#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 1.67 0.56 0.00 -4.23 -0.46 -4.97 115.64 108.21 1k9s s THR 2 Ca 0.00 -1.83 0.40 0.00 -1.18 0.00 0.00 61.69 59.08 1k9s s THR 2 Cb 0.00 -2.50 0.42 0.00 1.34 0.00 0.00 72.50 71.76 1k9s s THR 2 CO 0.00 0.00 2.29 -0.65 -0.54 0.00 0.00 174.62 175.72 1k9s h PRO 3 N 1.33 0.00 0.00 3.99 0.11 -2.01 -3.05 132.00 132.37 1k9s h PRO 3 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1k9s h PRO 3 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1k9s h PRO 3 CO 0.71 0.01 0.00 0.72 -0.21 0.00 0.00 178.00 179.23 1k9s n HIS 4 N -3.20 0.00 -3.72 0.65 8.25 -1.26 -4.96 115.22 110.98 1k9s n HIS 4 Ca -0.02 -0.03 -0.26 0.00 -0.26 0.00 0.00 57.72 57.14 1k9s n HIS 4 Cb 0.12 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.06 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 -0.07 0.38 -1.21 1.59 1.01 -1.15 -4.71 121.20 117.03 1k9s s ILE 5 Ca 0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.17 1k9s s ILE 5 Cb 0.00 -0.85 0.19 0.00 0.01 0.00 0.00 42.46 41.80 1k9s s ILE 5 CO 0.00 -0.14 1.52 -3.20 0.00 0.00 0.00 174.94 173.12 1k9s n ASN 6 N 5.11 5.27 -3.75 3.58 4.05 -1.26 -1.35 115.26 126.91 1k9s n ASN 6 Ca -0.08 -3.04 -0.12 0.00 0.45 0.00 0.00 54.58 51.80 1k9s n ASN 6 Cb 0.48 -1.52 -0.06 0.00 1.23 0.00 0.00 39.78 39.92 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 0.81 0.35 0.24 5.20 0.00 -1.26 -4.66 121.76 122.45 1k9s s ALA 7 Ca 0.40 -1.25 0.11 0.00 0.00 0.00 0.00 51.96 51.23 1k9s s ALA 7 Cb -0.00 1.15 -0.05 0.00 0.00 0.00 0.00 23.12 24.22 1k9s s ALA 7 CO -0.00 -0.79 -0.20 -1.21 0.00 0.00 0.00 175.76 173.56 1k9s s GLU 8 N -3.68 1.57 0.12 0.00 0.41 -1.26 -1.67 118.70 114.19 1k9s s GLU 8 Ca 0.28 -1.66 -0.35 0.00 -0.41 0.00 0.00 54.97 52.83 1k9s s GLU 8 Cb 0.01 -1.67 -0.15 0.00 -1.78 0.00 0.00 34.13 30.54 1k9s s GLU 8 CO 0.14 0.32 1.49 -0.12 -0.49 0.00 0.00 175.26 176.60 1k9s n MET 9 N -0.32 1.73 0.00 1.61 0.00 -1.26 -0.84 117.12 118.04 1k9s n MET 9 Ca -0.08 0.63 0.00 0.00 -0.00 0.00 0.00 57.70 58.25 1k9s n MET 9 Cb 0.59 -2.34 0.00 0.00 0.00 0.00 0.00 33.22 31.46 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 3.08 3.00 0.20 -5.12 0.00 -1.26 -4.92 105.19 100.16 1k9s n GLY 10 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 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 0.08 0.00 -3.10 1.61 3.32 -1.36 -3.43 116.42 113.53 1k9s h ASP 11 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 1k9s h ASP 11 Cb 0.00 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.45 1k9s h ASP 11 CO 0.00 0.35 -0.57 -0.36 -1.72 0.00 0.00 179.24 176.93 1k9s s PHE 12 N -3.77 3.29 0.97 4.55 0.08 -1.26 -4.73 117.98 117.11 1k9s s PHE 12 Ca -0.01 0.21 -0.14 0.00 0.12 0.00 0.00 56.93 57.12 1k9s s PHE 12 Cb 0.12 -1.74 0.18 0.00 -0.57 0.00 0.00 43.02 41.00 1k9s s PHE 12 CO 0.68 0.55 1.15 0.00 -0.10 0.00 0.00 175.22 177.51 1k9s s ALA 13 N -1.19 1.56 -0.71 5.36 0.00 -1.26 -4.93 121.76 120.59 1k9s s ALA 13 Ca 0.23 -0.67 0.24 0.00 0.00 0.00 0.00 51.96 51.75 1k9s s ALA 13 Cb -0.12 -2.98 0.91 0.00 0.00 0.00 0.00 23.12 20.93 1k9s s ALA 13 CO 0.14 -2.58 1.72 -0.40 0.00 0.00 0.00 175.76 174.64 1k9s n ASP 14 N -3.97 0.52 -4.11 0.00 5.75 -1.26 -4.62 116.55 108.86 1k9s n ASP 14 Ca 0.09 0.59 -0.27 0.00 -0.01 0.00 0.00 54.79 55.18 1k9s n ASP 14 Cb 0.59 -0.71 -0.17 0.00 -1.03 0.00 0.00 41.12 39.80 1k9s n ASP 14 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1k9s s VAL 15 N -3.16 1.48 -0.09 2.12 0.11 -1.26 -0.78 120.40 118.82 1k9s s VAL 15 Ca 0.08 -0.69 0.02 0.00 -2.93 0.00 0.00 61.98 58.45 1k9s s VAL 15 Cb 0.12 -1.31 0.02 0.00 -1.53 0.00 0.00 36.38 33.67 1k9s s VAL 15 CO 0.45 0.43 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.84 1k9s s VAL 16 N 0.46 1.28 0.04 2.04 1.01 -0.62 -2.45 120.40 122.15 1k9s s VAL 16 Ca -0.14 -0.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.10 1k9s s VAL 16 Cb -0.16 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.98 1k9s s VAL 16 CO 0.05 0.40 0.65 -0.76 0.00 0.00 0.00 175.10 175.44 1k9s s LEU 17 N 1.00 4.46 -0.21 3.92 1.02 -0.11 -1.33 118.68 127.43 1k9s s LEU 17 Ca -0.07 1.30 -0.03 0.00 0.02 0.00 0.00 54.13 55.34 1k9s s LEU 17 Cb -0.15 -3.03 0.07 0.00 0.02 0.00 0.00 46.19 43.10 1k9s s LEU 17 CO -0.01 0.13 0.06 -0.04 0.02 0.00 0.00 176.35 176.51 1k9s s MET 18 N -0.43 0.49 0.54 1.70 -1.94 0.11 -1.48 119.30 118.29 1k9s s MET 18 Ca 0.33 -0.42 -0.03 0.00 -1.71 0.00 0.00 55.69 53.86 1k9s s MET 18 Cb -0.19 -1.96 0.01 0.00 2.01 0.00 0.00 34.83 34.70 1k9s s MET 18 CO 0.20 -0.71 0.80 -1.25 -0.01 0.00 0.00 175.02 174.05 1k9s s PRO 19 N 1.92 2.86 0.22 2.03 0.04 -1.24 -1.57 135.00 139.25 1k9s s PRO 19 Ca 0.01 -0.32 0.12 0.00 0.04 0.00 0.00 61.00 60.85 1k9s s PRO 19 Cb -0.17 -2.40 0.01 0.00 0.04 0.00 0.00 34.50 31.98 1k9s s PRO 19 CO -0.12 -0.58 1.41 0.78 0.04 0.00 0.00 177.00 178.52 1k9s h GLY 20 N 0.04 0.00 -6.76 0.56 0.00 -1.82 -1.08 103.07 94.01 1k9s h GLY 20 Ca -0.45 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.26 1k9s h GLY 20 CO 0.58 0.00 0.33 -0.35 0.00 0.00 0.00 176.54 177.10 1k9s s ASP 21 N -6.57 6.50 0.53 0.19 2.15 -1.26 -1.68 116.67 116.52 1k9s s ASP 21 Ca 0.02 0.22 0.18 0.00 0.43 0.00 0.00 52.55 53.41 1k9s s ASP 21 Cb 0.09 -2.38 1.34 0.00 -0.30 0.00 0.00 42.92 41.67 1k9s s ASP 21 CO 0.77 -0.75 2.15 1.55 -0.17 0.00 0.00 175.17 178.73 1k9s h PRO 22 N 8.58 0.00 0.00 4.34 0.13 -1.87 -0.17 132.00 143.00 1k9s h PRO 22 Ca -0.25 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.79 1k9s h PRO 22 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1k9s h PRO 22 CO 0.91 0.02 -0.44 -0.07 -0.23 0.00 0.00 178.00 178.18 1k9s h LEU 23 N 0.00 0.00 -0.34 1.56 3.38 -1.92 -0.96 115.31 117.03 1k9s h LEU 23 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1k9s h LEU 23 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1k9s h LEU 23 CO 0.00 0.44 -0.83 -0.09 0.09 0.00 0.00 178.44 178.05 1k9s h ARG 24 N 0.00 0.20 -0.65 1.13 2.43 -1.25 -1.56 114.38 114.69 1k9s h ARG 24 Ca -0.00 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 58.93 1k9s h ARG 24 Cb 0.86 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 1k9s h ARG 24 CO 0.06 0.92 0.28 0.00 -1.51 0.00 0.00 179.97 179.72 1k9s h ALA 25 N 1.01 0.84 -0.38 2.80 0.00 -0.69 0.02 119.26 122.86 1k9s h ALA 25 Ca -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1k9s h ALA 25 Cb 1.44 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1k9s h ALA 25 CO 0.13 0.45 0.21 -0.22 0.00 0.00 0.00 179.25 179.81 1k9s h LYS 26 N 0.91 0.53 -0.59 0.00 3.64 -1.04 -0.39 116.57 119.63 1k9s h LYS 26 Ca 0.22 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1k9s h LYS 26 Cb 0.18 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1k9s h LYS 26 CO -0.02 0.43 0.37 -0.92 -2.27 0.00 0.00 179.45 177.04 1k9s h TYR 27 N 0.49 0.76 -0.38 1.91 3.20 -0.93 -0.98 116.97 121.04 1k9s h TYR 27 Ca 0.13 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1k9s h TYR 27 Cb 0.05 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 1k9s h TYR 27 CO -0.03 0.50 0.21 0.82 -1.64 0.00 0.00 178.16 178.02 1k9s h ILE 28 N 0.79 1.14 -0.87 1.81 2.04 -0.66 -1.01 117.51 120.75 1k9s h ILE 28 Ca 0.21 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1k9s h ILE 28 Cb -0.06 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1k9s h ILE 28 CO -0.04 0.15 0.48 0.00 0.00 0.00 0.00 178.15 178.73 1k9s h ALA 29 N 1.07 1.21 0.00 1.87 0.00 -0.71 0.28 119.26 122.97 1k9s h ALA 29 Ca 0.13 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1k9s h ALA 29 Cb 0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1k9s h ALA 29 CO -0.02 0.64 -0.69 0.93 0.00 0.00 0.00 179.25 180.11 1k9s h GLU 30 N 1.21 0.00 0.00 0.00 5.08 -0.91 -3.21 114.58 116.76 1k9s h GLU 30 Ca 0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1k9s