#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9s s THR 2 N 0.00 0.92 -1.28 0.00 -4.23 -0.24 -4.99 115.64 105.83 1k9s s THR 2 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 1k9s s THR 2 Cb 0.00 -2.50 0.22 0.00 1.34 0.00 0.00 72.50 71.57 1k9s s THR 2 CO 0.00 0.00 1.47 -0.81 -0.54 0.00 0.00 174.62 174.74 1k9s n PRO 3 N -0.89 0.15 -0.00 3.99 -0.04 -1.26 -3.21 135.00 133.74 1k9s n PRO 3 Ca -0.07 0.17 0.03 0.00 -0.04 0.00 0.00 63.50 63.59 1k9s n PRO 3 Cb 0.66 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.58 1k9s n PRO 3 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1k9s n HIS 4 N -1.36 0.00 -3.71 0.54 8.25 -1.26 -4.96 115.22 112.72 1k9s n HIS 4 Ca 0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.28 1k9s n HIS 4 Cb 0.14 -0.04 -0.17 0.00 1.12 0.00 0.00 29.99 31.05 1k9s n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1k9s s ILE 5 N -1.78 0.22 -1.16 1.59 1.01 -1.20 -4.66 121.20 115.22 1k9s s ILE 5 Ca 0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.52 1k9s s ILE 5 Cb 0.04 -0.59 0.24 0.00 0.01 0.00 0.00 42.46 42.16 1k9s s ILE 5 CO 0.24 0.02 1.39 -3.20 0.00 0.00 0.00 174.94 173.38 1k9s n ASN 6 N 5.18 5.57 -3.53 3.58 4.05 -1.26 -1.08 115.26 127.77 1k9s n ASN 6 Ca -0.07 -3.11 -0.12 0.00 0.45 0.00 0.00 54.58 51.74 1k9s n ASN 6 Cb 0.49 -1.42 -0.04 0.00 1.23 0.00 0.00 39.78 40.04 1k9s n ASN 6 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1k9s s ALA 7 N -0.59 0.17 0.22 5.20 0.00 -1.26 -4.68 121.76 120.82 1k9s s ALA 7 Ca 0.35 -1.17 0.05 0.00 0.00 0.00 0.00 51.96 51.20 1k9s s ALA 7 Cb -0.02 1.06 -0.05 0.00 0.00 0.00 0.00 23.12 24.11 1k9s s ALA 7 CO -0.01 -0.84 -0.05 -1.21 0.00 0.00 0.00 175.76 173.65 1k9s s GLU 8 N -3.37 1.32 0.19 0.00 0.41 -1.26 -2.37 118.70 113.63 1k9s s GLU 8 Ca 0.25 -1.64 -0.32 0.00 -0.41 0.00 0.00 54.97 52.85 1k9s s GLU 8 Cb -0.01 -0.79 -0.15 0.00 -1.78 0.00 0.00 34.13 31.40 1k9s s GLU 8 CO 0.14 -0.00 1.16 -0.12 -0.49 0.00 0.00 175.26 175.96 1k9s n MET 9 N -0.40 1.26 0.00 1.61 0.00 -1.26 -1.28 117.12 117.05 1k9s n MET 9 Ca -0.07 0.45 0.00 0.00 -0.00 0.00 0.00 57.70 58.08 1k9s n MET 9 Cb 0.63 -1.94 0.00 0.00 0.00 0.00 0.00 33.22 31.90 1k9s n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1k9s n GLY 10 N 1.93 2.89 0.24 -5.12 0.00 -1.26 -4.91 105.19 98.95 1k9s n GLY 10 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1k9s n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k9s h ASP 11 N 0.17 0.00 -3.40 1.61 3.32 -1.56 -3.43 116.42 113.13 1k9s h ASP 11 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1k9s h ASP 11 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 1k9s h ASP 11 CO 0.00 0.16 -0.67 -0.36 -1.72 0.00 0.00 179.24 176.65 1k9s s PHE 12 N -3.84 2.96 0.94 4.55 0.08 -1.26 -4.71 117.98 116.70 1k9s s PHE 12 Ca -0.01 -0.03 -0.15 0.00 0.12 0.00 0.00 56.93 56.87 1k9s s PHE 12 Cb 0.11 -1.55 0.17 0.00 -0.57 0.00 0.00 43.02 41.18 1k9s s PHE 12 CO 0.60 0.46 1.24 0.00 -0.10 0.00 0.00 175.22 177.42 1k9s s ALA 13 N -1.25 2.11 -0.77 5.36 0.00 -1.26 -4.94 121.76 121.01 1k9s s ALA 13 Ca 0.24 -0.94 0.24 0.00 0.00 0.00 0.00 51.96 51.50 1k9s s ALA 13 Cb -0.12 -2.87 0.92 0.00 0.00 0.00 0.00 23.12 21.05 1k9s s ALA 13 CO 0.16 -2.34 1.73 -0.40 0.00 0.00 0.00 175.76 174.92 1k9s n ASP 14 N -3.75 0.45 -4.19 0.00 5.75 -1.26 -4.64 116.55 108.90 1k9s n ASP 14 Ca 0.12 0.57 -0.30 0.00 -0.01 0.00 0.00 54.79 55.17 1k9s n ASP 14 Cb 0.60 -0.68 -0.17 0.00 -1.03 0.00 0.00 41.12 39.84 1k9s n ASP 14 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1k9s s VAL 15 N -3.12 1.88 -0.08 2.12 1.01 -1.26 -0.80 120.40 120.15 1k9s s VAL 15 Ca 0.09 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1k9s s VAL 15 Cb 0.12 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1k9s s VAL 15 CO 0.46 0.52 -0.10 -0.69 0.00 0.00 0.00 175.10 175.30 1k9s s VAL 16 N 0.28 1.02 -0.01 2.92 1.01 -0.62 -2.31 120.40 122.69 1k9s s VAL 16 Ca -0.15 -0.37 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 1k9s s VAL 16 Cb -0.16 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1k9s s VAL 16 CO 0.07 0.34 0.55 -0.76 0.00 0.00 0.00 175.10 175.30 1k9s s LEU 17 N 1.00 4.42 -0.22 3.92 1.02 0.05 -1.20 118.68 127.68 1k9s s LEU 17 Ca -0.09 1.11 -0.03 0.00 0.02 0.00 0.00 54.13 55.14 1k9s s LEU 17 Cb -0.15 -2.85 0.07 0.00 0.02 0.00 0.00 46.19 43.28 1k9s s LEU 17 CO -0.00 0.14 0.06 -0.04 0.02 0.00 0.00 176.35 176.53 1k9s s MET 18 N -0.32 0.50 0.45 1.70 -1.94 0.11 -1.16 119.30 118.65 1k9s s MET 18 Ca 0.29 -0.46 -0.02 0.00 -1.71 0.00 0.00 55.69 53.78 1k9s s MET 18 Cb -0.18 -1.93 -0.02 0.00 2.01 0.00 0.00 34.83 34.71 1k9s s MET 18 CO 0.16 -0.74 0.71 -1.25 -0.01 0.00 0.00 175.02 173.89 1k9s s PRO 19 N 1.91 3.32 0.31 2.03 0.04 -1.23 -1.57 135.00 139.80 1k9s s PRO 19 Ca 0.02 -0.14 0.17 0.00 0.04 0.00 0.00 61.00 61.09 1k9s s PRO 19 Cb -0.17 -2.48 0.24 0.00 0.04 0.00 0.00 34.50 32.13 1k9s s PRO 19 CO -0.14 -0.20 1.52 0.78 0.04 0.00 0.00 177.00 179.01 1k9s h GLY 20 N 0.35 0.00 -6.86 0.56 0.00 -1.82 -0.89 103.07 94.41 1k9s h GLY 20 Ca -0.47 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.23 1k9s h GLY 20 CO 0.60 0.00 0.17 -0.35 0.00 0.00 0.00 176.54 176.97 1k9s s ASP 21 N -6.42 6.44 0.58 0.19 2.15 -1.26 -1.59 116.67 116.77 1k9s s ASP 21 Ca 0.03 0.17 0.33 0.00 0.43 0.00 0.00 52.55 53.52 1k9s s ASP 21 Cb 0.08 -2.34 1.77 0.00 -0.30 0.00 0.00 42.92 42.14 1k9s s ASP 21 CO 0.72 -0.61 2.18 1.55 -0.17 0.00 0.00 175.17 178.84 1k9s h PRO 22 N 8.46 0.00 0.00 4.34 0.13 -1.88 -0.74 132.00 142.32 1k9s h PRO 22 Ca -0.26 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.74 1k9s h PRO 22 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1k9s h PRO 22 CO 0.85 0.05 -0.60 -0.07 -0.23 0.00 0.00 178.00 178.00 1k9s h LEU 23 N 0.00 0.00 -0.40 1.56 3.38 -1.92 -1.12 115.31 116.81 1k9s h LEU 23 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1k9s h LEU 23 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1k9s h LEU 23 CO 0.01 0.60 -0.71 -0.09 0.09 0.00 0.00 178.44 178.33 1k9s h ARG 24 N 0.00 0.45 -0.62 1.13 2.43 -1.32 -1.63 114.38 114.82 1k9s h ARG 24 Ca -0.01 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1k9s h ARG 24 Cb 1.16 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 1k9s h ARG 24 CO 0.08 0.99 0.39 0.00 -1.51 0.00 0.00 179.97 179.92 1k9s h ALA 25 N 0.91 0.79 -0.46 2.80 0.00 -1.02 -0.10 119.26 122.16 1k9s h ALA 25 Ca -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1k9s h ALA 25 Cb 1.29 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1k9s h ALA 25 CO 0.13 0.25 0.23 -0.22 0.00 0.00 0.00 179.25 179.63 1k9s h LYS 26 N 0.84 0.66 -0.80 0.00 3.64 -1.09 -1.09 116.57 118.72 1k9s h LYS 26 Ca 0.22 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1k9s h LYS 26 Cb -0.05 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 1k9s h LYS 26 CO -0.04 0.56 0.45 -0.92 -2.27 0.00 0.00 179.45 177.22 1k9s h TYR 27 N 0.61 1.09 -0.50 1.91 3.20 -0.86 -1.12 116.97 121.30 1k9s h TYR 27 Ca 0.16 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 1k9s h TYR 27 Cb 0.11 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 1k9s h TYR 27 CO -0.01 0.75 0.14 0.82 -1.64 0.00 0.00 178.16 178.22 1k9s h ILE 28 N 1.11 1.23 -0.51 1.81 2.04 -0.76 -0.64 117.51 121.79 1k9s h ILE 28 Ca 0.28 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1k9s h ILE 28 Cb 0.01 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1k9s h ILE 28 CO -0.05 0.29 0.23 0.00 0.00 0.00 0.00 178.15 178.63 1k9s h ALA 29 N 1.00 0.67 0.00 1.87 0.00 -0.88 0.27 119.26 122.19 1k9s h ALA 29 Ca 0.16 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1k9s h ALA 29 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1k9s h ALA 29 CO -0.00 0.25 -0.40 0.93 0.00 0.00 0.00 179.25 180.03 1k9s h GLU 30 N 0.69 0.00 0.00 0.00 5.08 -1.07 -3.14 114.58 116.14 1k9s h GLU 30 Ca 0.17 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.18 1k9s h GLU 30 Cb 0.15 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 1k9s h GLU 30 CO -0.02 0.40 -2.34 2.41 -1.00 0.00 0.00 179.01 178.47 