0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 41.13 1bt9 n ASP 321 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1bt9 n ASN 322 N 1.54 0.77 0.00 -2.24 2.85 -0.83 -4.73 115.26 112.62 1bt9 n ASN 322 Ca 0.20 0.87 0.06 0.00 -0.11 0.00 0.00 54.58 55.60 1bt9 n ASN 322 Cb 0.62 -0.65 0.38 0.00 1.24 0.00 0.00 39.78 41.37 1bt9 n ASN 322 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1bt9 n LYS 323 N 2.69 0.59 -0.00 1.20 4.01 -1.26 -2.20 118.16 123.19 1bt9 n LYS 323 Ca 0.22 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 58.08 1bt9 n LYS 323 Cb -0.03 -1.34 -0.09 0.00 -0.51 0.00 0.00 35.03 33.06 1bt9 n LYS 323 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1bt9 n LEU 324 N -0.84 0.29 0.00 -0.35 4.77 -1.26 -4.97 117.00 114.64 1bt9 n LEU 324 Ca 0.10 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1bt9 n LEU 324 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1bt9 n LEU 324 CO 0.07 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1bt9 n GLY 325 N 1.54 0.73 3.68 -0.72 0.00 -0.93 -1.59 105.19 107.90 1bt9 n GLY 325 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1bt9 n GLY 325 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bt9 n VAL 326 N -1.71 0.25 -1.93 1.61 0.31 -1.26 -4.89 118.33 110.71 1bt9 n VAL 326 Ca 0.00 -0.05 -0.37 0.00 -0.01 0.00 0.00 64.34 63.92 1bt9 n VAL 326 Cb 0.00 -1.88 0.04 0.00 -0.91 0.00 0.00 33.84 31.09 1bt9 n VAL 326 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1bt9 s GLY 327 N 2.24 2.79 0.00 2.92 0.00 -1.26 -4.74 107.32 109.28 1bt9 s GLY 327 Ca 0.82 1.10 0.04 0.00 0.00 0.00 0.00 44.72 46.68 1bt9 s GLY 327 CO 0.40 1.52 0.89 -1.14 0.00 0.00 0.00 173.10 174.76 1bt9 n SER 328 N -1.56 1.92 -4.87 1.64 3.41 0.11 -4.66 113.62 109.61 1bt9 n SER 328 Ca 0.14 -1.63 -0.33 0.00 -0.26 0.00 0.00 58.87 56.79 1bt9 n SER 328 Cb 0.49 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 1bt9 n SER 328 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bt9 s ASP 329 N -0.71 6.66 1.03 4.04 1.01 0.19 -4.72 116.67 124.17 1bt9 s ASP 329 Ca 0.08 0.92 -0.12 0.00 0.71 0.00 0.00 52.55 54.14 1bt9 s ASP 329 Cb 0.04 -2.22 0.21 0.00 1.01 0.00 0.00 42.92 41.96 1bt9 s ASP 329 CO 0.06 0.00 1.08 -1.81 0.21 0.00 0.00 175.17 174.71 1bt9 s ASP 330 N -2.15 2.15 0.01 0.27 1.01 -1.26 -1.50 116.67 115.19 1bt9 s ASP 330 Ca 0.43 1.69 0.00 0.00 0.71 0.00 0.00 52.55 55.38 1bt9 s ASP 330 Cb -0.12 -2.33 -0.01 0.00 1.01 0.00 0.00 42.92 41.47 1bt9 s ASP 330 CO 0.21 -3.50 -0.02 -0.89 0.21 0.00 0.00 175.17 171.18 1bt9 s THR 331 N -2.64 0.09 0.02 -1.27 2.01 -1.21 -4.24 115.64 108.39 1bt9 s THR 331 Ca 0.67 -0.32 0.08 0.00 0.31 0.00 0.00 61.69 62.42 1bt9 s THR 331 Cb -0.22 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 1bt9 s THR 331 CO 0.61 -0.15 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.46 1bt9 s VAL 332 N -0.48 2.29 -0.02 3.82 1.01 0.11 -1.56 120.40 125.58 1bt9 s VAL 332 Ca -0.05 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 60.74 1bt9 s VAL 332 Cb -0.03 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1bt9 s VAL 332 CO -0.00 0.45 -0.07 0.00 0.00 0.00 0.00 175.10 175.47 1bt9 s ALA 333 N -0.76 0.70 -0.08 5.51 0.00 0.15 -0.41 121.76 126.88 1bt9 s ALA 333 Ca 0.12 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 51.84 1bt9 s ALA 333 Cb -0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 1bt9 s ALA 333 CO 0.01 0.12 -0.21 0.08 0.00 0.00 0.00 175.76 175.77 1bt9 s VAL 334 N 0.13 1.80 0.02 0.00 1.01 -0.69 -0.04 120.40 122.64 1bt9 s VAL 334 Ca -0.02 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1bt9 s VAL 334 Cb -0.07 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1bt9 s VAL 334 CO 0.00 0.50 0.04 -0.83 0.00 0.00 0.00 175.10 174.81 1bt9 s GLY 335 N 0.26 0.21 -0.09 4.51 0.00 -0.39 -2.31 107.32 109.51 1bt9 s GLY 335 Ca -0.13 -0.56 -0.00 0.00 0.00 0.00 0.00 44.72 44.03 1bt9 s GLY 335 CO 0.06 -0.66 -0.07 -1.50 0.00 0.00 0.00 173.10 170.93 1bt9 s ILE 336 N -2.02 0.88 -0.16 0.90 2.07 0.66 -1.01 121.20 122.51 1bt9 s ILE 336 Ca -0.10 -0.23 -0.00 0.00 -1.41 0.00 0.00 60.65 58.91 1bt9 s ILE 336 Cb -0.05 -0.91 -0.01 0.00 0.13 0.00 0.00 42.46 41.62 1bt9 s ILE 336 CO -0.02 0.33 -0.13 -0.69 -1.91 0.00 0.00 174.94 172.52 1bt9 s VAL 337 N 1.53 2.88 -0.11 4.00 1.01 -0.96 -0.63 120.40 128.11 1bt9 s VAL 337 Ca 0.01 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1bt9 s VAL 337 Cb -0.13 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 1bt9 s VAL 337 CO -0.05 0.51 -0.20 -0.47 0.00 0.00 0.00 175.10 174.89 1bt9 s TYR 338 N 0.76 2.66 0.04 5.22 5.04 -0.64 -1.83 117.35 128.60 1bt9 s TYR 338 Ca -0.05 -0.88 -0.04 0.00 -2.44 0.00 0.00 57.07 53.65 1bt9 s TYR 338 Cb -0.15 -1.76 -0.02 0.00 0.35 0.00 0.00 41.96 40.38 1bt9 s TYR 338 CO 0.01 -0.33 0.06 1.14 -1.34 0.00 0.00 175.55 175.08 1bt9 s GLN 339 N 0.34 0.57 0.00 4.97 -2.07 -0.07 -0.67 119.66 122.73 1bt9 s GLN 339 Ca -0.16 -0.84 0.00 0.00 -1.82 0.00 0.00 55.36 52.54 1bt9 s GLN 339 Cb -0.17 0.21 0.00 0.00 -1.09 0.00 0.00 33.01 31.96 1bt9 s GLN 339 CO 0.08 -0.13 0.00 1.97 -1.32 0.00 0.00 175.29 175.89