h GLU 30 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1k9s h GLU 30 CO -0.05 0.69 -1.54 -2.37 -1.00 0.00 0.00 179.01 174.74 1k9s n THR 31 N -3.62 0.05 -0.03 1.13 5.66 -0.41 -4.74 114.28 112.33 1k9s n THR 31 Ca -0.01 -0.28 0.02 0.00 -3.05 0.00 0.00 64.05 60.74 1k9s n THR 31 Cb 0.70 0.18 -0.10 0.00 -1.55 0.00 0.00 70.33 69.56 1k9s n THR 31 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1k9s n PHE 32 N -1.93 0.00 -4.04 1.09 3.72 0.07 -5.02 117.46 111.35 1k9s n PHE 32 Ca -0.03 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.11 1k9s n PHE 32 Cb 0.33 -0.41 -0.04 0.00 -0.94 0.00 0.00 39.48 38.42 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 -4.28 3.99 0.06 4.37 1.43 -1.21 -4.75 118.68 118.29 1k9s s LEU 33 Ca -0.05 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1k9s s LEU 33 Cb 0.06 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1k9s s LEU 33 CO 0.52 0.05 0.01 -1.61 0.23 0.00 0.00 176.35 175.55 1k9s s GLU 34 N -3.23 2.69 -1.42 1.70 2.02 0.41 -4.57 118.70 116.30 1k9s s GLU 34 Ca 0.32 -0.73 -0.11 0.00 0.02 0.00 0.00 54.97 54.47 1k9s s GLU 34 Cb -0.10 -2.62 0.09 0.00 0.10 0.00 0.00 34.13 31.59 1k9s s GLU 34 CO 0.25 0.57 0.64 -0.25 0.02 0.00 0.00 175.26 176.50 1k9s n ASP 35 N 0.84 -4.03 -4.77 -0.19 8.00 -1.26 -1.70 116.55 113.44 1k9s n ASP 35 Ca -0.12 -0.56 -0.41 0.00 0.71 0.00 0.00 54.79 54.42 1k9s n ASP 35 Cb 0.52 -3.30 -0.02 0.00 -0.02 0.00 0.00 41.12 38.30 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 -3.07 3.49 0.02 2.24 0.00 -1.26 -4.63 121.76 118.55 1k9s s ALA 36 Ca 0.50 1.22 0.05 0.00 0.00 0.00 0.00 51.96 53.74 1k9s s ALA 36 Cb -0.26 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 1k9s s ALA 36 CO 0.62 -0.59 -0.16 -0.98 0.00 0.00 0.00 175.76 174.65 1k9s s ARG 37 N -1.67 1.13 -0.04 0.00 1.70 -0.24 -4.94 118.95 114.88 1k9s s ARG 37 Ca 0.49 -0.70 -0.30 0.00 -0.47 0.00 0.00 55.73 54.75 1k9s s ARG 37 Cb -0.39 -1.14 -0.04 0.00 -0.57 0.00 0.00 34.95 32.81 1k9s s ARG 37 CO 0.51 0.30 1.26 -2.00 -1.08 0.00 0.00 175.30 174.28 1k9s s GLU 38 N -0.84 4.33 0.00 3.89 2.12 -1.26 -1.56 118.70 125.38 1k9s s GLU 38 Ca 0.04 1.75 0.09 0.00 0.36 0.00 0.00 54.97 57.21 1k9s s GLU 38 Cb -0.07 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.72 1k9s s GLU 38 CO 0.01 -0.49 0.52 1.33 -0.54 0.00 0.00 175.26 176.09 1k9s n VAL 39 N 4.64 0.00 -3.66 3.70 0.24 0.81 -4.96 118.33 119.10 1k9s n VAL 39 Ca 0.12 -0.38 -0.14 0.00 -2.04 0.00 0.00 64.34 61.90 1k9s n VAL 39 Cb 0.45 1.07 -0.08 0.00 -1.47 0.00 0.00 33.84 33.82 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 -1.42 -0.57 0.00 -1.34 3.84 -1.15 -4.38 114.94 109.92 1k9s s ASN 40 Ca 0.06 1.00 0.00 0.00 0.21 0.00 0.00 52.86 54.13 1k9s s ASN 40 Cb 0.07 1.01 0.00 0.00 -0.55 0.00 0.00 41.25 41.78 1k9s s ASN 40 CO 0.26 -0.29 0.25 -0.46 -2.79 0.00 0.00 177.10 174.07 1k9s n ASN 41 N 2.35 0.00 -4.66 -4.21 2.04 -1.26 -1.85 115.26 107.66 1k9s n ASN 41 Ca -0.15 -1.00 -0.46 0.00 -0.44 0.00 0.00 54.58 52.53 1k9s n ASN 41 Cb 0.56 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.78 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 0.51 -1.51 3.53 0.31 -1.26 -0.58 118.33 119.34 1k9s n VAL 42 Ca 0.00 -0.13 -0.18 0.00 -0.01 0.00 0.00 64.34 64.03 1k9s n VAL 42 Cb 0.39 -1.44 -0.08 0.00 -0.91 0.00 0.00 33.84 31.81 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 2.60 -1.49 -1.08 5.55 1.74 -1.26 -1.21 116.66 121.50 1k9s n ARG 43 Ca 0.14 1.09 -0.03 0.00 -0.77 0.00 0.00 57.85 58.28 1k9s n ARG 43 Cb 0.29 -5.45 -0.01 0.00 -1.02 0.00 0.00 32.46 26.27 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 -0.23 0.52 3.21 -0.13 0.00 0.25 -4.92 105.19 103.88 1k9s n GLY 44 Ca -0.18 -0.17 -0.43 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 -1.60 3.45 -1.64 1.61 0.00 -0.35 -4.81 117.12 113.77 1k9s n MET 45 Ca -0.03 -3.66 -0.48 0.00 0.00 0.00 0.00 57.70 53.54 1k9s n MET 45 Cb 0.26 -3.02 -0.04 0.00 0.00 0.00 0.00 33.22 30.41 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 5.07 2.56 -4.11 -0.89 4.77 -1.26 -4.43 117.00 118.70 1k9s n LEU 46 Ca 0.39 1.11 -0.20 0.00 -0.03 0.00 0.00 56.01 57.28 1k9s n LEU 46 Cb 0.40 -1.34 -0.14 0.00 -2.33 0.00 0.00 43.42 40.01 1k9s n LEU 46 CO 0.72 -0.61 -0.46 -0.83 -1.33 0.00 0.00 177.39 174.88 1k9s s GLY 47 N 0.63 0.69 0.06 -0.72 0.00 -0.77 -2.27 107.32 104.94 1k9s s GLY 47 Ca 0.78 -0.69 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 1k9s s GLY 47 CO 0.43 -0.64 -0.04 -1.36 0.00 0.00 0.00 173.10 171.49 1k9s s PHE 48 N -0.63 0.58 -0.02 1.90 0.40 0.11 -0.14 117.98 120.19 1k9s s PHE 48 Ca 0.02 -1.04 0.01 0.00 -0.60 0.00 0.00 56.93 55.32 1k9s s PHE 48 Cb -0.07 -0.41 0.02 0.00 0.51 0.00 0.00 43.02 43.07 1k9s s PHE 48 CO 0.00 -0.34 -0.01 0.99 0.70 0.00 0.00 175.22 176.57 1k9s s THR 49 N -3.85 0.20 0.00 0.64 2.01 -0.60 -0.52 115.64 113.52 1k9s s THR 49 Ca 0.08 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1k9s s THR 49 Cb 0.07 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 72.32 1k9s s THR 49 CO -0.09 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 1k9s n GLY 50 N 3.85 3.33 3.27 4.40 0.00 -0.41 -1.08 105.19 118.55 1k9s n GLY 50 Ca -0.24 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.39 1.51 -0.17 2.61 -4.23 -0.69 -0.96 115.64 111.32 1k9s s THR 51 Ca 0.00 -1.67 -0.01 0.00 -1.18 0.00 0.00 61.69 58.83 1k9s s THR 51 Cb 0.00 -1.55 0.05 0.00 1.34 0.00 0.00 72.50 72.33 1k9s s THR 51 CO 0.00 -0.28 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.29 1k9s s TYR 52 N -1.77 1.69 -1.51 3.99 5.04 0.23 -0.44 117.35 124.59 1k9s s TYR 52 Ca 0.08 -1.12 -0.07 0.00 -2.44 0.00 0.00 57.07 53.52 1k9s s TYR 52 Cb -0.07 -1.31 0.06 0.00 0.35 0.00 0.00 41.96 40.99 1k9s s TYR 52 CO 0.04 -0.63 0.58 1.63 -1.34 0.00 0.00 175.55 175.84 1k9s n LYS 53 N 4.87 -3.46 -0.06 4.97 5.02 -1.26 -0.58 118.16 127.67 1k9s n LYS 53 Ca -0.11 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1k9s n LYS 53 Cb 0.47 -4.79 0.00 0.00 -0.02 0.00 0.00 35.03 30.69 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 -1.78 2.68 3.69 0.72 0.00 -1.26 -5.01 105.19 104.22 1k9s n GLY 54 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.07 4.25 0.16 1.61 3.00 0.26 -5.02 118.95 123.14 1k9s s ARG 55 Ca 0.00 0.42 -0.31 0.00 -1.00 0.00 0.00 55.73 54.84 1k9s s ARG 55 Cb 0.00 -3.51 -0.09 0.00 0.00 0.00 0.00 34.95 31.35 1k9s s ARG 55 CO 0.00 -0.02 1.39 0.21 0.00 0.00 0.00 175.30 176.88 1k9s s LYS 56 N 1.22 4.32 -0.08 5.12 2.20 -1.26 -0.60 119.74 130.66 1k9s s LYS 56 Ca 0.25 2.13 -0.12 0.00 -0.36 0.00 0.00 55.97 57.86 1k9s s LYS 56 Cb -0.15 -3.20 0.03 0.00 -1.51 0.00 0.00 37.83 32.99 1k9s s LYS 56 CO 0.10 -0.40 0.31 0.42 -0.36 0.00 0.00 175.35 175.41 1k9s s ILE 57 N 0.68 0.02 0.22 5.43 1.01 -0.13 -4.77 121.20 123.66 1k9s s ILE 57 Ca 0.62 -0.17 0.10 0.00 0.00 0.00 0.00 60.65 61.19 1k9s s ILE 57 Cb -0.38 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 1k9s s ILE 57 CO 0.34 -0.10 -0.08 -0.44 0.00 0.00 0.00 174.94 174.66 1k9s s SER 58 N -0.35 4.24 -0.06 3.58 0.01 -1.03 -1.28 113.70 118.81 1k9s s SER 58 Ca -0.05 -0.66 -0.02 0.00 1.31 0.00 0.00 55.95 56.53 1k9s s SER 58 Cb -0.03 -0.70 0.04 0.00 0.21 0.00 0.00 66.02 65.54 1k9s s SER 58 CO 0.02 0.06 0.13 0.54 0.41 0.00 0.00 173.24 174.40 1k9s s VAL 59 N -1.99 -0.08 -0.12 3.43 0.11 0.32 -0.94 120.40 121.13 1k9s s VAL 59 Ca 0.27 0.21 -0.13 0.00 -2.93 0.00 0.00 61.98 59.40 1k9s s VAL 59 Cb -0.08 -0.22 0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1k9s s VAL 59 CO 0.16 0.09 0.37 -0.32 -3.33 0.00 0.00 175.10 172.07 1k9s s MET 60 N 1.32 0.47 0.71 1.54 0.00 -0.55 0.06 119.30 122.85 1k9s s MET 60 Ca -0.07 0.43 -0.13 0.00 0.00 0.00 0.00 55.69 55.92 1k9s s MET 60 Cb -0.12 0.23 0.02 0.00 0.00 0.00 0.00 34.83 34.96 1k9s s MET 60 CO -0.05 -0.07 1.10 0.20 0.00 0.00 