1k9s n THR 31 N -3.64 1.34 -0.01 1.13 -1.04 -0.26 -4.74 114.28 107.06 1k9s n THR 31 Ca -0.01 -0.62 0.06 0.00 -2.04 0.00 0.00 64.05 61.44 1k9s n THR 31 Cb 0.50 -1.05 -0.10 0.00 -1.82 0.00 0.00 70.33 67.85 1k9s n THR 31 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1k9s n PHE 32 N -3.02 0.00 -3.98 -1.42 3.72 0.07 -5.01 117.46 107.81 1k9s n PHE 32 Ca -0.38 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.71 1k9s n PHE 32 Cb 1.01 -0.33 -0.05 0.00 -0.94 0.00 0.00 39.48 39.16 1k9s n PHE 32 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1k9s s LEU 33 N -4.02 4.10 -0.01 4.37 1.02 -1.18 -4.74 118.68 118.21 1k9s s LEU 33 Ca -0.05 0.14 -0.02 0.00 0.02 0.00 0.00 54.13 54.22 1k9s s LEU 33 Cb 0.08 -2.71 -0.04 0.00 0.02 0.00 0.00 46.19 43.54 1k9s s LEU 33 CO 0.56 0.18 0.15 -1.61 0.02 0.00 0.00 176.35 175.65 1k9s s GLU 34 N -2.41 3.33 -1.64 1.70 2.02 0.36 -4.51 118.70 117.55 1k9s s GLU 34 Ca 0.32 -0.37 -0.15 0.00 0.02 0.00 0.00 54.97 54.79 1k9s s GLU 34 Cb -0.13 -3.03 0.12 0.00 0.10 0.00 0.00 34.13 31.20 1k9s s GLU 34 CO 0.25 0.67 0.76 -0.25 0.02 0.00 0.00 175.26 176.70 1k9s n ASP 35 N 1.01 -3.06 -4.74 -0.19 8.00 -1.26 -1.88 116.55 114.42 1k9s n ASP 35 Ca -0.11 -0.98 -0.41 0.00 0.71 0.00 0.00 54.79 53.99 1k9s n ASP 35 Cb 0.53 -2.96 -0.03 0.00 -0.02 0.00 0.00 41.12 38.64 1k9s n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k9s s ALA 36 N -3.40 3.54 0.06 2.24 0.00 -1.26 -4.63 121.76 118.32 1k9s s ALA 36 Ca 0.62 1.17 0.09 0.00 0.00 0.00 0.00 51.96 53.83 1k9s s ALA 36 Cb -0.33 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.27 1k9s s ALA 36 CO 0.91 -0.58 -0.24 -0.98 0.00 0.00 0.00 175.76 174.87 1k9s s ARG 37 N -0.40 1.52 -0.06 0.00 1.70 -0.28 -4.93 118.95 116.50 1k9s s ARG 37 Ca 0.56 -1.07 -0.30 0.00 -0.47 0.00 0.00 55.73 54.45 1k9s s ARG 37 Cb -0.38 -1.72 -0.03 0.00 -0.57 0.00 0.00 34.95 32.25 1k9s s ARG 37 CO 0.41 0.44 1.20 -2.00 -1.08 0.00 0.00 175.30 174.26 1k9s s GLU 38 N -1.37 4.35 0.00 3.89 2.12 -1.26 -1.53 118.70 124.90 1k9s s GLU 38 Ca 0.10 1.67 0.07 0.00 0.36 0.00 0.00 54.97 57.17 1k9s s GLU 38 Cb -0.09 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1k9s s GLU 38 CO 0.03 -0.45 0.44 1.33 -0.54 0.00 0.00 175.26 176.07 1k9s n VAL 39 N 4.62 0.00 -3.66 3.70 0.24 0.92 -4.96 118.33 119.19 1k9s n VAL 39 Ca 0.11 -0.40 -0.14 0.00 -2.04 0.00 0.00 64.34 61.87 1k9s n VAL 39 Cb 0.46 1.05 -0.08 0.00 -1.47 0.00 0.00 33.84 33.80 1k9s n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1k9s s ASN 40 N -1.29 -0.57 0.00 -1.34 3.84 -1.13 -4.40 114.94 110.04 1k9s s ASN 40 Ca 0.05 1.02 0.00 0.00 0.21 0.00 0.00 52.86 54.13 1k9s s ASN 40 Cb 0.05 1.02 0.00 0.00 -0.55 0.00 0.00 41.25 41.78 1k9s s ASN 40 CO 0.21 -0.27 0.33 -0.46 -2.79 0.00 0.00 177.10 174.12 1k9s n ASN 41 N 2.41 0.00 -4.74 -4.21 2.04 -1.26 -1.90 115.26 107.60 1k9s n ASN 41 Ca -0.15 -1.00 -0.42 0.00 -0.44 0.00 0.00 54.58 52.57 1k9s n ASN 41 Cb 0.56 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.79 1k9s n ASN 41 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1k9s n VAL 42 N 0.00 0.91 -1.60 3.53 0.31 -1.26 -0.79 118.33 119.42 1k9s n VAL 42 Ca 0.00 -0.23 -0.18 0.00 -0.01 0.00 0.00 64.34 63.92 1k9s n VAL 42 Cb 0.46 -1.92 -0.07 0.00 -0.91 0.00 0.00 33.84 31.39 1k9s n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1k9s n ARG 43 N 2.34 -1.44 -1.14 5.55 1.74 -1.26 -1.27 116.66 121.18 1k9s n ARG 43 Ca 0.10 1.05 -0.05 0.00 -0.77 0.00 0.00 57.85 58.18 1k9s n ARG 43 Cb 0.36 -5.42 -0.02 0.00 -1.02 0.00 0.00 32.46 26.36 1k9s n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k9s n GLY 44 N -0.39 0.63 3.40 -0.13 0.00 0.03 -4.91 105.19 103.82 1k9s n GLY 44 Ca -0.18 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.24 1k9s n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1k9s n MET 45 N -1.30 3.38 -1.69 1.61 0.00 -0.40 -4.83 117.12 113.89 1k9s n MET 45 Ca -0.05 -3.74 -0.44 0.00 0.00 0.00 0.00 57.70 53.47 1k9s n MET 45 Cb 0.35 -3.07 -0.03 0.00 0.00 0.00 0.00 33.22 30.47 1k9s n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1k9s n LEU 46 N 5.70 3.48 -4.08 -0.89 4.77 -1.26 -4.41 117.00 120.31 1k9s n LEU 46 Ca 0.39 1.10 -0.18 0.00 -0.03 0.00 0.00 56.01 57.28 1k9s n LEU 46 Cb 0.42 -1.48 -0.13 0.00 -2.33 0.00 0.00 43.42 39.89 1k9s n LEU 46 CO 0.66 -0.16 -0.44 -0.83 -1.33 0.00 0.00 177.39 175.29 1k9s s GLY 47 N 0.78 0.61 0.06 -0.72 0.00 -0.80 -2.07 107.32 105.18 1k9s s GLY 47 Ca 0.74 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1k9s s GLY 47 CO 0.40 -0.63 -0.04 -1.36 0.00 0.00 0.00 173.10 171.47 1k9s s PHE 48 N -0.72 0.58 -0.04 1.90 0.40 0.50 -0.05 117.98 120.55 1k9s s PHE 48 Ca 0.00 -0.88 0.01 0.00 -0.60 0.00 0.00 56.93 55.46 1k9s s PHE 48 Cb -0.07 -0.39 0.02 0.00 0.51 0.00 0.00 43.02 43.10 1k9s s PHE 48 CO 0.01 -0.26 -0.04 0.99 0.70 0.00 0.00 175.22 176.61 1k9s s THR 49 N -3.18 0.50 0.00 0.64 2.01 -0.58 -0.56 115.64 114.47 1k9s s THR 49 Ca 0.03 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.91 1k9s s THR 49 Cb 0.02 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 72.01 1k9s s THR 49 CO -0.06 0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 1k9s n GLY 50 N 3.95 3.41 3.26 4.40 0.00 -0.36 -1.13 105.19 118.73 1k9s n GLY 50 Ca -0.25 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 1k9s n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k9s s THR 51 N -2.47 1.55 -0.16 2.61 -4.23 -0.79 -0.80 115.64 111.36 1k9s s THR 51 Ca 0.00 -1.53 -0.00 0.00 -1.18 0.00 0.00 61.69 58.97 1k9s s THR 51 Cb 0.00 -1.46 0.04 0.00 1.34 0.00 0.00 72.50 72.41 1k9s s THR 51 CO 0.00 -0.15 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.40 1k9s s TYR 52 N -1.34 1.70 -1.59 3.99 5.04 0.23 -0.49 117.35 124.89 1k9s s TYR 52 Ca 0.05 -1.04 -0.10 0.00 -2.44 0.00 0.00 57.07 53.54 1k9s s TYR 52 Cb -0.09 -1.32 0.09 0.00 0.35 0.00 0.00 41.96 40.99 1k9s s TYR 52 CO 0.04 -0.60 0.58 1.63 -1.34 0.00 0.00 175.55 175.85 1k9s n LYS 53 N 4.88 -2.94 0.00 4.97 5.02 -1.26 -0.66 118.16 128.16 1k9s n LYS 53 Ca -0.12 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1k9s n LYS 53 Cb 0.48 -4.74 0.00 0.00 -0.02 0.00 0.00 35.03 30.75 1k9s n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k9s n GLY 54 N -1.72 2.47 3.69 0.72 0.00 -1.26 -5.02 105.19 104.08 1k9s n GLY 54 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1k9s n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k9s s ARG 55 N -0.28 4.24 0.20 1.61 3.00 0.16 -5.01 118.95 122.87 1k9s s ARG 55 Ca 0.00 0.35 -0.30 0.00 -1.00 0.00 0.00 55.73 54.78 1k9s s ARG 55 Cb 0.00 -3.50 -0.09 0.00 0.00 0.00 0.00 34.95 31.36 1k9s s ARG 55 CO 0.00 0.01 1.39 0.21 0.00 0.00 0.00 175.30 176.91 1k9s s LYS 56 N 1.12 4.32 -0.04 5.12 2.20 -1.26 -0.60 119.74 130.60 1k9s s LYS 56 Ca 0.23 2.17 -0.09 0.00 -0.36 0.00 0.00 55.97 57.92 1k9s s LYS 56 Cb -0.15 -3.17 0.01 0.00 -1.51 0.00 0.00 37.83 33.01 1k9s s LYS 56 CO 0.09 -0.37 0.20 0.42 -0.36 0.00 0.00 175.35 175.33 1k9s s ILE 57 N 0.31 0.04 0.21 5.43 -1.09 0.02 -4.77 121.20 121.35 1k9s s ILE 57 Ca 0.60 -0.34 0.11 0.00 -2.23 0.00 0.00 60.65 58.79 1k9s s ILE 57 Cb -0.39 -0.40 -0.04 0.00 -1.58 0.00 0.00 42.46 40.04 1k9s s ILE 57 CO 0.38 -0.19 -0.19 -0.44 -1.23 0.00 0.00 174.94 173.27 1k9s s SER 58 N -0.68 3.69 -0.03 3.58 0.01 -0.98 -1.22 113.70 118.06 1k9s s SER 58 Ca -0.08 -0.83 -0.01 0.00 1.31 0.00 0.00 55.95 56.35 1k9s s SER 58 Cb -0.04 -0.39 0.03 0.00 0.21 0.00 0.00 66.02 65.83 1k9s s SER 58 CO 0.01 0.10 0.06 0.54 0.41 0.00 0.00 173.24 174.36 1k9s s VAL 59 N -1.87 -0.06 -0.11 3.43 0.11 0.28 -0.77 120.40 121.41 1k9s s VAL 59 Ca 0.24 0.22 -0.15 0.00 -2.93 0.00 0.00 61.98 59.36 1k9s s VAL 59 Cb -0.07 -0.12 0.04 0.00 -1.53 0.00 0.00 36.38 34.69 1k9s s VAL 59 CO 0.12 0.09 0.38 -0.32 -3.33 0.00 0.00 175.10 172.05 1k9s s MET 60 N 1.13 0.54 0.64 1.54 0.00 -0.31 -0.37 119.30 122.48 1k9s s MET 60 Ca -0.09 0.34 -0.15 0.00 0.00 0.00 0.00 55.69 55.79 1k9s s MET 60 Cb -0.13 0.25 -0.01 0.00 0.00 0.00 0.00 34.83 34.95 1k9s s MET 60 CO -0.04 -0.10 1.10 0.20 0.00 0.00 0.00 175.02 176.18 