0.00 175.02 176.19 1k9s s GLY 61 N -0.00 1.94 0.00 2.11 0.00 -0.96 -3.67 107.32 106.73 1k9s s GLY 61 Ca -0.02 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1k9s s GLY 61 CO 0.01 0.76 0.41 -2.39 0.00 0.00 0.00 173.10 171.89 1k9s n HIS 62 N -2.89 0.00 -0.13 1.90 1.44 -0.41 -4.91 115.22 110.23 1k9s n HIS 62 Ca 0.10 -0.01 0.02 0.00 -2.01 0.00 0.00 57.72 55.82 1k9s n HIS 62 Cb 0.52 -0.00 -0.00 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 -0.01 -1.47 3.80 -1.39 0.00 -0.68 -2.73 105.19 102.72 1k9s n GLY 63 Ca 0.00 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.32 3.85 0.00 1.61 1.00 -1.26 -4.62 119.30 118.56 1k9s s MET 64 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 55.69 55.51 1k9s s MET 64 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 34.83 31.52 1k9s s MET 64 CO 0.00 0.52 0.00 0.41 0.00 0.00 0.00 175.02 175.95 1k9s n GLY 65 N 2.81 2.10 0.19 -0.03 0.00 -1.25 -4.43 105.19 104.59 1k9s n GLY 65 Ca -0.18 -1.77 -0.04 0.00 0.00 0.00 0.00 46.02 44.03 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 0.90 -0.69 -0.61 2.04 -1.74 -2.08 117.51 115.32 1k9s h ILE 66 Ca 0.00 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.76 1k9s h ILE 66 Cb 0.00 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 1k9s h ILE 66 CO 0.00 0.07 0.43 -0.65 0.00 0.00 0.00 178.15 178.00 1k9s h PRO 67 N 0.39 0.80 0.37 2.37 0.11 -1.91 0.13 132.00 134.26 1k9s h PRO 67 Ca 0.21 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1k9s h PRO 67 Cb 0.18 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1k9s h PRO 67 CO -0.19 0.53 -0.18 1.03 -0.21 0.00 0.00 178.00 178.98 1k9s h SER 68 N 0.82 -0.42 0.46 -2.05 0.87 -1.71 -3.05 113.55 108.47 1k9s h SER 68 Ca 0.29 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1k9s h SER 68 Cb 0.06 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1k9s h SER 68 CO -0.12 -0.14 -0.20 0.00 -0.53 0.00 0.00 176.83 175.84 1k9s h SER 70 N 0.00 0.46 0.17 0.00 0.02 -0.67 -1.54 113.55 112.00 1k9s h SER 70 Ca -0.00 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1k9s h SER 70 Cb 0.48 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1k9s h SER 70 CO 0.03 0.67 -0.08 0.40 -1.14 0.00 0.00 176.83 176.70 1k9s h ILE 71 N 0.42 0.94 -0.45 3.27 2.04 -1.37 -2.56 117.51 119.79 1k9s h ILE 71 Ca 0.07 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1k9s h ILE 71 Cb 0.58 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1k9s h ILE 71 CO 0.04 0.13 0.12 1.88 0.00 0.00 0.00 178.15 180.32 1k9s h TYR 72 N -0.52 0.75 -0.38 1.37 0.05 -1.48 -2.12 116.97 114.64 1k9s h TYR 72 Ca -0.02 -0.09 -0.10 0.00 0.05 0.00 0.00 58.73 58.57 1k9s h TYR 72 Cb 0.40 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 1k9s h TYR 72 CO 0.02 0.69 -0.19 1.79 -1.05 0.00 0.00 178.16 179.42 1k9s h THR 73 N 0.60 1.26 0.12 -2.88 1.35 -1.37 -1.01 112.91 110.98 1k9s h THR 73 Ca 0.14 -1.26 -0.01 0.00 -0.55 0.00 0.00 66.41 64.74 1k9s h THR 73 Cb 0.31 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1k9s h THR 73 CO -0.00 0.42 -0.06 0.50 -0.25 0.00 0.00 175.52 176.13 1k9s h LYS 74 N 0.64 -0.16 -0.97 4.72 3.11 -1.33 -1.70 116.57 120.88 1k9s h LYS 74 Ca 0.10 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.95 1k9s h LYS 74 Cb 0.67 0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.89 1k9s h LYS 74 CO 0.05 -0.00 0.62 0.93 -2.81 0.00 0.00 179.45 178.23 1k9s h GLU 75 N -0.28 1.30 -0.56 1.90 5.08 -1.25 -0.63 114.58 120.15 1k9s h GLU 75 Ca -0.02 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1k9s h GLU 75 Cb 0.22 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1k9s h GLU 75 CO 0.03 0.88 0.28 -0.07 -1.00 0.00 0.00 179.01 179.13 1k9s h LEU 76 N 1.33 0.72 0.04 1.33 3.38 -1.03 -0.24 115.31 120.85 1k9s h LEU 76 Ca 0.35 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1k9s h LEU 76 Cb -0.11 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.46 1k9s h LEU 76 CO -0.07 0.64 -0.02 0.40 0.09 0.00 0.00 178.44 179.47 1k9s h ILE 77 N 0.75 1.22 0.03 1.22 2.04 -0.82 -2.00 117.51 119.95 1k9s h ILE 77 Ca 0.19 -0.87 -0.22 0.00 1.00 0.00 0.00 64.86 64.96 1k9s h ILE 77 Cb 0.10 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1k9s h ILE 77 CO -0.03 0.22 -1.05 0.71 0.00 0.00 0.00 178.15 178.01 1k9s h THR 78 N -0.45 1.66 -0.00 -0.27 1.35 -1.13 -3.29 112.91 110.78 1k9s h THR 78 Ca -0.01 -3.30 0.00 0.00 -0.55 0.00 0.00 66.41 62.56 1k9s h THR 78 Cb 0.40 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 1k9s h THR 78 CO 0.01 0.95 -0.37 0.47 -0.25 0.00 0.00 175.52 176.32 1k9s n ASP 79 N -3.41 0.81 -0.03 5.36 9.92 -0.11 -4.63 116.55 124.47 1k9s n ASP 79 Ca -0.02 -0.91 0.01 0.00 -0.53 0.00 0.00 54.79 53.34 1k9s n ASP 79 Cb 0.95 0.78 0.01 0.00 -0.64 0.00 0.00 41.12 42.22 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 -0.82 0.00 -1.38 1.24 3.72 -0.80 -4.60 117.46 114.82 1k9s n PHE 80 Ca 0.03 -0.37 -0.13 0.00 -0.05 0.00 0.00 57.45 56.93 1k9s n PHE 80 Cb 0.19 -0.04 -0.06 0.00 -0.94 0.00 0.00 39.48 38.63 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 -0.41 1.33 3.74 1.37 0.00 -1.13 -4.65 105.19 105.45 1k9s n GLY 81 Ca 0.01 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.36 2.97 -0.15 1.61 1.01 -0.91 -4.79 120.40 117.79 1k9s s VAL 82 Ca 0.00 0.79 0.09 0.00 0.00 0.00 0.00 61.98 62.86 1k9s s VAL 82 Cb 0.00 -3.51 -0.16 0.00 0.00 0.00 0.00 36.38 32.72 1k9s s VAL 82 CO 0.00 0.11 -0.02 0.29 0.00 0.00 0.00 175.10 175.48 1k9s n LYS 83 N 2.70 1.28 -4.57 2.72 5.02 0.04 -4.50 118.16 120.84 1k9s n LYS 83 Ca 0.07 0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.17 1k9s n LYS 83 Cb 0.41 -1.36 -0.16 0.00 -0.02 0.00 0.00 35.03 33.91 1k9s n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1k9s s LYS 84 N -2.35 1.24 -0.09 1.97 1.02 -0.77 -1.62 119.74 119.14 1k9s s LYS 84 Ca -0.13 -0.44 0.03 0.00 0.02 0.00 0.00 55.97 55.45 1k9s s LYS 84 Cb 0.05 -1.14 0.01 0.00 -0.52 0.00 0.00 37.83 36.23 1k9s s LYS 84 CO 0.53 0.19 -0.16 0.42 -0.92 0.00 0.00 175.35 175.40 1k9s s ILE 85 N 0.04 1.49 -0.26 2.17 1.01 -0.25 -1.59 121.20 123.82 1k9s s ILE 85 Ca -0.02 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 59.99 1k9s s ILE 85 Cb -0.09 -1.34 0.06 0.00 0.01 0.00 0.00 42.46 41.11 1k9s s ILE 85 CO 0.01 0.44 -0.10 -0.63 0.00 0.00 0.00 174.94 174.66 1k9s s ILE 86 N 0.68 2.08 0.05 2.92 1.01 -0.44 -1.21 121.20 126.27 1k9s s ILE 86 Ca -0.13 -1.60 -0.28 0.00 0.00 0.00 0.00 60.65 58.64 1k9s s ILE 86 Cb -0.16 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 1k9s s ILE 86 CO 0.04 -0.05 0.88 -0.60 0.00 0.00 0.00 174.94 175.20 1k9s s ARG 87 N 1.14 4.57 -0.39 2.79 3.52 0.84 0.08 118.95 131.51 1k9s s ARG 87 Ca -0.08 1.26 0.03 0.00 -0.13 0.00 0.00 55.73 56.81 1k9s s ARG 87 Cb -0.20 -3.40 0.11 0.00 -1.56 0.00 0.00 34.95 29.90 1k9s s ARG 87 CO -0.05 0.16 0.12 0.14 -0.81 0.00 0.00 175.30 174.85 1k9s s VAL 88 N 0.30 2.12 0.00 7.11 -7.23 -0.61 -0.68 120.40 121.42 1k9s s VAL 88 Ca 0.44 -2.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 1k9s s VAL 88 Cb -0.21 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1k9s s VAL 88 CO 0.26 -0.68 0.00 0.61 -0.31 0.00 0.00 175.10 174.98 1k9s n GLY 89 N 4.01 6.33 3.48 2.32 0.00 0.08 -4.02 105.19 117.39 1k9s n GLY 89 Ca 0.04 -2.05 -0.23 0.00 0.00 0.00 0.00 46.02 43.77 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 0.23 3.19 0.12 1.61 1.04 -1.26 -0.93 113.70 117.71 1k9s s SER 90 Ca 0.00 -1.19 -0.24 0.00 0.48 0.00 0.00 55.95 55.00 1k9s s SER 90 Cb 0.00 -0.25 0.07 0.00 0.10 0.00 0.00 66.02 65.94 1k9s s SER 90 CO 0.00 -0.27 0.63 0.00 0.98 0.00 0.00 173.24 174.58 1k9s s GLY 92 N -2.56 2.30 0.09 0.00 0.00 -0.12 -0.13 107.32 106.90 1k9s s GLY 92 Ca 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 44.72 44.29 1k9s s GLY 92 CO -0.10 -0.26 0.04 0.00 0.00 0.00 0.00 173.10 172.78 1k9s s ALA 93 N -1.35 3.45 -0.01 3.20 0.00 -0.06 -0.25 121.76 126.74 1k9s s ALA 93 Ca 0.31 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1k9s s ALA 93 Cb -0.14 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 1k9s s ALA 93 CO 0.17 0.73 0.02 1.33 0.00 0.00 0.00 175.76 178.01 1k9s n VAL 94 N 0.49 0.00 -2.63 0.00 0.24 -1.26 -0.86 118.33 114.31 1k9s n VAL 94 Ca -0.09 -0.11 -0.41 0.00 -2.04 0.00 0.00 64.34 61.69 1k9s n VAL 94 Cb 0.52 0.59 -0.05 0.00 -1.47 0.00 0.00 33.84 33.43 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 -2.85 4.53 0.41 1.34 1.43 -1.26 -4.81 118.68 117.47 1k9s s LEU 95 Ca -0.00 1.98 0.10 0.00 -1.03 0.00 0.00 54.13 55.18 1k9s s LEU 95 Cb 0.00 -3.60 0.92 0.00 0.03 0.00 0.00 46.19 43.55 1k9s s LEU 95 CO 0.03 -0.09 2.00 1.55 0.23 0.00 0.00 176.35 180.07 1k9s h PRO 96 N 5.01 0.50 -0.01 1.29 0.13 -1.99 -2.49 132.00 134.44 1k9s h PRO 96 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1k9s h PRO 96 Cb 1.21 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1k9s h PRO 96 CO 0.71 0.33 -0.11 0.72 -0.23 0.00 0.00 178.00 179.42 1k9s n HIS 97 N -4.47 0.00 -3.28 1.56 8.25 -1.26 -4.79 115.22 111.22 1k9s n HIS 97 Ca 0.08 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.16 1k9s n HIS 97 Cb 0.24 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 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 -2.29 5.14 0.31 1.59 1.01 -0.94 -5.06 120.40 120.17 1k9s s VAL 98 Ca 0.32 1.03 0.09 0.00 0.00 0.00 0.00 61.98 63.42 1k9s s VAL 98 Cb 0.20 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1k9s s VAL 98 CO 0.43 0.34 0.03 -0.54 0.00 0.00 0.00 175.10 175.36 1k9s s LYS 99 N 0.51 2.21 0.28 2.72 1.02 -1.26 -4.84 119.74 120.37 1k9s s LYS 99 Ca 0.28 -1.59 -0.29 0.00 0.02 0.00 0.00 55.97 54.39 1k9s s LYS 99 Cb -0.16 -2.06 -0.14 0.00 -0.52 0.00 0.00 37.83 34.95 1k9s s LYS 99 CO 0.12 0.22 1.17 -0.11 -0.92 0.00 0.00 175.35 175.82 1k9s n LEU 100 N -0.97 2.41 0.00 3.17 7.94 -1.26 -1.24 117.00 127.05 1k9s n LEU 100 Ca -0.05 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 1k9s n LEU 100 Cb 0.61 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 43.21 1k9s n LEU 100 CO 0.42 -1.01 0.00 0.54 -1.11 0.00 0.00 177.39 176.23 1k9s n ARG 101 N 1.04 -0.20 -2.03 1.96 1.74 0.42 -4.95 116.66 114.64 1k9s n ARG 101 Ca 0.09 0.05 -0.34 0.00 -0.77 0.00 0.00 57.85 56.88 1k9s n ARG 101 Cb 0.32 -3.35 0.02 0.00 -1.02 0.00 0.00 32.46 28.43 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 -2.47 5.42 -0.17 0.55 1.01 -0.38 -4.65 116.67 115.99 1k9s s ASP 102 Ca 0.00 2.11 -0.07 0.00 0.71 0.00 0.00 52.55 55.30 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 -1.42 0.06 -0.69 0.21 0.00 0.00 175.17 173.33 1k9s s VAL 103 N -2.00 4.81 -0.01 -1.27 1.01 -1.26 -1.12 120.40 120.55 1k9s s VAL 103 Ca 0.71 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.71 1k9s s VAL 103 Cb -0.23 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1k9s s VAL 103 CO 0.33 0.48 -0.18 0.68 0.00 0.00 0.00 175.10 176.41 1k9s s VAL 104 N 0.18 1.46 -0.20 2.92 -7.23 0.15 -2.58 120.40 115.10 1k9s s VAL 104 Ca 0.05 -0.82 -0.04 0.00 -1.81 0.00 0.00 61.98 59.36 1k9s s VAL 104 Cb -0.12 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.58 1k9s s VAL 104 CO 0.00 0.39 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.51 1k9s s ILE 105 N -0.47 3.53 -0.83 -0.62 1.01 0.74 -0.98 121.20 123.58 1k9s s ILE 105 Ca 0.07 -0.46 -0.19 0.00 0.00 0.00 0.00 60.65 60.07 1k9s s ILE 105 Cb -0.07 -2.58 0.13 0.00 0.01 0.00 0.00 42.46 39.94 1k9s s ILE 105 CO -0.00 0.45 1.01 -0.83 0.00 0.00 0.00 174.94 175.56 1k9s s GLY 106 N 1.08 1.89 0.44 6.18 0.00 -0.39 -1.42 107.32 115.10 1k9s s GLY 106 Ca 0.01 -2.60 0.24 0.00 0.00 0.00 0.00 44.72 42.37 1k9s s GLY 106 CO 0.00 1.89 1.81 0.00 0.00 0.00 0.00 173.10 176.80 1k9s h MET 107 N 8.90 0.00 -4.34 2.90 3.00 -1.17 -3.40 114.93 120.81 1k9s h MET 107 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 59.70 59.57 1k9s h MET 107 Cb 1.04 0.00 -0.15 0.00 0.00 0.00 0.00 31.60 32.49 1k9s h MET 107 CO 1.08 0.23 -0.67 0.20 0.00 0.00 0.00 176.91 177.75 1k9s s GLY 108 N -4.29 0.69 -0.10 -3.00 0.00 -1.11 -1.33 107.32 98.19 1k9s s GLY 108 Ca 0.01 -1.32 -0.03 0.00 0.00 0.00 0.00 44.72 43.38 1k9s s GLY 108 CO 0.64 -1.35 0.14 0.00 0.00 0.00 0.00 173.10 172.53 1k9s s ALA 109 N -3.94 -0.02 0.78 3.20 0.00 -0.07 -1.45 121.76 120.25 1k9s s ALA 109 Ca 0.14 0.35 -0.12 0.00 0.00 0.00 0.00 51.96 52.33 1k9s s ALA 109 Cb 0.08 -0.85 0.06 0.00 0.00 0.00 0.00 23.12 22.40 1k9s s ALA 109 CO -0.05 -0.68 1.15 0.00 0.00 0.00 0.00 175.76 176.17 1k9s s THR 111 N -3.48 0.00 -0.78 0.00 -1.32 -1.26 -0.38 115.64 108.41 1k9s s THR 111 Ca 0.61 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 61.23 1k9s s THR 111 Cb -0.11 -1.00 0.47 0.00 -1.51 0.00 0.00 72.50 70.35 1k9s s THR 111 CO 0.50 0.00 1.39 -0.90 -2.21 0.00 0.00 174.62 173.40 1k9s n ASP 112 N 0.28 3.63 -4.87 8.08 5.68 -1.18 -4.98 116.55 123.20 1k9s n ASP 112 Ca -0.13 -2.39 -0.31 0.00 -0.50 0.00 0.00 54.79 51.46 1k9s n ASP 112 Cb 0.60 -0.40 -0.00 0.00 -1.14 0.00 0.00 41.12 40.17 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 -1.26 6.35 0.00 -1.12 0.15 -1.26 -4.85 113.70 111.71 1k9s s SER 113 Ca 0.35 1.38 0.24 0.00 0.70 0.00 0.00 55.95 58.63 1k9s s SER 113 Cb 0.23 -2.45 0.31 0.00 -1.71 0.00 0.00 66.02 62.41 1k9s s SER 113 CO 0.16 -0.74 1.32 1.17 1.20 0.00 0.00 173.24 176.35 1k9s n LYS 114 N -2.33 2.03 -0.18 5.44 4.81 -1.26 -4.61 118.16 122.06 1k9s n LYS 114 Ca 0.05 -1.61 0.01 0.00 -0.87 0.00 0.00 58.31 55.90 1k9s n LYS 114 Cb 0.54 -1.47 0.28 0.00 0.02 0.00 0.00 35.03 34.40 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 3.93 1.18 0.00 3.15 -1.51 -2.00 -1.73 116.25 119.27 1k9s h VAL 115 Ca 0.00 -0.33 -0.13 0.00 -1.23 0.00 0.00 66.70 65.01 1k9s h VAL 115 Cb 0.87 0.16 -0.02 0.00 -2.13 0.00 0.00 31.29 30.17 1k9s h VAL 115 CO 0.00 0.17 -0.62 0.78 -1.23 0.00 0.00 177.57 176.67 1k9s h ASN 116 N 0.94 0.00 0.14 4.19 -0.26 -1.95 -2.49 115.58 116.15 1k9s h ASN 116 Ca 0.25 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.88 1k9s h ASN 116 Cb -0.11 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 1k9s h ASN 116 CO -0.05 0.62 -0.39 0.03 -1.06 0.00 0.00 177.43 176.57 1k9s h ARG 117 N 0.00 0.34 -0.34 0.81 3.08 -1.66 0.14 114.38 116.75 1k9s h ARG 117 Ca -0.01 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 59.78 1k9s h ARG 117 Cb 1.35 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 1k9s h ARG 117 CO 0.08 0.69 -0.22 0.82 -1.07 0.00 0.00 179.97 180.27 1k9s h ILE 118 N 0.29 1.27 0.02 2.04 2.04 -1.16 0.23 117.51 122.24 1k9s h ILE 118 Ca 0.03 -1.29 -0.21 0.00 1.00 0.00 0.00 64.86 64.39 1k9s h ILE 118 Cb 0.82 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1k9s h ILE 118 CO 0.07 0.42 -0.94 0.03 0.00 0.00 0.00 178.15 177.73 1k9s h ARG 119 N 0.57 0.27 -0.80 2.37 3.08 -1.01 -3.38 114.38 115.48 1k9s h ARG 119 Ca 0.08 -0.31 -0.53 0.00 0.07 0.00 0.00 59.98 59.29 1k9s h ARG 119 Cb 0.69 0.09 -0.30 0.00 0.08 0.00 0.00 29.97 30.52 1k9s h ARG 119 CO 0.05 1.03 0.12 0.34 -1.07 0.00 0.00 179.97 180.45 1k9s n PHE 120 N -3.66 2.67 -3.86 3.04 7.35 0.45 -4.93 117.46 118.51 1k9s n PHE 120 Ca -0.05 -2.41 -0.30 0.00 -0.76 0.00 0.00 57.45 53.93 1k9s n PHE 120 Cb 0.84 -0.87 0.02 0.00 0.35 0.00 0.00 39.48 39.82 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 -0.91 -4.94 -1.57 -4.13 5.02 -1.15 -1.80 118.16 108.68 1k9s n LYS 121 Ca 0.51 0.56 -0.19 0.00 -2.02 0.00 0.00 58.31 57.18 1k9s n LYS 121 Cb 0.91 -5.42 -0.08 0.00 -0.02 0.00 0.00 35.03 30.43 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 -2.73 -5.27 -2.65 4.39 2.03 0.81 -5.00 116.55 108.13 1k9s n ASP 122 Ca 0.04 0.45 -0.05 0.00 0.52 0.00 0.00 54.79 55.75 1k9s n ASP 122 Cb 0.52 -4.43 0.01 0.00 -0.72 0.00 0.00 41.12 36.51 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 -2.50 -2.52 -3.20 -0.67 8.25 -0.74 -5.00 115.22 108.83 1k9s n HIS 123 Ca -0.19 -0.48 -0.43 0.00 -0.26 0.00 0.00 57.72 56.37 1k9s n HIS 123 Cb 0.62 -0.12 -0.08 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.78 6.29 -0.22 0.41 1.11 -1.26 -4.61 116.67 116.61 1k9s s ASP 124 Ca 0.12 -0.36 -0.14 0.00 0.18 0.00 0.00 52.55 52.36 1k9s s ASP 124 Cb -0.01 -2.28 -0.04 0.00 1.07 0.00 0.00 42.92 41.66 1k9s s ASP 124 CO 0.08 -0.65 0.31 0.12 1.18 0.00 0.00 175.17 176.21 1k9s s PHE 125 N 2.52 3.35 -0.62 4.23 5.36 -1.26 -5.02 117.98 126.54 1k9s s PHE 125 Ca 0.19 0.47 -0.27 0.00 -0.96 0.00 0.00 56.93 56.36 1k9s s PHE 125 Cb -0.15 -2.43 0.03 0.00 -0.34 0.00 0.00 43.02 40.13 1k9s s PHE 125 CO 0.16 0.02 1.17 0.00 -1.46 0.00 0.00 175.22 175.11 1k9s s ALA 126 N 1.21 2.96 -0.55 11.12 0.00 -1.26 -4.96 121.76 130.27 1k9s s ALA 126 Ca 0.15 -1.06 -0.28 0.00 0.00 0.00 0.00 51.96 50.77 1k9s s ALA 126 Cb -0.14 -4.04 0.02 0.00 0.00 0.00 0.00 23.12 18.95 1k9s s ALA 126 CO 0.07 -2.78 1.37 0.00 0.00 0.00 0.00 175.76 174.42 1k9s s ALA 127 N 4.97 2.86 0.23 0.00 0.00 -1.26 -4.97 121.76 123.58 1k9s s ALA 127 Ca 0.38 -0.66 0.10 0.00 0.00 0.00 0.00 51.96 51.79 1k9s s ALA 127 Cb -0.09 -4.08 -0.05 0.00 0.00 0.00 0.00 23.12 18.91 1k9s s ALA 127 CO 0.21 -2.84 -0.19 0.96 0.00 0.00 0.00 175.76 173.91 1k9s s ILE 128 N 5.80 2.14 0.78 0.00 -4.36 -1.26 -0.89 121.20 123.41 1k9s s ILE 128 Ca 0.51 -2.21 -0.09 0.00 -0.26 0.00 0.00 60.65 58.60 1k9s s ILE 128 Cb -0.10 -2.12 0.09 0.00 1.25 0.00 0.00 42.46 41.58 1k9s s ILE 128 CO 0.26 -0.39 1.11 0.00 0.24 0.00 0.00 174.94 176.15 1k9s s ALA 129 N -2.42 2.90 0.01 2.27 0.00 -0.44 -4.84 121.76 119.25 1k9s s ALA 129 Ca 0.24 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 1k9s s ALA 129 Cb -0.04 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 1k9s s ALA 129 CO 0.11 -1.60 1.05 0.34 0.00 0.00 0.00 175.76 175.65 1k9s s ASP 130 N -4.61 7.28 0.14 0.00 2.15 -0.66 -4.97 116.67 116.00 1k9s s ASP 130 Ca 0.63 1.75 -0.18 0.00 0.43 0.00 0.00 52.55 55.18 1k9s s ASP 130 Cb -0.09 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 39.97 1k9s s ASP 130 CO 0.47 -0.33 1.72 0.15 -0.17 0.00 0.00 175.17 177.01 1k9s h PHE 131 N 6.83 0.02 -0.64 -5.34 3.57 -1.96 -2.16 116.94 117.26 1k9s h PHE 131 Ca -0.41 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.12 1k9s h PHE 131 Cb 1.21 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 1k9s h PHE 131 CO 0.68 -0.02 0.43 -0.44 -2.23 0.00 0.00 178.31 176.72 1k9s h ASP 132 N 0.10 0.73 -0.07 0.41 3.32 -1.99 -0.72 116.42 118.21 1k9s h ASP 132 Ca 0.12 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 1k9s h ASP 132 Cb 0.15 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1k9s h ASP 132 CO -0.19 0.53 -0.31 0.24 -1.72 0.00 0.00 179.24 177.79 1k9s h MET 133 N 0.87 0.54 -0.26 3.56 2.86 -1.84 0.18 114.93 120.84 1k9s h MET 133 Ca 0.24 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1k9s h MET 133 Cb -0.10 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1k9s h MET 133 CO -0.05 0.79 -0.01 0.28 1.06 0.00 0.00 176.91 178.98 1k9s h VAL 134 N 0.47 1.26 -0.64 -2.22 2.07 -0.71 -1.91 116.25 114.57 1k9s h VAL 134 Ca 0.06 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1k9s h VAL 134 Cb 0.77 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1k9s h VAL 134 CO 0.06 0.30 0.27 -0.09 0.02 0.00 0.00 177.57 178.13 1k9s h ARG 135 N 0.24 0.95 -0.88 1.57 2.43 -0.95 -1.19 114.38 116.55 1k9s h ARG 135 Ca 0.07 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1k9s h ARG 135 Cb 0.44 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 1k9s h ARG 135 CO 0.02 0.79 0.54 -0.91 -1.51 0.00 0.00 179.97 178.89 1k9s h ASN 136 N 0.90 1.06 -0.43 -3.80 2.35 -0.87 -0.80 115.58 113.99 1k9s h ASN 136 Ca 0.22 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 1k9s h ASN 136 Cb 0.18 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1k9s h ASN 136 CO -0.02 0.81 -0.07 0.00 -1.65 0.00 0.00 177.43 176.50 1k9s h ALA 137 N 1.29 0.58 -0.59 -0.83 0.00 -0.96 -0.44 119.26 118.31 1k9s h ALA 137 Ca 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1k9s h ALA 137 Cb -0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1k9s h ALA 137 CO -0.06 0.43 0.31 0.28 0.00 0.00 0.00 179.25 180.22 1k9s h VAL 138 N 0.63 1.20 -0.45 0.00 2.07 -0.97 -0.67 116.25 118.05 1k9s h VAL 138 Ca 0.11 -0.51 -0.11 0.00 0.82 0.00 0.00 66.70 67.01 1k9s h VAL 138 Cb 0.58 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1k9s h VAL 138 CO 0.03 0.22 -0.15 0.44 0.02 0.00 0.00 177.57 178.13 1k9s h ASP 139 N 0.80 0.91 -0.65 0.57 3.32 -1.03 -1.90 116.42 118.44 1k9s h ASP 139 Ca 0.21 -0.38 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 1k9s h ASP 139 Cb 0.06 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1k9s h ASP 139 CO -0.03 1.08 0.18 0.00 -1.72 0.00 0.00 179.24 178.75 1k9s h ALA 140 N 0.86 1.04 -0.49 3.45 0.00 -0.87 -1.45 119.26 121.80 1k9s h ALA 140 Ca 0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1k9s h ALA 140 Cb 0.71 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1k9s h ALA 140 CO 0.05 0.63 0.21 0.00 0.00 0.00 0.00 179.25 180.15 1k9s h ALA 141 N 1.18 0.64 -0.50 0.00 0.00 -0.96 -1.32 119.26 118.29 1k9s h ALA 141 Ca 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1k9s h ALA 141 Cb 0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1k9s h ALA 141 CO -0.00 0.23 0.23 -0.22 0.00 0.00 0.00 179.25 179.49 1k9s h LYS 142 N 0.65 0.73 -0.35 0.00 3.64 -1.04 0.82 116.57 121.01 1k9s h LYS 142 Ca 0.17 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1k9s h LYS 142 Cb 0.17 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1k9s h LYS 142 CO -0.02 0.62 0.15 0.00 -2.27 0.00 0.00 179.45 177.93 1k9s h ALA 143 N 1.08 1.62 -0.00 5.00 0.00 -0.97 -1.10 119.26 124.88 1k9s h ALA 143 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1k9s h ALA 143 Cb 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1k9s h ALA 143 CO -0.02 0.31 -0.16 1.28 0.00 0.00 0.00 179.25 180.66 1k9s n LEU 144 N -4.41 0.45 -0.96 0.00 4.77 -0.53 -4.92 117.00 111.40 1k9s n LEU 144 Ca 0.02 0.05 -0.08 0.00 -0.03 0.00 0.00 56.01 55.97 1k9s n LEU 144 Cb 0.12 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1k9s n LEU 144 CO 0.36 0.09 -0.11 0.61 -1.33 0.00 0.00 177.39 177.01 1k9s n GLY 145 N 1.34 0.05 3.48 -0.72 0.00 -0.42 -5.02 105.19 103.90 1k9s n GLY 145 Ca 0.12 -0.53 -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 3.92 0.37 -0.61 1.01 0.15 -5.02 121.20 118.60 1k9s s ILE 146 Ca 0.00 -0.34 -0.26 0.00 0.00 0.00 0.00 60.65 60.05 1k9s s ILE 146 Cb 0.00 -2.73 -0.09 0.00 0.01 0.00 0.00 42.46 39.65 1k9s s ILE 146 CO 0.00 0.47 1.08 -1.81 0.00 0.00 0.00 174.94 174.69 1k9s s ASP 147 N 0.56 6.86 -0.20 3.58 1.01 -1.26 -4.29 116.67 122.93 1k9s s ASP 147 Ca -0.02 2.15 -0.09 0.00 0.71 0.00 0.00 52.55 55.30 1k9s s ASP 147 Cb -0.14 -2.60 0.08 0.00 1.01 0.00 0.00 42.92 41.26 1k9s s ASP 147 CO 0.02 -0.43 0.46 0.00 0.21 0.00 0.00 175.17 175.44 1k9s s ALA 148 N -1.48 -1.24 0.08 5.23 0.00 -1.26 -4.30 121.76 118.79 1k9s s ALA 148 Ca 0.54 1.67 -0.15 0.00 0.00 0.00 0.00 51.96 54.02 1k9s s ALA 148 Cb -0.26 -1.18 -0.06 0.00 0.00 0.00 0.00 23.12 21.61 1k9s s ALA 148 CO 0.33 -0.50 0.50 1.03 0.00 0.00 0.00 175.76 177.12 1k9s s ARG 149 N 1.98 3.99 -0.16 0.00 0.52 -1.06 -4.91 118.95 119.30 1k9s s ARG 149 Ca -0.06 0.49 -0.02 0.00 -0.52 0.00 0.00 55.73 55.62 1k9s s ARG 149 Cb -0.10 -3.09 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 1k9s s ARG 149 CO -0.14 0.59 -0.09 0.08 0.02 0.00 0.00 175.30 175.76 1k9s s VAL 150 N -1.27 3.32 0.00 3.52 1.01 -1.26 -0.18 120.40 125.54 1k9s s VAL 150 Ca 0.31 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1k9s