1k9s s GLY 61 N -0.26 2.14 0.00 2.11 0.00 -0.88 -3.58 107.32 106.85 1k9s s GLY 61 Ca -0.04 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1k9s s GLY 61 CO 0.02 0.84 0.44 -2.39 0.00 0.00 0.00 173.10 172.01 1k9s n HIS 62 N -2.34 0.00 -0.23 1.90 1.44 -0.34 -4.88 115.22 110.77 1k9s n HIS 62 Ca 0.10 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.83 1k9s n HIS 62 Cb 0.52 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.63 1k9s n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1k9s n GLY 63 N 0.05 -2.22 3.79 -1.39 0.00 -0.62 -2.80 105.19 102.00 1k9s n GLY 63 Ca 0.00 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 1k9s n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1k9s s MET 64 N -1.14 3.78 0.00 1.61 1.00 -1.26 -4.61 119.30 118.67 1k9s s MET 64 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 55.69 55.50 1k9s s MET 64 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 34.83 31.55 1k9s s MET 64 CO 0.00 0.54 0.00 0.41 0.00 0.00 0.00 175.02 175.97 1k9s n GLY 65 N 2.74 1.70 0.19 -0.03 0.00 -1.25 -4.40 105.19 104.15 1k9s n GLY 65 Ca -0.18 -1.74 -0.06 0.00 0.00 0.00 0.00 46.02 44.04 1k9s n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k9s h ILE 66 N 0.00 0.98 -0.85 -0.61 2.04 -1.74 -2.25 117.51 115.09 1k9s h ILE 66 Ca 0.00 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.74 1k9s h ILE 66 Cb 0.00 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 1k9s h ILE 66 CO 0.00 0.08 0.55 -0.65 0.00 0.00 0.00 178.15 178.13 1k9s h PRO 67 N 0.45 1.04 0.33 2.37 0.11 -1.90 -0.21 132.00 134.18 1k9s h PRO 67 Ca 0.19 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 1k9s h PRO 67 Cb 0.09 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 30.97 1k9s h PRO 67 CO -0.13 0.69 -0.16 1.03 -0.21 0.00 0.00 178.00 179.22 1k9s h SER 68 N 1.07 -0.37 0.62 -2.05 0.87 -1.69 -3.09 113.55 108.91 1k9s h SER 68 Ca 0.34 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1k9s h SER 68 Cb -0.01 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1k9s h SER 68 CO -0.11 -0.10 -0.13 0.00 -0.53 0.00 0.00 176.83 175.96 1k9s h SER 70 N 0.00 0.41 0.30 0.00 0.02 -0.99 -0.88 113.55 112.41 1k9s h SER 70 Ca -0.00 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1k9s h SER 70 Cb 0.47 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1k9s h SER 70 CO 0.02 0.74 -0.14 0.40 -1.14 0.00 0.00 176.83 176.70 1k9s h ILE 71 N 0.34 0.72 -0.41 3.27 2.04 -1.40 -2.37 117.51 119.69 1k9s h ILE 71 Ca 0.04 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1k9s h ILE 71 Cb 0.79 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1k9s h ILE 71 CO 0.06 0.11 0.05 1.88 0.00 0.00 0.00 178.15 180.25 1k9s h TYR 72 N -0.70 0.75 -0.55 1.37 0.05 -1.49 -2.05 116.97 114.34 1k9s h TYR 72 Ca -0.04 -0.11 -0.09 0.00 0.05 0.00 0.00 58.73 58.54 1k9s h TYR 72 Cb 0.48 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 1k9s h TYR 72 CO 0.02 0.74 -0.02 1.79 -1.05 0.00 0.00 178.16 179.63 1k9s h THR 73 N 0.55 1.26 0.13 -2.88 1.35 -1.25 -1.38 112.91 110.69 1k9s h THR 73 Ca 0.12 -1.13 -0.01 0.00 -0.55 0.00 0.00 66.41 64.85 1k9s h THR 73 Cb 0.41 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1k9s h THR 73 CO 0.01 0.40 -0.06 0.50 -0.25 0.00 0.00 175.52 176.12 1k9s h LYS 74 N 0.87 -0.17 -0.94 4.72 3.11 -1.33 -1.95 116.57 120.87 1k9s h LYS 74 Ca 0.16 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 58.05 1k9s h LYS 74 Cb 0.55 0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 31.76 1k9s h LYS 74 CO 0.03 -0.04 0.61 0.93 -2.81 0.00 0.00 179.45 178.16 1k9s h GLU 75 N -0.27 1.12 -0.82 1.90 5.08 -1.25 -0.35 114.58 120.00 1k9s h GLU 75 Ca -0.02 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1k9s h GLU 75 Cb 0.21 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1k9s h GLU 75 CO 0.03 0.74 0.45 -0.07 -1.00 0.00 0.00 179.01 179.16 1k9s h LEU 76 N 1.16 1.02 -0.03 1.33 3.38 -1.09 0.78 115.31 121.86 1k9s h LEU 76 Ca 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1k9s h LEU 76 Cb 0.06 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1k9s h LEU 76 CO -0.14 0.83 -0.02 0.40 0.09 0.00 0.00 178.44 179.60 1k9s h ILE 77 N 1.14 1.38 0.14 1.22 2.04 -0.59 -2.21 117.51 120.62 1k9s h ILE 77 Ca 0.29 -1.15 -0.30 0.00 1.00 0.00 0.00 64.86 64.70 1k9s h ILE 77 Cb 0.03 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1k9s h ILE 77 CO -0.05 0.31 -1.41 0.71 0.00 0.00 0.00 178.15 177.71 1k9s h THR 78 N -0.39 1.30 0.00 -0.27 1.35 -1.00 -3.29 112.91 110.61 1k9s h THR 78 Ca 0.00 -2.89 0.00 0.00 -0.55 0.00 0.00 66.41 62.98 1k9s h THR 78 Cb 0.51 2.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1k9s h THR 78 CO 0.01 0.85 -1.67 0.47 -0.25 0.00 0.00 175.52 174.92 1k9s n ASP 79 N -3.52 0.28 -0.08 5.36 9.92 0.26 -4.59 116.55 124.17 1k9s n ASP 79 Ca -0.13 -0.10 0.04 0.00 -0.53 0.00 0.00 54.79 54.06 1k9s n ASP 79 Cb 1.04 1.59 0.05 0.00 -0.64 0.00 0.00 41.12 43.16 1k9s n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1k9s n PHE 80 N -2.19 0.00 -1.48 1.24 3.72 -0.94 -4.40 117.46 113.40 1k9s n PHE 80 Ca -0.02 -0.57 -0.17 0.00 -0.05 0.00 0.00 57.45 56.65 1k9s n PHE 80 Cb 0.53 -0.08 -0.07 0.00 -0.94 0.00 0.00 39.48 38.92 1k9s n PHE 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1k9s n GLY 81 N -0.72 1.61 3.73 1.37 0.00 -1.13 -4.65 105.19 105.39 1k9s n GLY 81 Ca 0.06 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1k9s n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k9s s VAL 82 N -2.48 3.04 -0.19 1.61 1.01 -0.88 -4.76 120.40 117.76 1k9s s VAL 82 Ca 0.00 0.80 0.09 0.00 0.00 0.00 0.00 61.98 62.87 1k9s s VAL 82 Cb 0.00 -3.51 -0.18 0.00 0.00 0.00 0.00 36.38 32.69 1k9s s VAL 82 CO 0.00 0.10 -0.06 0.29 0.00 0.00 0.00 175.10 175.43 1k9s n LYS 83 N 3.18 0.93 -4.49 2.72 4.76 0.02 -4.52 118.16 120.76 1k9s n LYS 83 Ca 0.09 0.05 -0.21 0.00 -2.87 0.00 0.00 58.31 55.37 1k9s n LYS 83 Cb 0.41 -1.43 -0.15 0.00 -1.84 0.00 0.00 35.03 32.02 1k9s n LYS 83 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1k9s s LYS 84 N -2.42 1.03 -0.09 1.97 1.02 -0.73 -1.61 119.74 118.92 1k9s s LYS 84 Ca -0.18 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 55.45 1k9s s LYS 84 Cb 0.06 -0.96 0.01 0.00 -0.52 0.00 0.00 37.83 36.42 1k9s s LYS 84 CO 0.60 0.19 -0.14 0.42 -0.92 0.00 0.00 175.35 175.50 1k9s s ILE 85 N -0.04 1.31 -0.25 2.17 1.01 -0.33 -1.59 121.20 123.48 1k9s s ILE 85 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.12 1k9s s ILE 85 Cb -0.07 -1.20 0.05 0.00 0.01 0.00 0.00 42.46 41.25 1k9s s ILE 85 CO 0.00 0.40 -0.12 -0.63 0.00 0.00 0.00 174.94 174.59 1k9s s ILE 86 N 0.85 2.20 0.10 2.92 1.01 -0.34 -1.34 121.20 126.59 1k9s s ILE 86 Ca -0.10 -1.51 -0.27 0.00 0.00 0.00 0.00 60.65 58.76 1k9s s ILE 86 Cb -0.15 -2.24 -0.06 0.00 0.01 0.00 0.00 42.46 40.02 1k9s s ILE 86 CO 0.01 0.06 0.86 -0.60 0.00 0.00 0.00 174.94 175.27 1k9s s ARG 87 N 1.14 4.61 -0.38 2.79 3.52 0.71 0.05 118.95 131.39 1k9s s ARG 87 Ca -0.07 1.26 0.03 0.00 -0.13 0.00 0.00 55.73 56.82 1k9s s ARG 87 Cb -0.19 -3.35 0.11 0.00 -1.56 0.00 0.00 34.95 29.96 1k9s s ARG 87 CO -0.06 0.30 0.13 0.14 -0.81 0.00 0.00 175.30 175.00 1k9s s VAL 88 N -0.22 1.93 0.00 7.11 -7.23 -0.61 -1.09 120.40 120.30 1k9s s VAL 88 Ca 0.42 -2.38 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1k9s s VAL 88 Cb -0.22 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.31 1k9s s VAL 88 CO 0.27 -0.70 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 1k9s n GLY 89 N 4.05 6.98 3.48 2.32 0.00 -0.24 -4.10 105.19 117.68 1k9s n GLY 89 Ca 0.04 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 43.95 1k9s n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k9s s SER 90 N 0.90 3.31 0.16 1.61 1.04 -1.26 -0.93 113.70 118.53 1k9s s SER 90 Ca 0.00 -1.15 -0.20 0.00 0.48 0.00 0.00 55.95 55.08 1k9s s SER 90 Cb 0.00 -0.27 0.05 0.00 0.10 0.00 0.00 66.02 65.91 1k9s s SER 90 CO 0.00 -0.20 0.54 0.00 0.98 0.00 0.00 173.24 174.56 1k9s s GLY 92 N -2.79 2.20 0.11 0.00 0.00 0.08 -0.84 107.32 106.08 1k9s s GLY 92 Ca 0.03 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 44.04 1k9s s GLY 92 CO -0.11 -0.69 0.01 0.00 0.00 0.00 0.00 173.10 172.31 1k9s s ALA 93 N -1.45 3.30 -0.01 3.20 0.00 -0.21 0.09 121.76 126.69 1k9s s ALA 93 Ca 0.32 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1k9s s ALA 93 Cb -0.13 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 1k9s s ALA 93 CO 0.24 0.65 0.03 1.33 0.00 0.00 0.00 175.76 178.00 1k9s n VAL 94 N 0.38 0.00 -2.73 0.00 0.24 -1.26 -0.72 118.33 114.24 1k9s n VAL 94 Ca -0.10 -0.07 -0.39 0.00 -2.04 0.00 0.00 64.34 61.73 1k9s n VAL 94 Cb 0.53 0.52 -0.06 0.00 -1.47 0.00 0.00 33.84 33.36 1k9s n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1k9s s LEU 95 N -2.98 4.58 0.39 1.34 1.43 -1.26 -4.81 118.68 117.36 1k9s s LEU 95 Ca -0.00 1.96 0.06 0.00 -1.03 0.00 0.00 54.13 55.11 1k9s s LEU 95 Cb 0.01 -3.69 0.79 0.00 0.03 0.00 0.00 46.19 43.33 1k9s s LEU 95 CO 0.05 0.08 2.04 1.55 0.23 0.00 0.00 176.35 180.30 1k9s h PRO 96 N 3.92 0.63 -0.25 1.29 0.13 -1.99 -2.81 132.00 132.91 1k9s h PRO 96 Ca -0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1k9s h PRO 96 Cb 1.20 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1k9s h PRO 96 CO 0.67 0.42 0.00 0.72 -0.23 0.00 0.00 178.00 179.58 1k9s n HIS 97 N -4.46 0.33 -3.52 1.56 8.25 -1.26 -4.79 115.22 111.33 1k9s n HIS 97 Ca 0.04 -0.16 -0.38 0.00 -0.26 0.00 0.00 57.72 56.96 1k9s n HIS 97 Cb 0.06 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.08 1k9s n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1k9s s VAL 98 N -1.67 5.27 0.30 1.59 1.01 -1.06 -5.07 120.40 120.76 1k9s s VAL 98 Ca 0.32 0.42 0.08 0.00 0.00 0.00 0.00 61.98 62.79 1k9s s VAL 98 Cb 0.17 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1k9s s VAL 98 CO 0.25 0.27 0.22 -0.54 0.00 0.00 0.00 175.10 175.30 1k9s s LYS 99 N 1.40 2.73 0.28 2.72 -0.14 -1.26 -4.86 119.74 120.61 1k9s s LYS 99 Ca 0.13 -1.24 -0.30 0.00 -1.36 0.00 0.00 55.97 53.19 1k9s s LYS 99 Cb -0.15 -2.45 -0.13 0.00 -1.68 0.00 0.00 37.83 33.42 1k9s s LYS 99 CO 0.07 0.23 1.33 -0.11 -0.76 0.00 0.00 175.35 176.11 1k9s n LEU 100 N -1.25 3.13 0.00 3.17 7.94 -1.26 -1.44 117.00 127.29 1k9s n LEU 100 Ca -0.04 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.02 1k9s n LEU 100 Cb 0.59 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 43.11 1k9s n LEU 100 CO 0.43 -0.57 0.00 0.54 -1.11 0.00 0.00 177.39 176.67 1k9s n ARG 101 N 1.42 -0.11 -2.01 1.96 1.74 0.13 -4.94 116.66 114.85 1k9s n ARG 101 Ca 0.09 0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.86 1k9s n ARG 101 Cb 0.33 -3.05 0.03 0.00 -1.02 0.00 0.00 32.46 28.75 1k9s n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1k9s s ASP 102 N -2.58 5.39 -0.17 0.55 1.01 -0.52 -4.63 116.67 115.71 1k9s s ASP 102 Ca 0.00 2.12 -0.06 0.00 0.71 0.00 0.00 52.55 55.32 1k9s s ASP 102 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 1k9s s ASP 102 CO 0.00 -1.44 0.03 -0.69 0.21 0.00 0.00 175.17 173.28 1k9s s VAL 103 N -2.00 4.51 0.03 -1.27 1.01 -1.26 -1.12 120.40 120.30 1k9s s VAL 103 Ca 0.71 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.61 1k9s s VAL 103 Cb -0.23 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1k9s s VAL 103 CO 0.34 0.48 -0.18 0.68 0.00 0.00 0.00 175.10 176.42 1k9s s VAL 104 N 0.30 1.45 -0.17 2.92 -7.23 -0.10 -2.42 120.40 115.15 1k9s s VAL 104 Ca 0.01 -1.06 -0.01 0.00 -1.81 0.00 0.00 61.98 59.11 1k9s s VAL 104 Cb -0.13 -1.26 -0.01 0.00 0.56 0.00 0.00 36.38 35.54 1k9s s VAL 104 CO 0.01 0.18 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.24 1k9s s ILE 105 N -0.74 3.01 -0.88 -0.62 1.01 0.48 -0.86 121.20 122.59 1k9s s ILE 105 Ca 0.06 -0.65 -0.19 0.00 0.00 0.00 0.00 60.65 59.87 1k9s s ILE 105 Cb -0.08 -2.30 0.12 0.00 0.01 0.00 0.00 42.46 40.21 1k9s s ILE 105 CO 0.01 0.49 1.09 -0.83 0.00 0.00 0.00 174.94 175.70 1k9s s GLY 106 N 0.89 1.86 0.39 6.18 0.00 -0.24 -1.43 107.32 114.96 1k9s s GLY 106 Ca -0.03 -2.63 0.15 0.00 0.00 0.00 0.00 44.72 42.21 1k9s s GLY 106 CO -0.00 1.99 1.83 1.98 0.00 0.00 0.00 173.10 178.91 1k9s h MET 107 N 8.93 0.00 -4.49 2.90 4.05 -1.37 -3.40 114.93 121.55 1k9s h MET 107 Ca 0.08 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.30 1k9s h MET 107 Cb 1.03 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 31.68 1k9s h MET 107 CO 1.11 0.35 -0.66 0.20 0.23 0.00 0.00 176.91 178.15 1k9s s GLY 108 N -4.31 0.96 -0.09 1.39 0.00 -1.15 -0.95 107.32 103.17 1k9s s GLY 108 Ca -0.02 -1.46 -0.03 0.00 0.00 0.00 0.00 44.72 43.21 1k9s s GLY 108 CO 0.70 -1.40 0.12 0.00 0.00 0.00 0.00 173.10 172.53 1k9s s ALA 109 N -3.93 0.05 0.79 3.20 0.00 0.16 -1.37 121.76 120.66 1k9s s ALA 109 Ca 0.21 0.27 -0.12 0.00 0.00 0.00 0.00 51.96 52.32 1k9s s ALA 109 Cb 0.07 -0.83 0.07 0.00 0.00 0.00 0.00 23.12 22.42 1k9s s ALA 109 CO 0.00 -0.70 1.15 0.00 0.00 0.00 0.00 175.76 176.22 1k9s s THR 111 N -3.49 0.00 -0.91 0.00 -1.32 -1.26 -0.16 115.64 108.49 1k9s s THR 111 Ca 0.61 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.22 1k9s s THR 111 Cb -0.11 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.25 1k9s s THR 111 CO 0.50 0.00 1.31 -0.90 -2.21 0.00 0.00 174.62 173.32 1k9s n ASP 112 N 0.12 3.18 -4.85 8.08 5.68 -1.21 -4.97 116.55 122.58 1k9s n ASP 112 Ca -0.13 -2.14 -0.31 0.00 -0.50 0.00 0.00 54.79 51.71 1k9s n ASP 112 Cb 0.61 -0.30 0.02 0.00 -1.14 0.00 0.00 41.12 40.31 1k9s n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1k9s s SER 113 N -1.11 6.03 0.00 -1.12 0.15 -1.26 -4.86 113.70 111.53 1k9s s SER 113 Ca 0.28 1.49 0.24 0.00 0.70 0.00 0.00 55.95 58.66 1k9s s SER 113 Cb 0.16 -2.48 0.21 0.00 -1.71 0.00 0.00 66.02 62.20 1k9s s SER 113 CO 0.16 -1.00 1.25 1.17 1.20 0.00 0.00 173.24 176.02 1k9s n LYS 114 N -2.74 1.85 -0.29 5.44 4.81 -1.26 -4.64 118.16 121.33 1k9s n LYS 114 Ca 0.07 -1.49 0.00 0.00 -0.87 0.00 0.00 58.31 56.01 1k9s n LYS 114 Cb 0.54 -1.47 0.19 0.00 0.02 0.00 0.00 35.03 34.31 1k9s n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1k9s h VAL 115 N 3.64 1.20 0.00 3.15 -1.51 -2.00 -1.52 116.25 119.21 1k9s h VAL 115 Ca 0.00 -0.40 -0.13 0.00 -1.23 0.00 0.00 66.70 64.95 1k9s h VAL 115 Cb 0.86 -0.05 -0.02 0.00 -2.13 0.00 0.00 31.29 29.95 1k9s h VAL 115 CO 0.00 0.21 -0.60 0.78 -1.23 0.00 0.00 177.57 176.73 1k9s h ASN 116 N 1.15 0.00 0.10 4.19 -0.26 -1.94 -2.37 115.58 116.45 1k9s h ASN 116 Ca 0.33 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.96 1k9s h ASN 116 Cb -0.09 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 1k9s h ASN 116 CO -0.08 0.60 -0.37 0.03 -1.06 0.00 0.00 177.43 176.55 1k9s h ARG 117 N 0.00 0.37 -0.40 0.81 3.08 -1.65 0.12 114.38 116.71 1k9s h ARG 117 Ca -0.01 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 1k9s h ARG 117 Cb 1.24 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 1k9s h ARG 117 CO 0.08 0.69 -0.10 0.82 -1.07 0.00 0.00 179.97 180.39 1k9s h ILE 118 N 0.32 1.25 0.03 2.04 2.04 -1.03 0.10 117.51 122.26 1k9s h ILE 118 Ca 0.03 -1.11 -0.22 0.00 1.00 0.00 0.00 64.86 64.57 1k9s h ILE 118 Cb 0.80 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1k9s h ILE 118 CO 0.06 0.38 -0.97 0.03 0.00 0.00 0.00 178.15 177.65 1k9s h ARG 119 N 0.65 0.19 -0.82 2.37 3.08 -1.05 -3.38 114.38 115.41 1k9s h ARG 119 Ca 0.12 -0.24 -0.58 0.00 0.07 0.00 0.00 59.98 59.35 1k9s h ARG 119 Cb 0.54 0.08 -0.37 0.00 0.08 0.00 0.00 29.97 30.30 1k9s h ARG 119 CO 0.03 1.02 -0.22 0.34 -1.07 0.00 0.00 179.97 180.07 1k9s n PHE 120 N -3.59 2.86 -3.65 3.04 7.35 0.40 -4.93 117.46 118.94 1k9s n PHE 120 Ca -0.04 -2.48 -0.28 0.00 -0.76 0.00 0.00 57.45 53.89 1k9s n PHE 120 Cb 0.87 -0.73 0.01 0.00 0.35 0.00 0.00 39.48 39.98 1k9s n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1k9s n LYS 121 N -0.80 -4.32 -1.45 -4.13 5.02 -1.16 -1.60 118.16 109.72 1k9s n LYS 121 Ca 0.50 0.55 -0.15 0.00 -2.02 0.00 0.00 58.31 57.19 1k9s n LYS 121 Cb 0.87 -5.35 -0.07 0.00 -0.02 0.00 0.00 35.03 30.46 1k9s n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1k9s n ASP 122 N -2.56 -4.91 -2.67 4.39 2.03 0.34 -5.01 116.55 108.16 1k9s n ASP 122 Ca 0.01 0.38 -0.04 0.00 0.52 0.00 