s VAL 150 Cb -0.16 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1k9s s VAL 150 CO 0.17 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1k9s n GLY 151 N 3.84 0.98 3.82 4.51 0.00 -0.50 -4.94 105.19 112.89 1k9s n GLY 151 Ca -0.18 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 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 2.00 6.74 0.39 1.61 0.01 -1.26 -0.61 114.94 123.82 1k9s s ASN 152 Ca 0.00 0.88 0.08 0.00 -0.71 0.00 0.00 52.86 53.10 1k9s s ASN 152 Cb 0.00 -2.24 -0.02 0.00 0.41 0.00 0.00 41.25 39.40 1k9s s ASN 152 CO 0.00 0.27 0.38 -0.76 -1.51 0.00 0.00 177.10 175.48 1k9s s LEU 153 N -0.74 3.49 -0.15 0.60 1.43 -0.53 -0.78 118.68 122.00 1k9s s LEU 153 Ca 0.23 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1k9s s LEU 153 Cb -0.16 -2.17 0.03 0.00 0.03 0.00 0.00 46.19 43.91 1k9s s LEU 153 CO 0.12 -0.58 -0.12 0.12 0.23 0.00 0.00 176.35 176.11 1k9s s PHE 154 N -2.41 2.06 -0.48 0.29 2.19 0.01 -0.77 117.98 118.87 1k9s s PHE 154 Ca 0.47 -1.17 -0.18 0.00 0.33 0.00 0.00 56.93 56.38 1k9s s PHE 154 Cb -0.05 -1.53 0.06 0.00 -1.31 0.00 0.00 43.02 40.19 1k9s s PHE 154 CO 0.28 -0.65 0.53 -1.12 1.83 0.00 0.00 175.22 176.09 1k9s s SER 155 N 1.52 6.20 0.17 6.13 0.01 0.49 -0.56 113.70 127.67 1k9s s SER 155 Ca 0.04 -0.98 -0.07 0.00 1.31 0.00 0.00 55.95 56.25 1k9s s SER 155 Cb -0.13 -2.25 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 1k9s s SER 155 CO -0.10 -0.77 0.45 0.00 0.41 0.00 0.00 173.24 173.22 1k9s s ALA 156 N 2.28 3.70 -0.02 1.44 0.00 0.38 -3.13 121.76 126.41 1k9s s ALA 156 Ca 0.12 -0.44 0.10 0.00 0.00 0.00 0.00 51.96 51.74 1k9s s ALA 156 Cb -0.20 -2.26 -0.23 0.00 0.00 0.00 0.00 23.12 20.43 1k9s s ALA 156 CO 0.11 0.60 0.74 -0.44 0.00 0.00 0.00 175.76 176.77 1k9s h ASP 157 N 2.75 0.05 -3.67 0.00 3.32 -1.88 -3.40 116.42 113.58 1k9s h ASP 157 Ca -0.46 -0.09 -0.68 0.00 0.02 0.00 0.00 57.03 55.81 1k9s h ASP 157 Cb 1.17 -0.01 -0.31 0.00 0.22 0.00 0.00 39.33 40.40 1k9s h ASP 157 CO 0.71 1.08 -0.68 -0.76 -1.72 0.00 0.00 179.24 177.87 1k9s s LEU 158 N -6.28 3.85 0.20 1.55 1.43 -1.26 -4.95 118.68 113.21 1k9s s LEU 158 Ca -0.05 -1.08 -0.10 0.00 -1.03 0.00 0.00 54.13 51.88 1k9s s LEU 158 Cb 0.08 -1.76 0.13 0.00 0.03 0.00 0.00 46.19 44.67 1k9s s LEU 158 CO 0.82 -0.24 1.79 0.15 0.23 0.00 0.00 176.35 179.10 1k9s h PHE 159 N 8.09 1.06 -3.28 0.29 3.04 -1.97 -3.20 116.94 120.98 1k9s h PHE 159 Ca -0.25 -0.06 -0.80 0.00 3.98 0.00 0.00 57.97 60.84 1k9s h PHE 159 Cb 1.08 -0.33 -0.28 0.00 2.56 0.00 0.00 35.95 38.98 1k9s h PHE 159 CO 0.60 0.79 0.58 0.66 -2.02 0.00 0.00 178.31 178.92 1k9s n TYR 160 N -4.40 3.99 -2.47 0.41 4.01 -1.26 -5.04 117.16 112.40 1k9s n TYR 160 Ca 0.06 -3.36 -0.41 0.00 -0.16 0.00 0.00 57.90 54.03 1k9s n TYR 160 Cb 0.14 -1.50 -0.04 0.00 -0.31 0.00 0.00 39.34 37.63 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 -0.04 7.21 0.00 7.72 0.15 -1.21 -4.93 113.70 122.60 1k9s s SER 161 Ca 0.31 2.13 0.29 0.00 0.70 0.00 0.00 55.95 59.38 1k9s s SER 161 Cb -0.04 -2.60 1.30 0.00 -1.71 0.00 0.00 66.02 62.97 1k9s s SER 161 CO -0.00 -0.27 1.93 -0.81 1.20 0.00 0.00 173.24 175.29 1k9s n PRO 162 N 2.44 0.26 -3.30 5.44 -0.04 -1.26 -4.43 135.00 134.11 1k9s n PRO 162 Ca 0.03 -0.03 -0.45 0.00 -0.04 0.00 0.00 63.50 63.01 1k9s n PRO 162 Cb 0.46 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.76 7.26 0.45 3.54 2.15 -1.26 -4.85 116.67 121.21 1k9s s ASP 163 Ca 0.22 -3.47 0.13 0.00 0.43 0.00 0.00 52.55 49.86 1k9s s ASP 163 Cb 0.20 -2.23 1.03 0.00 -0.30 0.00 0.00 42.92 41.61 1k9s s ASP 163 CO 0.51 -0.36 2.04 1.23 -0.17 0.00 0.00 175.17 178.42 1k9s h GLY 164 N 7.07 0.12 2.00 2.66 0.00 -2.02 -2.42 103.07 110.48 1k9s h GLY 164 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1k9s h GLY 164 CO 1.02 0.06 -0.04 1.05 0.00 0.00 0.00 176.54 178.62 1k9s h GLU 165 N 0.11 0.00 0.00 4.80 -0.00 -1.97 -2.53 114.58 114.98 1k9s h GLU 165 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.37 1k9s h GLU 165 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.93 1k9s h GLU 165 CO 0.01 0.04 -0.08 1.98 -0.00 0.00 0.00 179.01 180.96 1k9s h MET 166 N 0.00 0.00 -0.37 1.06 4.05 -1.85 -1.84 114.93 115.97 1k9s h MET 166 Ca -0.00 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1k9s h MET 166 Cb 0.26 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 1k9s h MET 166 CO 0.01 0.08 0.10 0.74 0.23 0.00 0.00 176.91 178.07 1k9s h PHE 167 N 0.00 0.55 -0.35 1.39 0.04 -1.64 0.23 116.94 117.15 1k9s h PHE 167 Ca -0.00 -0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.61 1k9s h PHE 167 Cb 0.15 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1k9s h PHE 167 CO 0.00 0.47 -0.30 -0.44 -0.60 0.00 0.00 178.31 177.44 1k9s h ASP 168 N 0.53 0.79 -0.29 2.17 3.32 -1.51 -0.50 116.42 120.93 1k9s h ASP 168 Ca 0.13 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 1k9s h ASP 168 Cb 0.20 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1k9s h ASP 168 CO -0.00 1.03 0.06 0.58 -1.72 0.00 0.00 179.24 179.19 1k9s h VAL 169 N 0.65 1.22 -0.38 -1.35 2.07 -1.23 -0.49 116.25 116.74 1k9s h VAL 169 Ca 0.07 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.88 1k9s h VAL 169 Cb 0.83 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1k9s h VAL 169 CO 0.07 0.25 0.15 0.24 0.02 0.00 0.00 177.57 178.30 1k9s h MET 170 N 0.30 0.30 -0.32 1.57 2.86 -0.78 -1.64 114.93 117.21 1k9s h MET 170 Ca 0.09 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1k9s h MET 170 Cb 0.32 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1k9s h MET 170 CO 0.00 0.20 0.14 1.49 1.06 0.00 0.00 176.91 179.81 1k9s h GLU 171 N 0.31 0.29 -0.70 1.72 4.81 -0.84 -2.05 114.58 118.11 1k9s h GLU 171 Ca 0.17 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1k9s h GLU 171 Cb 0.14 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1k9s h GLU 171 CO -0.16 0.19 0.46 -0.22 -0.73 0.00 0.00 179.01 178.55 1k9s h LYS 172 N 0.30 0.75 -0.44 1.92 3.64 -0.66 -2.06 116.57 120.02 1k9s h LYS 172 Ca 0.14 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1k9s h LYS 172 Cb 0.08 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1k9s h LYS 172 CO -0.12 0.50 0.00 0.66 -2.27 0.00 0.00 179.45 178.22 1k9s n TYR 173 N -4.47 0.60 -1.19 1.91 4.02 -0.66 -4.94 117.16 112.43 1k9s n TYR 173 Ca 0.10 -0.29 -0.04 0.00 -0.01 0.00 0.00 57.90 57.66 1k9s n TYR 173 Cb 0.19 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.47 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 1.11 0.64 3.69 2.72 0.00 -0.78 -4.99 105.19 107.59 1k9s n GLY 174 Ca 0.14 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.15 2.64 0.12 -0.61 -1.09 -0.87 -4.61 121.20 114.64 1k9s s ILE 175 Ca 0.00 0.11 0.01 0.00 -2.23 0.00 0.00 60.65 58.53 1k9s s ILE 175 Cb 0.00 -3.07 -0.21 0.00 -1.58 0.00 0.00 42.46 37.60 1k9s s ILE 175 CO 0.00 -0.00 1.28 -0.07 -1.23 0.00 0.00 174.94 174.92 1k9s h LEU 176 N 8.77 0.28 -7.00 2.97 3.38 -1.31 -3.42 115.31 118.98 1k9s h LEU 176 Ca -0.46 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.20 1k9s h LEU 176 Cb 1.22 -0.09 -0.19 0.00 0.09 0.00 0.00 40.66 41.68 1k9s h LEU 176 CO 0.95 1.13 0.23 -0.83 0.09 0.00 0.00 178.44 180.01 1k9s s GLY 177 N -4.59 -0.55 -0.26 0.83 0.00 -1.26 -4.59 107.32 96.91 1k9s s GLY 177 Ca -0.03 1.39 -0.08 0.00 0.00 0.00 0.00 44.72 46.01 1k9s s GLY 177 CO 0.85 0.97 0.08 0.14 0.00 0.00 0.00 173.10 175.14 1k9s s VAL 178 N -1.17 4.31 0.00 1.40 1.01 0.66 -0.81 120.40 125.79 1k9s s VAL 178 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1k9s s VAL 178 Cb -0.00 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1k9s s VAL 178 CO 0.09 0.27 0.00 -1.84 0.00 0.00 0.00 175.10 173.62 1k9s n GLU 179 N 4.93 0.33 -0.38 2.72 -0.00 0.27 -0.94 120.64 127.57 1k9s n GLU 179 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 1k9s n GLU 179 