0.00 54.79 55.66 1k9s n ASP 122 Cb 0.54 -3.77 0.02 0.00 -0.72 0.00 0.00 41.12 37.18 1k9s n ASP 122 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1k9s n HIS 123 N -2.54 -2.83 -3.18 -0.67 8.25 -0.63 -5.01 115.22 108.62 1k9s n HIS 123 Ca -0.15 -0.49 -0.43 0.00 -0.26 0.00 0.00 57.72 56.39 1k9s n HIS 123 Cb 0.52 -0.13 -0.07 0.00 1.12 0.00 0.00 29.99 31.43 1k9s n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k9s s ASP 124 N -1.82 6.27 -0.24 0.41 1.11 -1.26 -4.61 116.67 116.52 1k9s s ASP 124 Ca 0.14 -0.53 -0.15 0.00 0.18 0.00 0.00 52.55 52.19 1k9s s ASP 124 Cb -0.01 -2.29 -0.04 0.00 1.07 0.00 0.00 42.92 41.65 1k9s s ASP 124 CO 0.09 -0.74 0.37 0.12 1.18 0.00 0.00 175.17 176.19 1k9s s PHE 125 N 2.60 3.30 -0.55 4.23 5.36 -1.26 -5.03 117.98 126.63 1k9s s PHE 125 Ca 0.18 0.48 -0.27 0.00 -0.96 0.00 0.00 56.93 56.36 1k9s s PHE 125 Cb -0.16 -2.54 0.03 0.00 -0.34 0.00 0.00 43.02 40.02 1k9s s PHE 125 CO 0.16 -0.13 1.12 0.00 -1.46 0.00 0.00 175.22 174.91 1k9s s ALA 126 N 1.72 3.07 -0.53 11.12 0.00 -1.26 -4.96 121.76 130.93 1k9s s ALA 126 Ca 0.16 -0.83 -0.28 0.00 0.00 0.00 0.00 51.96 51.01 1k9s s ALA 126 Cb -0.15 -3.93 0.02 0.00 0.00 0.00 0.00 23.12 19.06 1k9s s ALA 126 CO 0.09 -2.49 1.33 0.00 0.00 0.00 0.00 175.76 174.69 1k9s s ALA 127 N 4.59 2.94 0.23 0.00 0.00 -1.26 -4.98 121.76 123.27 1k9s s ALA 127 Ca 0.41 -0.59 0.10 0.00 0.00 0.00 0.00 51.96 51.88 1k9s s ALA 127 Cb -0.08 -4.03 -0.05 0.00 0.00 0.00 0.00 23.12 18.95 1k9s s ALA 127 CO 0.26 -2.69 -0.17 0.96 0.00 0.00 0.00 175.76 174.11 1k9s s ILE 128 N 5.50 2.04 0.73 0.00 -4.36 -1.26 -0.66 121.20 123.20 1k9s s ILE 128 Ca 0.51 -2.25 -0.07 0.00 -0.26 0.00 0.00 60.65 58.59 1k9s s ILE 128 Cb -0.10 -2.12 0.08 0.00 1.25 0.00 0.00 42.46 41.57 1k9s s ILE 128 CO 0.27 -0.48 1.04 0.00 0.24 0.00 0.00 174.94 176.02 1k9s s ALA 129 N -2.65 3.11 0.01 2.27 0.00 -0.12 -4.84 121.76 119.54 1k9s s ALA 129 Ca 0.24 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 1k9s s ALA 129 Cb -0.03 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 1k9s s ALA 129 CO 0.10 -1.42 1.11 0.34 0.00 0.00 0.00 175.76 175.88 1k9s s ASP 130 N -4.57 7.19 0.19 0.00 2.15 -0.54 -4.95 116.67 116.13 1k9s s ASP 130 Ca 0.62 1.82 -0.12 0.00 0.43 0.00 0.00 52.55 55.30 1k9s s ASP 130 Cb -0.10 -2.57 0.15 0.00 -0.30 0.00 0.00 42.92 40.10 1k9s s ASP 130 CO 0.45 -0.41 1.80 0.15 -0.17 0.00 0.00 175.17 176.99 1k9s h PHE 131 N 6.93 0.56 -0.84 -5.34 3.57 -1.96 -2.08 116.94 117.78 1k9s h PHE 131 Ca -0.39 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.11 1k9s h PHE 131 Cb 1.20 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 1k9s h PHE 131 CO 0.69 0.28 0.47 -0.44 -2.23 0.00 0.00 178.31 177.08 1k9s h ASP 132 N 0.58 1.04 -0.60 0.41 3.32 -1.99 -0.22 116.42 118.97 1k9s h ASP 132 Ca 0.24 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 1k9s h ASP 132 Cb 0.11 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1k9s h ASP 132 CO -0.14 0.83 0.21 0.24 -1.72 0.00 0.00 179.24 178.66 1k9s h MET 133 N 1.17 0.95 -0.24 3.56 2.86 -1.86 0.17 114.93 121.54 1k9s h MET 133 Ca 0.30 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1k9s h MET 133 Cb 0.02 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 1k9s h MET 133 CO -0.05 0.81 0.09 0.28 1.06 0.00 0.00 176.91 179.10 1k9s h VAL 134 N 0.93 1.18 -0.73 -2.22 2.07 -0.72 -1.20 116.25 115.55 1k9s h VAL 134 Ca 0.21 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1k9s h VAL 134 Cb 0.25 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1k9s h VAL 134 CO -0.01 0.18 0.46 -0.09 0.02 0.00 0.00 177.57 178.13 1k9s h ARG 135 N 0.23 0.98 -0.78 1.57 2.43 -0.52 -0.80 114.38 117.50 1k9s h ARG 135 Ca 0.08 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1k9s h ARG 135 Cb 0.20 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1k9s h ARG 135 CO -0.01 0.68 0.37 -0.91 -1.51 0.00 0.00 179.97 178.59 1k9s h ASN 136 N 1.00 1.02 -0.46 -3.80 2.35 -0.48 -0.93 115.58 114.27 1k9s h ASN 136 Ca 0.27 -0.12 -0.14 0.00 -0.55 0.00 0.00 56.30 55.76 1k9s h ASN 136 Cb -0.07 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 1k9s h ASN 136 CO -0.05 0.86 -0.24 0.00 -1.65 0.00 0.00 177.43 176.34 1k9s h ALA 137 N 1.30 0.65 -0.40 -0.83 0.00 -0.67 -0.52 119.26 118.78 1k9s h ALA 137 Ca 0.27 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1k9s h ALA 137 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1k9s h ALA 137 CO -0.03 0.65 0.13 0.28 0.00 0.00 0.00 179.25 180.28 1k9s h VAL 138 N 0.82 1.22 -0.61 0.00 2.07 -0.86 -1.02 116.25 117.86 1k9s h VAL 138 Ca 0.10 -0.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 1k9s h VAL 138 Cb 0.83 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1k9s h VAL 138 CO 0.07 0.25 0.05 0.44 0.02 0.00 0.00 177.57 178.40 1k9s h ASP 139 N 0.51 1.00 -0.47 0.57 3.32 -1.11 -1.51 116.42 118.73 1k9s h ASP 139 Ca 0.13 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 1k9s h ASP 139 Cb 0.26 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1k9s h ASP 139 CO -0.00 1.03 0.13 0.00 -1.72 0.00 0.00 179.24 178.67 1k9s h ALA 140 N 1.08 0.61 -0.82 3.45 0.00 -0.91 -1.74 119.26 120.93 1k9s h ALA 140 Ca 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k9s h ALA 140 Cb 0.49 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1k9s h ALA 140 CO 0.02 0.29 0.50 0.00 0.00 0.00 0.00 179.25 180.05 1k9s h ALA 141 N 0.99 1.04 -0.05 0.00 0.00 -0.95 -1.37 119.26 118.91 1k9s h ALA 141 Ca 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1k9s h ALA 141 Cb 0.30 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1k9s h ALA 141 CO -0.00 0.50 0.03 -0.22 0.00 0.00 0.00 179.25 179.56 1k9s h LYS 142 N 1.12 0.07 -0.38 0.00 3.64 -1.02 0.28 116.57 120.28 1k9s h LYS 142 Ca 0.29 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1k9s h LYS 142 Cb -0.05 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1k9s h LYS 142 CO -0.06 0.08 0.25 0.00 -2.27 0.00 0.00 179.45 177.45 1k9s h ALA 143 N 0.99 1.76 -0.00 5.00 0.00 -0.99 -0.57 119.26 125.45 1k9s h ALA 143 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k9s h ALA 143 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1k9s h ALA 143 CO -0.00 0.21 -0.13 1.28 0.00 0.00 0.00 179.25 180.61 1k9s n LEU 144 N -4.48 0.49 -0.93 0.00 4.77 -0.55 -4.92 117.00 111.38 1k9s n LEU 144 Ca 0.03 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 1k9s n LEU 144 Cb 0.08 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1k9s n LEU 144 CO 0.35 0.09 -0.11 0.61 -1.33 0.00 0.00 177.39 177.01 1k9s n GLY 145 N 1.30 0.34 3.50 -0.72 0.00 -0.22 -5.02 105.19 104.37 1k9s n GLY 145 Ca 0.13 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 1k9s n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k9s s ILE 146 N -2.42 3.98 0.36 -0.61 1.01 -0.06 -5.02 121.20 118.44 1k9s s ILE 146 Ca 0.00 -0.32 -0.26 0.00 0.00 0.00 0.00 60.65 60.07 1k9s s ILE 146 Cb 0.00 -2.76 -0.09 0.00 0.01 0.00 0.00 42.46 39.62 1k9s s ILE 146 CO 0.00 0.47 1.08 -1.81 0.00 0.00 0.00 174.94 174.68 1k9s s ASP 147 N 0.52 6.88 -0.17 3.58 1.01 -1.26 -4.27 116.67 122.95 1k9s s ASP 147 Ca -0.02 2.15 -0.08 0.00 0.71 0.00 0.00 52.55 55.31 1k9s s ASP 147 Cb -0.14 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.26 1k9s s ASP 147 CO 0.02 -0.41 0.40 0.00 0.21 0.00 0.00 175.17 175.40 1k9s s ALA 148 N -1.47 -1.04 0.16 5.23 0.00 -1.26 -4.27 121.76 119.12 1k9s s ALA 148 Ca 0.54 1.47 -0.14 0.00 0.00 0.00 0.00 51.96 53.82 1k9s s ALA 148 Cb -0.26 -1.06 -0.07 0.00 0.00 0.00 0.00 23.12 21.72 1k9s s ALA 148 CO 0.33 -0.46 0.56 1.03 0.00 0.00 0.00 175.76 177.22 1k9s s ARG 149 N 1.88 3.97 -0.13 0.00 0.52 -1.02 -4.92 118.95 119.25 1k9s s ARG 149 Ca -0.06 0.48 0.01 0.00 -0.52 0.00 0.00 55.73 55.64 1k9s s ARG 149 Cb -0.10 -2.89 -0.01 0.00 0.52 0.00 0.00 34.95 32.48 1k9s s ARG 149 CO -0.12 0.45 -0.16 0.08 0.02 0.00 0.00 175.30 175.56 1k9s s VAL 150 N -1.52 2.69 -0.02 3.52 1.01 -1.26 -0.39 120.40 124.43 1k9s s VAL 150 Ca 0.39 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1k9s s VAL 150 Cb -0.14 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1k9s s VAL 150 CO 0.19 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.43 1k9s n GLY 151 N 3.68 -0.76 3.82 4.51 0.00 -0.52 -4.95 105.19 110.97 1k9s n GLY 151 Ca -0.19 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 1k9s n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k9s s ASN 152 N -4.00 6.97 0.34 1.61 0.01 -1.26 -1.00 114.94 117.61 1k9s s ASN 152 Ca 0.00 1.15 0.08 0.00 -0.71 0.00 0.00 52.86 53.38 1k9s s ASN 152 Cb 0.00 -2.32 -0.03 0.00 0.41 0.00 0.00 41.25 39.31 1k9s s ASN 152 CO 0.00 0.29 0.25 -0.76 -1.51 0.00 0.00 177.10 175.37 1k9s s LEU 153 N -1.13 3.50 -0.15 0.60 1.43 -0.47 -0.90 118.68 121.56 1k9s s LEU 153 Ca 0.27 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1k9s s LEU 153 Cb -0.18 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 43.98 1k9s s LEU 153 CO 0.17 -0.33 -0.18 0.12 0.23 0.00 0.00 176.35 176.36 1k9s s PHE 154 N -2.34 2.42 -0.48 0.29 2.19 -0.27 -0.46 117.98 119.34 1k9s s PHE 154 Ca 0.40 -1.33 -0.16 0.00 0.33 0.00 0.00 56.93 56.17 1k9s s PHE 154 Cb -0.05 -1.71 0.07 0.00 -1.31 0.00 0.00 43.02 40.02 1k9s s PHE 154 CO 0.25 -0.67 0.43 -1.12 1.83 0.00 0.00 175.22 175.94 1k9s s SER 155 N 1.20 6.16 0.24 6.13 0.01 0.77 -0.83 113.70 127.39 1k9s s SER 155 Ca 0.01 -1.26 -0.11 0.00 1.31 0.00 0.00 55.95 55.90 1k9s s SER 155 Cb -0.14 -2.20 -0.07 0.00 0.21 0.00 0.00 66.02 63.82 1k9s s SER 155 CO -0.08 -0.68 0.58 0.00 0.41 0.00 0.00 173.24 173.46 1k9s s ALA 156 N 1.79 3.53 -0.05 1.44 0.00 0.52 -3.28 121.76 125.71 1k9s s ALA 156 Ca 0.06 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.82 1k9s s ALA 156 Cb -0.23 -2.48 -0.25 0.00 0.00 0.00 0.00 23.12 20.15 1k9s s ALA 156 CO 0.07 0.48 0.65 -0.44 0.00 0.00 0.00 175.76 176.53 1k9s h ASP 157 N 2.54 0.23 -3.66 0.00 5.19 -1.89 -3.41 116.42 115.43 1k9s h ASP 157 Ca -0.47 -0.43 -0.68 0.00 -0.62 0.00 0.00 57.03 54.83 1k9s h ASP 157 Cb 1.17 -0.07 -0.30 0.00 0.18 0.00 0.00 39.33 40.31 1k9s h ASP 157 CO 0.68 1.37 -0.66 -0.76 -3.12 0.00 0.00 179.24 176.76 1k9s s LEU 158 N -6.63 3.88 0.20 1.55 1.43 -1.26 -4.95 118.68 112.91 1k9s s LEU 158 Ca -0.11 -1.04 -0.10 0.00 -1.03 0.00 0.00 54.13 51.85 1k9s s LEU 158 Cb 0.07 -1.79 0.15 0.00 0.03 0.00 0.00 46.19 44.65 1k9s s LEU 158 CO 0.82 -0.24 1.83 0.15 0.23 0.00 0.00 176.35 179.14 1k9s h PHE 159 N 8.12 1.01 -3.15 0.29 3.04 -1.97 -3.19 116.94 121.08 1k9s h PHE 159 Ca -0.26 -0.02 -0.78 0.00 3.98 0.00 0.00 57.97 60.90 1k9s h PHE 159 Cb 1.09 -0.32 -0.30 0.00 2.56 0.00 0.00 35.95 38.98 1k9s h PHE 159 CO 0.60 0.69 0.46 0.66 -2.02 0.00 0.00 178.31 178.71 1k9s n TYR 160 N -4.48 3.69 -2.57 0.41 4.01 -1.26 -5.05 117.16 111.92 1k9s n TYR 160 Ca 0.07 -3.36 -0.40 0.00 -0.16 0.00 0.00 57.90 54.04 1k9s n TYR 160 Cb 0.08 -1.36 -0.05 0.00 -0.31 0.00 0.00 39.34 37.70 1k9s n TYR 160 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1k9s s SER 161 N -0.52 7.37 0.00 7.72 0.15 -1.21 -4.93 113.70 122.28 1k9s s SER 161 Ca 0.31 2.11 0.30 0.00 0.70 0.00 0.00 55.95 59.37 1k9s s SER 161 Cb -0.01 -2.61 1.53 0.00 -1.71 0.00 0.00 66.02 63.22 1k9s s SER 161 CO 0.00 -0.09 2.05 -0.81 1.20 0.00 0.00 173.24 175.59 1k9s n PRO 162 N 1.75 0.58 -3.43 5.44 -0.04 -1.26 -4.40 135.00 133.63 1k9s n PRO 162 Ca 0.00 -0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 62.98 1k9s n PRO 162 Cb 0.46 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1k9s n PRO 162 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1k9s s ASP 163 N -2.46 6.75 0.41 3.54 2.15 -1.26 -4.88 116.67 120.92 1k9s s ASP 163 Ca 0.32 -3.34 0.11 0.00 0.43 0.00 0.00 52.55 50.07 1k9s s ASP 163 Cb 0.21 -2.12 0.86 0.00 -0.30 0.00 0.00 42.92 41.56 1k9s s ASP 163 CO 0.45 -0.34 1.94 1.23 -0.17 0.00 0.00 175.17 178.27 1k9s h GLY 164 N 6.84 0.15 2.00 2.66 0.00 -2.02 -2.55 103.07 110.15 1k9s h GLY 164 Ca 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1k9s h GLY 164 CO 0.89 0.09 -0.01 -2.09 0.00 0.00 0.00 176.54 175.42 1k9s h GLU 165 N 0.14 0.00 -0.13 4.80 4.81 -1.97 -2.46 114.58 119.76 1k9s h GLU 165 Ca 0.03 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1k9s h GLU 165 Cb 0.37 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1k9s h GLU 165 CO 0.02 0.01 -0.05 1.98 -0.73 0.00 0.00 179.01 180.24 1k9s h MET 166 N 0.00 0.20 -0.27 1.92 4.05 -1.88 -1.95 114.93 117.00 1k9s h MET 166 Ca -0.00 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.35 1k9s h MET 166 Cb 0.07 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 1k9s h MET 166 CO 0.00 0.27 0.00 0.74 0.23 0.00 0.00 176.91 178.15 1k9s h PHE 167 N 0.19 0.40 -0.42 1.39 0.04 -1.64 0.09 116.94 116.99 1k9s h PHE 167 Ca 0.04 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.67 1k9s h PHE 167 Cb 0.23 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1k9s h PHE 167 CO 0.00 0.41 -0.20 -0.44 -0.60 0.00 0.00 178.31 177.48 1k9s h ASP 168 N 0.39 0.83 -0.31 2.17 3.32 -1.52 -0.85 116.42 120.45 1k9s h ASP 168 Ca 0.09 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.78 1k9s h ASP 168 Cb 0.25 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1k9s h ASP 168 CO 0.01 1.02 -0.04 0.58 -1.72 0.00 0.00 179.24 179.08 1k9s h VAL 169 N 0.72 1.27 -0.64 -1.35 2.07 -1.19 -1.17 116.25 115.96 1k9s h VAL 169 Ca 0.10 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.61 1k9s h VAL 169 Cb 0.72 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1k9s h VAL 169 CO 0.06 0.34 0.39 0.24 0.02 0.00 0.00 177.57 178.61 1k9s h MET 170 N 0.37 0.74 -0.53 1.57 2.86 -0.80 -1.34 114.93 117.80 1k9s h MET 170 Ca 0.08 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1k9s h MET 170 Cb 0.51 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1k9s h MET 170 CO 0.02 0.49 0.25 1.49 1.06 0.00 0.00 176.91 180.22 1k9s h GLU 171 N 0.76 0.76 -0.84 1.72 4.81 -0.99 -1.61 114.58 119.18 1k9s h GLU 171 Ca 0.26 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1k9s h GLU 171 Cb 0.05 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1k9s h GLU 171 CO -0.12 0.63 0.55 -0.22 -0.73 0.00 0.00 179.01 179.12 1k9s h LYS 172 N 0.71 1.11 -0.37 1.92 3.64 -0.67 -2.40 116.57 120.51 1k9s h LYS 172 Ca 0.18 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1k9s h LYS 172 Cb 0.12 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1k9s h LYS 172 CO -0.02 0.75 0.00 0.66 -2.27 0.00 0.00 179.45 178.56 1k9s n TYR 173 N -4.40 0.48 -1.02 1.91 4.02 -0.55 -4.93 117.16 112.67 1k9s n TYR 173 Ca 0.09 -0.23 -0.01 0.00 -0.01 0.00 0.00 57.90 57.75 1k9s n TYR 173 Cb 0.03 -0.02 -0.00 0.00 -0.02 0.00 0.00 39.34 39.33 1k9s n TYR 173 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1k9s n GLY 174 N 0.97 0.45 3.69 2.72 0.00 -0.90 -5.00 105.19 107.13 1k9s n GLY 174 Ca 0.11 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 1k9s n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k9s s ILE 175 N -2.02 2.48 0.11 -0.61 -1.09 -0.65 -4.61 121.20 114.81 1k9s s ILE 175 Ca 0.00 0.02 0.03 0.00 -2.23 0.00 0.00 60.65 58.47 1k9s s ILE 175 Cb 0.00 -3.01 -0.23 0.00 -1.58 0.00 0.00 42.46 37.64 1k9s s ILE 175 CO 0.00 0.00 1.25 -0.07 -1.23 0.00 0.00 174.94 174.89 1k9s h LEU 176 N 8.56 0.15 -7.00 2.97 3.38 -1.37 -3.41 115.31 118.58 1k9s h LEU 176 Ca -0.46 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.31 1k9s h LEU 176 Cb 1.22 -0.05 -0.19 0.00 0.09 0.00 0.00 40.66 41.73 1k9s h LEU 176 CO 0.95 1.11 0.23 -0.83 0.09 0.00 0.00 178.44 179.98 1k9s s GLY 177 N -4.68 -0.55 -0.27 0.83 0.00 -1.26 -4.60 107.32 96.79 1k9s s GLY 177 Ca -0.01 1.40 -0.07 0.00 0.00 0.00 0.00 44.72 46.04 1k9s s GLY 177 CO 0.84 0.97 0.08 0.14 0.00 0.00 0.00 173.10 175.13 1k9s s VAL 178 N -1.17 4.20 0.00 1.40 1.01 0.11 -1.12 120.40 124.83 1k9s s VAL 178 Ca -0.10 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1k9s s VAL 178 Cb -0.00 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1k9s s VAL 178 CO 0.09 0.23 0.00 -1.84 0.00 0.00 0.00 175.10 173.58 1k9s n GLU 179 N 4.91 0.80 -0.50 2.72 -0.00 -0.01 -0.74 120.64 127.82 1k9s n GLU 179 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.01 