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.95 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 -0.47 117.12 121.63 1k9s n MET 180 Ca 0.00 -0.86 0.00 0.00 -1.81 0.00 0.00 57.70 55.03 1k9s n MET 180 Cb 0.00 -0.49 0.00 0.00 -0.71 0.00 0.00 33.22 32.02 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 1.68 -0.21 0.03 4.71 -1.26 -2.11 120.64 123.48 1k9s n GLU 181 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 1k9s n GLU 181 Cb 0.65 -0.48 0.03 0.00 -1.01 0.00 0.00 31.44 30.63 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 0.15 -0.41 0.62 0.00 -1.94 -0.10 119.26 117.58 1k9s h ALA 182 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1k9s h ALA 182 Cb 0.00 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1k9s h ALA 182 CO 0.00 -0.57 0.27 0.00 0.00 0.00 0.00 179.25 178.95 1k9s h ALA 183 N 1.26 1.78 -0.26 0.00 0.00 -1.84 0.01 119.26 120.21 1k9s h ALA 183 Ca 0.27 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1k9s h ALA 183 Cb 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1k9s h ALA 183 CO -0.68 0.19 -0.48 0.78 0.00 0.00 0.00 179.25 179.05 1k9s h GLY 184 N 0.49 0.85 1.07 0.00 0.00 -1.42 -1.35 103.07 102.71 1k9s h GLY 184 Ca 0.16 -0.99 -0.13 0.00 0.00 0.00 0.00 47.33 46.37 1k9s h GLY 184 CO -0.04 0.89 -0.23 -2.22 0.00 0.00 0.00 176.54 174.94 1k9s h ILE 185 N 0.52 1.28 -0.32 2.60 2.04 -0.55 -1.89 117.51 121.19 1k9s h ILE 185 Ca 0.01 -1.39 -0.07 0.00 1.00 0.00 0.00 64.86 64.41 1k9s h ILE 185 Cb 1.09 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1k9s h ILE 185 CO 0.11 0.47 -0.10 1.88 0.00 0.00 0.00 178.15 180.50 1k9s h TYR 186 N 0.74 0.58 -0.39 1.37 0.05 -1.01 -0.32 116.97 117.99 1k9s h TYR 186 Ca 0.09 -0.09 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 1k9s h TYR 186 Cb 0.81 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.37 1k9s h TYR 186 CO 0.06 0.63 0.10 0.78 -1.05 0.00 0.00 178.16 178.68 1k9s h GLY 187 N 0.93 0.67 1.00 3.88 0.00 -1.06 -2.09 103.07 106.40 1k9s h GLY 187 Ca 0.09 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 1k9s h GLY 187 CO 0.03 0.39 0.11 -2.08 0.00 0.00 0.00 176.54 174.99 1k9s h VAL 188 N 0.49 1.25 -0.84 4.60 2.07 -1.05 -0.38 116.25 122.38 1k9s h VAL 188 Ca 0.12 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1k9s h VAL 188 Cb 0.30 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1k9s h VAL 188 CO 0.00 0.33 0.55 0.00 0.02 0.00 0.00 177.57 178.47 1k9s h ALA 189 N 1.00 1.10 -0.30 1.67 0.00 -0.96 0.42 119.26 122.20 1k9s h ALA 189 Ca 0.17 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 1k9s h ALA 189 Cb 0.37 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1k9s h ALA 189 CO 0.01 0.41 -0.47 0.00 0.00 0.00 0.00 179.25 179.20 1k9s h ALA 190 N 1.34 0.46 -0.51 0.00 0.00 -1.20 0.83 119.26 120.18 1k9s h ALA 190 Ca 0.33 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1k9s h ALA 190 Cb -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1k9s h ALA 190 CO -0.10 0.62 -0.06 1.49 0.00 0.00 0.00 179.25 181.20 1k9s h GLU 191 N 0.62 0.90 -0.43 0.00 4.81 -0.51 -3.26 114.58 116.72 1k9s h GLU 191 Ca 0.03 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1k9s h GLU 191 Cb 1.07 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1k9s h GLU 191 CO 0.11 0.93 0.00 1.19 -0.73 0.00 0.00 179.01 180.51 1k9s n PHE 192 N -4.17 0.56 -2.74 0.92 3.72 0.09 -5.02 117.46 110.83 1k9s n PHE 192 Ca 0.02 -0.41 -0.07 0.00 -0.05 0.00 0.00 57.45 56.94 1k9s n PHE 192 Cb 0.36 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.91 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 1.01 0.39 2.14 1.37 0.00 -0.45 -4.98 105.19 104.67 1k9s n GLY 193 Ca 0.16 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.94 0.29 -2.58 4.61 0.00 0.16 -5.04 120.51 115.02 1k9s n ALA 194 Ca -0.02 -1.34 -0.30 0.00 0.00 0.00 0.00 53.44 51.78 1k9s n ALA 194 Cb 0.53 0.79 -0.16 0.00 0.00 0.00 0.00 19.45 20.60 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 -3.05 2.23 0.09 0.00 1.02 -0.64 -4.52 119.74 114.87 1k9s s LYS 195 Ca 0.04 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.16 1k9s s LYS 195 Cb 0.00 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 1k9s s LYS 195 CO 0.03 0.43 -0.00 0.00 -0.92 0.00 0.00 175.35 174.89 1k9s s ALA 196 N -0.32 0.71 -0.13 5.17 0.00 -1.26 -1.09 121.76 124.84 1k9s s ALA 196 Ca 0.02 -1.33 -0.18 0.00 0.00 0.00 0.00 51.96 50.47 1k9s s ALA 196 Cb -0.12 0.49 0.04 0.00 0.00 0.00 0.00 23.12 23.54 1k9s s ALA 196 CO 0.01 -0.40 0.46 -1.17 0.00 0.00 0.00 175.76 174.66 1k9s s LEU 197 N -2.99 0.25 -0.13 0.00 2.96 -0.35 -1.65 118.68 116.77 1k9s s LEU 197 Ca 0.14 0.73 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 1k9s s LEU 197 Cb 0.08 1.64 0.01 0.00 0.50 0.00 0.00 46.19 48.42 1k9s s LEU 197 CO -0.05 -0.28 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.60 1k9s s THR 198 N -0.27 1.97 -0.05 3.68 2.01 -1.26 -0.11 115.64 121.61 1k9s s THR 198 Ca -0.04 -0.93 0.06 0.00 0.31 0.00 0.00 61.69 61.08 1k9s s THR 198 Cb -0.03 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 1k9s s THR 198 CO 0.03 0.53 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.61 1k9s s ILE 199 N 0.78 2.01 0.11 1.82 1.01 0.15 -1.26 121.20 125.82 1k9s s ILE 199 Ca -0.09 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.56 1k9s s ILE 199 Cb -0.16 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 1k9s s ILE 199 CO -0.00 0.56 -0.11 0.00 0.00 0.00 0.00 174.94 175.39 1k9s s THR 201 N -2.66 3.20 -0.10 0.00 2.01 -0.10 -0.67 115.64 117.31 1k9s s THR 201 Ca 0.09 -0.61 -0.29 0.00 0.31 0.00 0.00 61.69 61.18 1k9s s THR 201 Cb -0.02 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1k9s s THR 201 CO 0.01 0.53 1.81 -0.69 -0.69 0.00 0.00 174.62 175.58 1k9s s VAL 202 N 0.25 3.39 -0.97 3.82 1.01 -0.28 -1.75 120.40 125.87 1k9s s VAL 202 Ca -0.08 0.45 0.17 0.00 0.00 0.00 0.00 61.98 62.52 1k9s s VAL 202 Cb -0.15 -3.35 -0.16 0.00 0.00 0.00 0.00 36.38 32.72 1k9s s VAL 202 CO 0.05 -0.11 0.77 -1.54 0.00 0.00 0.00 175.10 174.28 1k9s n SER 203 N 8.27 0.99 -3.51 3.32 3.41 0.82 -0.44 113.62 126.48 1k9s n SER 203 Ca 0.20 -0.99 -0.10 0.00 -0.26 0.00 0.00 58.87 57.72 1k9s n SER 203 Cb 0.43 0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 65.26 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 -2.55 -0.41 -0.21 4.04 1.47 -1.23 -1.27 116.67 116.51 1k9s s ASP 204 Ca 0.08 0.13 -0.00 0.00 1.18 0.00 0.00 52.55 53.94 1k9s s ASP 204 Cb 0.13 0.40 0.02 0.00 -0.34 0.00 0.00 42.92 43.13 1k9s s ASP 204 CO 0.67 -0.60 -0.13 -2.28 0.68 0.00 0.00 175.17 173.52 1k9s s HIS 205 N -2.63 2.94 0.43 2.11 2.46 -0.17 -0.88 115.29 119.54 1k9s s HIS 205 Ca 0.02 -1.57 0.13 0.00 0.47 0.00 0.00 55.06 54.12 1k9s s HIS 205 Cb -0.01 -1.99 0.93 0.00 -0.13 0.00 0.00 32.58 31.38 1k9s s HIS 205 CO -0.06 -0.75 1.96 0.82 -2.47 0.00 0.00 174.74 174.24 1k9s h ILE 206 N 6.03 1.15 0.00 0.89 2.04 -1.31 0.60 117.51 126.91 1k9s h ILE 206 Ca -0.39 -0.70 -0.10 0.00 1.00 0.00 0.00 64.86 64.66 1k9s h ILE 206 Cb 1.13 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1k9s h ILE 206 CO 0.60 0.21 -0.61 0.03 0.00 0.00 0.00 178.15 178.37 1k9s h ARG 207 N 0.06 0.00 0.00 2.37 -0.00 -1.88 -3.37 114.38 111.56 1k9s h ARG 207 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1k9s h ARG 207 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.33 1k9s h ARG 207 CO 0.02 0.79 0.00 1.79 0.00 0.00 0.00 179.97 182.57 1k9s h THR 208 N -1.00 0.00 -0.02 2.04 1.35 -1.93 -3.47 112.91 109.88 1k9s h THR 208 Ca -0.15 -0.56 -0.01 0.00 -0.55 0.00 0.00 66.41 65.13 1k9s h THR 208 Cb 0.98 1.50 -0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1k9s h THR 208 CO -0.09 0.00 -0.01 1.41 -0.25 0.00 0.00 175.52 176.58 1k9s n HIS 209 N -2.69 0.00 -2.37 4.73 8.25 0.20 -5.01 115.22 118.33 