1k9s n GLU 179 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.94 1k9s n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1k9s n MET 180 N 0.00 0.00 0.00 3.44 2.81 -1.26 -0.36 117.12 121.75 1k9s n MET 180 Ca 0.00 -0.96 0.00 0.00 -1.81 0.00 0.00 57.70 54.93 1k9s n MET 180 Cb 0.00 -0.48 0.00 0.00 -0.71 0.00 0.00 33.22 32.03 1k9s n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1k9s n GLU 181 N 0.00 0.00 -0.24 0.03 4.71 -1.26 -2.13 120.64 121.75 1k9s n GLU 181 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.17 1k9s n GLU 181 Cb 0.69 -0.46 0.10 0.00 -1.01 0.00 0.00 31.44 30.76 1k9s n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1k9s h ALA 182 N 0.00 0.56 -0.40 0.62 0.00 -1.94 0.33 119.26 118.42 1k9s h ALA 182 Ca 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1k9s h ALA 182 Cb 0.00 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1k9s h ALA 182 CO 0.00 -0.42 0.24 0.00 0.00 0.00 0.00 179.25 179.07 1k9s h ALA 183 N 1.69 1.67 -0.13 0.00 0.00 -1.84 0.71 119.26 121.35 1k9s h ALA 183 Ca 0.35 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 55.00 1k9s h ALA 183 Cb 0.57 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1k9s h ALA 183 CO -0.69 0.29 -0.77 0.78 0.00 0.00 0.00 179.25 178.86 1k9s h GLY 184 N 0.59 0.75 1.00 0.00 0.00 -1.33 -1.81 103.07 102.26 1k9s h GLY 184 Ca 0.14 -1.07 -0.10 0.00 0.00 0.00 0.00 47.33 46.31 1k9s h GLY 184 CO -0.03 0.95 -0.13 -2.22 0.00 0.00 0.00 176.54 175.12 1k9s h ILE 185 N 0.47 1.28 -0.40 2.60 2.04 -0.62 -1.65 117.51 121.22 1k9s h ILE 185 Ca -0.05 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.53 1k9s h ILE 185 Cb 1.38 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 1k9s h ILE 185 CO 0.15 0.41 0.04 1.88 0.00 0.00 0.00 178.15 180.64 1k9s h TYR 186 N 0.61 0.64 -0.43 1.37 0.05 -0.89 -0.28 116.97 118.05 1k9s h TYR 186 Ca 0.10 -0.06 -0.10 0.00 0.05 0.00 0.00 58.73 58.72 1k9s h TYR 186 Cb 0.66 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 1k9s h TYR 186 CO 0.05 0.59 -0.12 0.78 -1.05 0.00 0.00 178.16 178.41 1k9s h GLY 187 N 0.87 0.91 0.99 3.88 0.00 -1.12 -2.14 103.07 106.46 1k9s h GLY 187 Ca 0.13 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.63 1k9s h GLY 187 CO 0.01 0.69 0.07 -2.08 0.00 0.00 0.00 176.54 175.23 1k9s h VAL 188 N 0.66 1.25 -0.70 4.60 2.07 -0.97 -0.84 116.25 122.32 1k9s h VAL 188 Ca 0.11 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.68 1k9s h VAL 188 Cb 0.66 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1k9s h VAL 188 CO 0.05 0.34 0.46 0.00 0.02 0.00 0.00 177.57 178.44 1k9s h ALA 189 N 0.97 0.91 -0.37 1.67 0.00 -0.97 -0.29 119.26 121.17 1k9s h ALA 189 Ca 0.15 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1k9s h ALA 189 Cb 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1k9s h ALA 189 CO 0.01 0.27 -0.22 0.00 0.00 0.00 0.00 179.25 179.32 1k9s h ALA 190 N 1.28 0.52 -0.69 0.00 0.00 -1.25 0.91 119.26 120.03 1k9s h ALA 190 Ca 0.27 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1k9s h ALA 190 Cb -0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1k9s h ALA 190 CO -0.08 0.49 0.14 1.49 0.00 0.00 0.00 179.25 181.29 1k9s h GLU 191 N 0.59 1.12 -0.25 0.00 4.81 -0.72 -3.24 114.58 116.88 1k9s h GLU 191 Ca 0.08 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1k9s h GLU 191 Cb 0.77 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1k9s h GLU 191 CO 0.06 1.00 0.00 1.19 -0.73 0.00 0.00 179.01 180.53 1k9s n PHE 192 N -4.22 0.32 -2.55 0.92 3.72 -0.16 -5.01 117.46 110.48 1k9s n PHE 192 Ca 0.05 -0.22 -0.01 0.00 -0.05 0.00 0.00 57.45 57.22 1k9s n PHE 192 Cb 0.28 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 1k9s n PHE 192 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1k9s n GLY 193 N 1.05 0.87 2.76 1.37 0.00 -0.31 -5.00 105.19 105.93 1k9s n GLY 193 Ca 0.14 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 1k9s n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9s n ALA 194 N -2.62 0.34 -2.36 4.61 0.00 0.16 -5.03 120.51 115.61 1k9s n ALA 194 Ca 0.00 -1.73 -0.31 0.00 0.00 0.00 0.00 53.44 51.40 1k9s n ALA 194 Cb 0.50 0.96 -0.16 0.00 0.00 0.00 0.00 19.45 20.76 1k9s n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1k9s s LYS 195 N -3.38 2.20 0.05 0.00 1.02 -0.63 -4.52 119.74 114.47 1k9s s LYS 195 Ca 0.02 -0.90 -0.02 0.00 0.02 0.00 0.00 55.97 55.09 1k9s s LYS 195 Cb 0.00 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 1k9s s LYS 195 CO 0.01 0.56 0.01 0.00 -0.92 0.00 0.00 175.35 175.01 1k9s s ALA 196 N -0.59 0.31 -0.13 5.17 0.00 -1.26 -1.19 121.76 124.07 1k9s s ALA 196 Ca 0.09 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 1k9s s ALA 196 Cb -0.10 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.33 1k9s s ALA 196 CO -0.00 -0.36 0.34 -1.17 0.00 0.00 0.00 175.76 174.57 1k9s s LEU 197 N -2.65 0.68 -0.14 0.00 2.96 -0.45 -1.47 118.68 117.61 1k9s s LEU 197 Ca 0.03 0.68 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 1k9s s LEU 197 Cb 0.04 1.19 0.00 0.00 0.50 0.00 0.00 46.19 47.93 1k9s s LEU 197 CO -0.08 -0.13 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.73 1k9s s THR 198 N 0.14 2.32 -0.07 3.68 2.01 -1.26 -0.21 115.64 122.26 1k9s s THR 198 Ca -0.00 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.15 1k9s s THR 198 Cb -0.02 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 1k9s s THR 198 CO 0.01 0.54 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.60 1k9s s ILE 199 N 0.74 1.99 0.13 1.82 1.01 -0.25 -1.08 121.20 125.56 1k9s s ILE 199 Ca -0.08 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.61 1k9s s ILE 199 Cb -0.16 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1k9s s ILE 199 CO 0.00 0.55 -0.11 0.00 0.00 0.00 0.00 174.94 175.38 1k9s s THR 201 N -2.70 3.18 -0.17 0.00 2.01 -0.10 -0.92 115.64 116.93 1k9s s THR 201 Ca 0.11 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.19 1k9s s THR 201 Cb -0.01 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 1k9s s THR 201 CO 0.01 0.54 1.71 -0.69 -0.69 0.00 0.00 174.62 175.51 1k9s s VAL 202 N -0.01 3.55 -0.89 3.82 1.01 -0.27 -2.08 120.40 125.53 1k9s s VAL 202 Ca -0.03 0.63 0.19 0.00 0.00 0.00 0.00 61.98 62.77 1k9s s VAL 202 Cb -0.14 -3.54 -0.22 0.00 0.00 0.00 0.00 36.38 32.48 1k9s s VAL 202 CO 0.04 -0.20 0.82 -1.54 0.00 0.00 0.00 175.10 174.21 1k9s n SER 203 N 8.47 0.90 -3.48 3.32 3.41 -0.02 0.22 113.62 126.44 1k9s n SER 203 Ca 0.20 -0.93 -0.11 0.00 -0.26 0.00 0.00 58.87 57.77 1k9s n SER 203 Cb 0.44 1.04 -0.03 0.00 -0.26 0.00 0.00 64.21 65.40 1k9s n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1k9s s ASP 204 N -2.91 -0.46 -0.20 4.04 1.47 -1.23 -1.31 116.67 116.06 1k9s s ASP 204 Ca 0.07 0.11 0.01 0.00 1.18 0.00 0.00 52.55 53.92 1k9s s ASP 204 Cb 0.15 0.46 0.03 0.00 -0.34 0.00 0.00 42.92 43.22 1k9s s ASP 204 CO 0.81 -0.71 -0.18 -2.28 0.68 0.00 0.00 175.17 173.49 1k9s s HIS 205 N -2.96 2.90 0.46 2.11 2.46 -0.56 -1.04 115.29 118.65 1k9s s HIS 205 Ca 0.01 -1.81 0.25 0.00 0.47 0.00 0.00 55.06 53.98 1k9s s HIS 205 Cb -0.01 -1.93 1.43 0.00 -0.13 0.00 0.00 32.58 31.94 1k9s s HIS 205 CO -0.08 -0.82 2.09 0.82 -2.47 0.00 0.00 174.74 174.28 1k9s h ILE 206 N 6.14 0.68 0.00 0.89 2.04 -1.24 0.11 117.51 126.13 1k9s h ILE 206 Ca -0.39 -0.45 -0.14 0.00 1.00 0.00 0.00 64.86 64.88 1k9s h ILE 206 Cb 1.12 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1k9s h ILE 206 CO 0.59 0.11 -0.96 0.54 0.00 0.00 0.00 178.15 178.43 1k9s n ARG 207 N -3.83 0.52 0.20 2.37 3.00 -1.26 -4.36 116.66 113.30 1k9s n ARG 207 Ca -0.02 0.56 0.14 0.00 -0.01 0.00 0.00 57.85 58.51 1k9s n ARG 207 Cb 0.21 -1.72 0.48 0.00 0.00 0.00 0.00 32.46 31.42 1k9s n ARG 207 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 1k9s h THR 208 N -1.00 0.00 0.00 0.55 1.35 -1.93 -3.47 112.91 108.42 1k9s h THR 208 Ca -0.21 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1k9s h THR 208 Cb 0.97 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1k9s h THR 208 CO -0.13 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.55 1k9s n HIS 209 N -2.73 0.00 -2.17 4.73 8.25 0.38 -5.00 115.22 118.68 1k9s n HIS 209 Ca 0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.12 1k9s n HIS 209 Cb 0.36 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 30.71 1k9s n HIS 209 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1k9s s GLU 210 N -0.73 3.59 0.09 -0.41 2.02 -1.24 -4.82 118.70 117.20 1k9s s GLU 210 Ca 0.00 1.83 -0.19 0.00 0.02 0.00 0.00 54.97 56.64 1k9s s GLU 210 Cb 0.00 -2.33 0.04 0.00 0.10 0.00 0.00 34.13 31.95 1k9s s GLU 210 CO 0.00 -0.70 0.45 1.14 0.02 0.00 0.00 175.26 176.17 1k9s s GLN 211 N -2.81 1.05 0.29 1.61 -2.07 -1.26 -1.50 119.66 114.96 1k9s s GLN 211 Ca 0.66 -0.49 0.02 0.00 -1.82 0.00 0.00 55.36 53.72 1k9s s GLN 211 Cb -0.30 0.47 -0.03 0.00 -1.09 0.00 0.00 33.01 32.05 1k9s s GLN 211 CO 0.36 -0.40 0.46 0.95 -1.32 0.00 0.00 175.29 175.34 1k9s s THR 212 N -3.18 5.17 0.72 3.63 -4.23 -0.43 -5.00 115.64 112.33 1k9s s THR 212 Ca -0.01 -0.61 -0.09 0.00 -1.18 0.00 0.00 61.69 59.80 1k9s s THR 212 Cb 0.00 -3.84 0.05 0.00 1.34 0.00 0.00 72.50 70.06 1k9s s THR 212 CO -0.08 -0.41 1.07 0.42 -0.54 0.00 0.00 174.62 175.08 1k9s s THR 213 N -2.13 2.60 0.25 3.99 -4.23 -1.26 -4.91 115.64 109.95 1k9s s THR 213 Ca 0.38 -0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.83 1k9s s THR 213 Cb -0.10 -3.15 0.26 0.00 1.34 0.00 0.00 72.50 70.85 1k9s s THR 213 CO 0.32 -0.18 1.92 0.00 -0.54 0.00 0.00 174.62 176.15 1k9s h ALA 214 N -0.70 1.29 -0.62 3.99 0.00 -2.00 -2.07 119.26 119.15 1k9s h ALA 214 Ca -0.45 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1k9s h ALA 214 Cb 1.30 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1k9s h ALA 214 CO 0.63 0.64 0.17 0.00 0.00 0.00 0.00 179.25 180.69 1k9s h ALA 215 N 1.38 0.81 -0.89 0.00 0.00 -2.00 -2.16 119.26 116.41 1k9s h ALA 215 Ca 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1k9s h ALA 215 Cb -0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 1k9s h ALA 215 CO -0.09 0.50 0.46 0.93 0.00 0.00 0.00 179.25 181.05 1k9s h GLU 216 N 0.89 1.25 -0.32 0.00 5.08 -1.77 -2.71 114.58 116.99 1k9s h GLU 216 Ca 0.20 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1k9s h GLU 216 Cb 0.32 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1k9s h GLU 216 CO -0.00 0.93 -0.17 0.00 -1.00 0.00 0.00 179.01 178.77 1k9s h ARG 217 N 1.25 0.59 -0.01 2.33 3.08 -1.13 -0.86 114.38 119.63 1k9s h ARG 217 Ca 0.31 -0.20 -0.13 0.00 0.07 0.00 0.00 59.98 60.03 1k9s h ARG 217 Cb 0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1k9s h ARG 217 CO -0.05 0.73 -0.62 0.37 -1.07 0.00 0.00 179.97 179.33 1k9s h GLN 218 N 0.53 0.03 0.00 0.04 4.15 -1.15 -3.41 115.11 115.30 1k9s h GLN 218 Ca 0.09 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1k9s h GLN 218 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1k9s h GLN 218 CO 0.04 0.64 0.00 0.25 -1.93 0.00 0.00 178.83 177.83 1k9s n THR 219 N -3.81 0.00 -0.00 2.39 -2.24 -1.05 -4.19 114.28 105.38 1k9s n THR 219 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1k9s n THR 219 Cb 0.62 1.63 0.00 0.00 -2.10 0.00 0.00 70.33 70.47 1k9s n THR 219 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k9s n THR 220 N 0.00 0.00 -2.23 4.28 -2.24 -0.34 -4.78 114.28 108.98 1k9s n THR 220 Ca 0.00 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 1k9s n THR 220 Cb 0.33 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 1k9s n THR 220 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1k9s n PHE 221 N -0.08 3.16 0.06 4.78 3.72 -1.25 -4.68 117.46 123.18 1k9s n PHE 221 Ca 0.00 -2.85 0.06 0.00 -0.05 0.00 0.00 57.45 54.61 1k9s n PHE 221 Cb 0.00 -2.10 -0.05 0.00 -0.94 0.00 0.00 39.48 36.40 1k9s n PHE 221 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1k9s n ASN 222 N 4.47 0.81 -0.11 4.37 5.03 -1.26 -4.10 115.26 124.46 1k9s n ASN 222 Ca 0.42 0.33 -0.07 0.00 0.87 0.00 0.00 54.58 56.14 1k9s n ASN 222 Cb 0.37 0.39 0.01 0.00 -1.02 0.00 0.00 39.78 39.53 1k9s n ASN 222 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 1k9s h ASP 223 N 0.00 0.22 0.16 6.41 3.32 -1.98 -1.13 116.42 123.41 1k9s h ASP 223 Ca -0.08 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1k9s h ASP 223 Cb 1.28 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 1k9s h ASP 223 CO 0.02 0.17 -0.14 0.00 -1.72 0.00 0.00 179.24 177.57 1k9s h MET 224 N 0.34 0.00 -0.24 3.56 -0.00 -1.96 -1.36 114.93 115.27 1k9s h MET 224 Ca 0.16 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.69 1k9s h MET 224 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.70 1k9s h MET 224 CO -0.13 0.14 -0.50 0.82 -0.00 0.00 0.00 176.91 177.23 1k9s h ILE 225 N 0.00 1.30 -0.65 -0.10 1.08 -1.44 -1.06 117.51 116.64 1k9s h ILE 225 Ca -0.00 -1.70 -0.07 0.00 -0.39 0.00 0.00 64.86 62.70 1k9s h ILE 225 Cb 0.25 1.76 -0.03 0.00 -3.07 0.00 0.00 36.82 35.74 1k9s h ILE 225 CO 0.02 0.54 0.14 0.11 -0.69 0.00 0.00 178.15 178.27 1k9s h LYS 226 N 0.50 1.05 -0.11 2.37 1.57 -0.63 -0.78 116.57 120.54 1k9s h LYS 226 Ca 0.01 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1k9s h LYS 226 Cb 1.11 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1k9s h LYS 226 CO 0.11 0.95 0.06 0.82 -0.57 0.00 0.00 179.45 180.82 1k9s h ILE 227 N 0.97 1.09 0.00 1.86 2.04 -1.22 -0.59 117.51 121.66 1k9s h ILE 227 Ca 0.20 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1k9s h ILE 227 Cb 0.39 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1k9s h ILE 227 CO 0.01 0.08 -0.10 0.00 0.00 0.00 0.00 178.15 178.14 1k9s h ALA 228 N 0.96 -0.12 -0.31 1.87 0.00 -0.91 0.79 119.26 121.55 1k9s h ALA 228 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1k9s h ALA 228 Cb 0.08 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1k9s h ALA 228 CO -0.01 -0.60 0.15 -0.07 0.00 0.00 0.00 179.25 178.73 1k9s h LEU 229 N -0.18 0.40 -1.41 0.00 3.38 -1.05 -2.35 115.31 114.09 1k9s h LEU 229 Ca 0.04 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1k9s h LEU 229 Cb 0.23 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1k9s h LEU 229 CO -0.10 0.41 -0.30 -0.33 0.09 0.00 0.00 178.44 178.21 1k9s h GLU 230 N 0.36 0.00 -0.25 1.13 4.39 -0.99 -2.36 114.58 116.86 1k9s h GLU 230 Ca 0.11 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 1k9s h GLU 230 Cb 0.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1k9s h GLU 230 CO -0.01 0.30 -0.14 0.66 -1.16 0.00 0.00 179.01 178.65 1k9s h SER 231 N 0.00 0.41 -0.38 1.42 4.64 -0.33 -2.17 113.55 117.14 1k9s h SER 231 Ca -0.00 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 1k9s h SER 231 Cb 0.53 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1k9s h SER 231 CO 0.04 0.59 0.15 0.58 -0.87 0.00 0.00 176.83 177.31 1k9s h VAL 232 N 0.40 1.20 -0.81 0.95 2.07 -0.98 -0.85 116.25 118.23 1k9s h VAL 232 Ca 0.07 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1k9s h VAL 232 Cb 0.49 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1k9s h VAL 232 CO 0.03 0.22 0.43 -0.07 0.02 0.00 0.00 177.57 178.20 1k9s h LEU 233 N 0.47 1.01 -0.91 2.57 3.38 -1.40 -0.76 115.31 119.68 1k9s h LEU 233 Ca 0.13 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1k9s h LEU 233 Cb 0.20 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1k9s h LEU 233 CO -0.01 0.82 0.13 -0.07 0.09 0.00 0.00 178.44 179.39 1k9s h LEU 234 N 1.13 0.88 -1.23 1.67 3.38 -1.08 -2.64 115.31 117.41 1k9s h LEU 234 Ca 0.28 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1k9s h LEU 234 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1k9s h LEU 234 CO -0.04 0.86 -0.34 1.23 0.09 0.00 0.00 178.44 180.24 1k9s h GLY 235 N 1.02 0.08 1.78 0.83 0.00 0.10 -2.96 103.07 103.91 1k9s h GLY 235 Ca 0.19 -0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.32 1k9s h GLY 235 CO 0.00 0.06 -0.54 -0.55 0.00 0.00 0.00 176.54 175.52 1k9s h ASP 236 N 0.07 0.26 -0.03 0.19 3.32 -0.83 -3.51 116.42 115.88 1k9s h ASP 236 Ca 0.01 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1k9s h ASP 236 Cb 0.64 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1k9s h ASP 236 CO 0.05 0.75 0.00 2.29 -1.72 0.00 0.00 179.24 180.60