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 0.38 -0.83 -0.02 0.00 1.12 0.00 0.00 29.99 30.63 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 -0.88 3.90 0.10 -0.41 2.02 -1.23 -4.82 118.70 117.37 1k9s s GLU 210 Ca 0.00 1.66 -0.14 0.00 0.02 0.00 0.00 54.97 56.51 1k9s s GLU 210 Cb 0.00 -2.43 0.02 0.00 0.10 0.00 0.00 34.13 31.82 1k9s s GLU 210 CO 0.00 -0.41 0.33 1.14 0.02 0.00 0.00 175.26 176.35 1k9s s GLN 211 N -2.66 0.96 0.25 1.61 -2.07 -1.26 -1.00 119.66 115.48 1k9s s GLN 211 Ca 0.62 -0.71 0.02 0.00 -1.82 0.00 0.00 55.36 53.46 1k9s s GLN 211 Cb -0.26 0.41 -0.04 0.00 -1.09 0.00 0.00 33.01 32.04 1k9s s GLN 211 CO 0.31 -0.34 0.41 0.95 -1.32 0.00 0.00 175.29 175.30 1k9s s THR 212 N -3.51 5.21 0.75 3.63 -4.23 -0.40 -4.99 115.64 112.09 1k9s s THR 212 Ca 0.02 -0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 59.79 1k9s s THR 212 Cb 0.02 -3.81 0.05 0.00 1.34 0.00 0.00 72.50 70.10 1k9s s THR 212 CO -0.10 -0.32 1.12 0.42 -0.54 0.00 0.00 174.62 175.21 1k9s s THR 213 N -2.01 2.74 0.33 3.99 -4.23 -1.26 -4.90 115.64 110.30 1k9s s THR 213 Ca 0.37 0.19 0.01 0.00 -1.18 0.00 0.00 61.69 61.08 1k9s s THR 213 Cb -0.10 -3.23 0.22 0.00 1.34 0.00 0.00 72.50 70.74 1k9s s THR 213 CO 0.31 -0.29 1.94 0.00 -0.54 0.00 0.00 174.62 176.04 1k9s h ALA 214 N -0.81 1.43 -0.61 3.99 0.00 -2.00 -2.06 119.26 119.20 1k9s h ALA 214 Ca -0.45 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 1k9s h ALA 214 Cb 1.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1k9s h ALA 214 CO 0.64 0.46 0.06 0.00 0.00 0.00 0.00 179.25 180.42 1k9s h ALA 215 N 1.52 0.95 -0.43 0.00 0.00 -1.99 -2.05 119.26 117.26 1k9s h ALA 215 Ca 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1k9s h ALA 215 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1k9s h ALA 215 CO -0.03 0.65 0.13 0.93 0.00 0.00 0.00 179.25 180.93 1k9s h GLU 216 N 0.96 0.67 -0.36 0.00 5.08 -1.77 -2.45 114.58 116.70 1k9s h GLU 216 Ca 0.18 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1k9s h GLU 216 Cb 0.47 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1k9s h GLU 216 CO 0.02 0.65 0.01 0.00 -1.00 0.00 0.00 179.01 178.69 1k9s h ARG 217 N 0.55 0.55 -0.01 2.33 3.08 -1.24 -0.51 114.38 119.13 1k9s h ARG 217 Ca 0.14 -0.12 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 1k9s h ARG 217 Cb 0.26 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1k9s h ARG 217 CO -0.00 0.57 -0.71 0.37 -1.07 0.00 0.00 179.97 179.13 1k9s h GLN 218 N 0.53 0.07 0.00 0.04 4.15 -1.14 -3.41 115.11 115.34 1k9s h GLN 218 Ca 0.11 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1k9s h GLN 218 Cb 0.32 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1k9s h GLN 218 CO 0.01 0.75 0.00 0.25 -1.93 0.00 0.00 178.83 177.91 1k9s n THR 219 N -3.73 0.01 -0.02 2.39 -2.24 -0.94 -4.29 114.28 105.46 1k9s n THR 219 Ca -0.02 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1k9s n THR 219 Cb 0.69 1.54 0.00 0.00 -2.10 0.00 0.00 70.33 70.46 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 -2.50 4.28 -2.24 -0.21 -4.82 114.28 108.79 1k9s n THR 220 Ca 0.00 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.86 1k9s n THR 220 Cb 0.36 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 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 -0.14 3.34 0.04 4.78 3.72 -1.25 -4.72 117.46 123.23 1k9s n PHE 221 Ca 0.00 -2.90 0.06 0.00 -0.05 0.00 0.00 57.45 54.56 1k9s n PHE 221 Cb 0.00 -1.96 -0.08 0.00 -0.94 0.00 0.00 39.48 36.50 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 4.10 0.58 -0.24 4.37 5.03 -1.26 -4.20 115.26 123.63 1k9s n ASN 222 Ca 0.38 0.24 -0.02 0.00 0.87 0.00 0.00 54.58 56.06 1k9s n ASN 222 Cb 0.37 0.78 0.10 0.00 -1.02 0.00 0.00 39.78 40.01 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 0.57 0.35 6.41 3.32 -1.98 -0.99 116.42 124.11 1k9s h ASP 223 Ca -0.10 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 1k9s h ASP 223 Cb 1.29 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1k9s h ASP 223 CO 0.02 0.37 -0.30 0.00 -1.72 0.00 0.00 179.24 177.60 1k9s h MET 224 N 0.71 0.00 -0.21 3.56 -0.00 -1.96 -1.38 114.93 115.65 1k9s h MET 224 Ca 0.30 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.85 1k9s h MET 224 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.78 1k9s h MET 224 CO -0.18 0.30 -0.48 0.82 -0.00 0.00 0.00 176.91 177.38 1k9s h ILE 225 N 0.00 1.31 -0.47 -0.10 1.08 -1.46 -0.95 117.51 116.93 1k9s h ILE 225 Ca -0.00 -1.70 -0.00 0.00 -0.39 0.00 0.00 64.86 62.76 1k9s h ILE 225 Cb 0.56 1.85 -0.02 0.00 -3.07 0.00 0.00 36.82 36.14 1k9s h ILE 225 CO 0.04 0.53 0.28 0.50 -0.69 0.00 0.00 178.15 178.81 1k9s h LYS 226 N 0.39 0.64 -0.03 2.37 1.63 -0.87 -0.71 116.57 119.99 1k9s h LYS 226 Ca -0.00 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1k9s h LYS 226 Cb 1.09 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.58 1k9s h LYS 226 CO 0.10 0.48 -0.00 0.82 -3.45 0.00 0.00 179.45 177.40 1k9s h ILE 227 N 0.62 0.98 -0.09 2.00 2.04 -1.21 -1.15 117.51 120.71 1k9s h ILE 227 Ca 0.17 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.05 1k9s h ILE 227 Cb 0.01 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1k9s h ILE 227 CO -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 178.02 1k9s h ALA 228 N 1.03 -0.03 -0.41 1.87 0.00 -0.87 0.12 119.26 120.97 1k9s h ALA 228 Ca 0.02 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1k9s h ALA 228 Cb 0.02 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1k9s h ALA 228 CO -0.03 -0.56 0.16 -0.07 0.00 0.00 0.00 179.25 178.75 1k9s h LEU 229 N -0.13 0.57 -1.05 0.00 3.38 -1.06 -2.34 115.31 114.69 1k9s h LEU 229 Ca 0.07 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1k9s h LEU 229 Cb 0.22 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1k9s h LEU 229 CO -0.16 0.59 -0.29 -0.33 0.09 0.00 0.00 178.44 178.34 1k9s h GLU 230 N 0.52 0.32 -0.23 1.13 4.39 -1.04 -2.42 114.58 117.25 1k9s h GLU 230 Ca 0.14 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1k9s h GLU 230 Cb 0.20 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1k9s h GLU 230 CO -0.01 0.59 -0.07 0.66 -1.16 0.00 0.00 179.01 179.02 1k9s h SER 231 N 0.28 0.33 -0.40 1.42 4.64 -0.46 -2.09 113.55 117.29 1k9s h SER 231 Ca 0.04 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 1k9s h SER 231 Cb 0.66 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1k9s h SER 231 CO 0.05 0.45 0.14 0.58 -0.87 0.00 0.00 176.83 177.18 1k9s h VAL 232 N 0.34 1.21 -0.91 0.95 2.07 -0.91 -1.06 116.25 117.93 1k9s h VAL 232 Ca 0.07 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1k9s h VAL 232 Cb 0.35 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1k9s h VAL 232 CO 0.02 0.24 0.57 -0.07 0.02 0.00 0.00 177.57 178.34 1k9s h LEU 233 N 0.49 1.07 -0.92 2.57 3.38 -1.34 -1.26 115.31 119.30 1k9s h LEU 233 Ca 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1k9s h LEU 233 Cb 0.23 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1k9s h LEU 233 CO -0.01 0.80 0.55 -0.07 0.09 0.00 0.00 178.44 179.81 1k9s h LEU 234 N 1.24 1.11 -1.37 1.67 3.38 -1.08 -2.45 115.31 117.81 1k9s h LEU 234 Ca 0.33 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 1k9s h LEU 234 Cb -0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 1k9s h LEU 234 CO -0.07 0.85 -0.29 1.23 0.09 0.00 0.00 178.44 180.25 1k9s h GLY 235 N 1.27 0.04 2.00 0.83 0.00 -0.09 -2.57 103.07 104.56 1k9s h GLY 235 Ca 0.33 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.59 1k9s h GLY 235 CO -0.06 0.03 -0.22 -0.55 0.00 0.00 0.00 176.54 175.74 1k9s h ASP 236 N 0.03 0.00 -0.01 0.19 3.32 -0.84 -3.51 116.42 115.60 1k9s h ASP 236 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1k9s h ASP 236 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1k9s h ASP 236 CO 0.04 0.22 0.00 0.29 -1.72 0.00 0.00 179.24 178.07