#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rm9 n GLY 4 N 0.00 -1.35 0.18 0.72 0.00 -1.26 -3.50 105.19 99.98 1rm9 n GLY 4 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 45.89 1rm9 n GLY 4 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1rm9 h GLU 5 N 0.07 0.00 0.00 1.61 4.81 -1.91 -2.90 114.58 116.26 1rm9 h GLU 5 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rm9 h GLU 5 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1rm9 h GLU 5 CO 0.00 0.43 0.00 0.93 -0.73 0.00 0.00 179.01 179.64 1rm9 h GLU 6 N 0.00 0.00 -0.00 1.92 5.08 -1.94 -2.75 114.58 116.89 1rm9 h GLU 6 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rm9 h GLU 6 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1rm9 h GLU 6 CO 0.06 0.00 -0.03 1.28 -1.00 0.00 0.00 179.01 179.32 1rm9 n LEU 7 N -2.60 0.07 -0.11 1.33 4.77 -1.10 -3.66 117.00 115.71 1rm9 n LEU 7 Ca 0.01 0.28 0.01 0.00 -0.03 0.00 0.00 56.01 56.28 1rm9 n LEU 7 Cb 0.23 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1rm9 n LEU 7 CO 0.21 0.01 0.37 0.49 -1.33 0.00 0.00 177.39 177.15 1rm9 n PHE 8 N -1.29 0.03 0.29 -1.77 3.72 -1.04 -4.73 117.46 112.67 1rm9 n PHE 8 Ca 0.13 -0.17 0.17 0.00 -0.05 0.00 0.00 57.45 57.53 1rm9 n PHE 8 Cb 0.27 -0.02 0.86 0.00 -0.94 0.00 0.00 39.48 39.65 1rm9 n PHE 8 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1rm9 h THR 9 N 0.46 0.10 -1.76 4.37 1.35 -1.63 -3.35 112.91 112.44 1rm9 h THR 9 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1rm9 h THR 9 Cb 0.25 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1rm9 h THR 9 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1rm9 n GLY 10 N -1.26 6.12 3.68 5.82 0.00 -1.26 -4.72 105.19 113.57 1rm9 n GLY 10 Ca -0.00 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 1rm9 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rm9 s VAL 11 N -0.30 4.30 -0.18 1.61 1.01 -1.26 -4.41 120.40 121.18 1rm9 s VAL 11 Ca 0.00 1.60 -0.01 0.00 0.00 0.00 0.00 61.98 63.57 1rm9 s VAL 11 Cb 0.00 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 1rm9 s VAL 11 CO 0.00 -0.05 -0.12 -0.69 0.00 0.00 0.00 175.10 174.24 1rm9 s VAL 12 N 2.65 2.86 0.24 2.92 1.01 0.82 -4.88 120.40 126.03 1rm9 s VAL 12 Ca 0.55 -0.69 -0.31 0.00 0.00 0.00 0.00 61.98 61.53 1rm9 s VAL 12 Cb -0.23 -2.24 -0.13 0.00 0.00 0.00 0.00 36.38 33.78 1rm9 s VAL 12 CO 0.19 0.49 1.52 -2.65 0.00 0.00 0.00 175.10 174.65 1rm9 n PRO 13 N 4.30 2.32 -4.60 2.72 -0.02 -1.26 -1.51 135.00 136.96 1rm9 n PRO 13 Ca -0.19 0.83 -0.33 0.00 -2.02 0.00 0.00 63.50 61.79 1rm9 n PRO 13 Cb 0.51 -2.56 -0.16 0.00 -0.02 0.00 0.00 33.50 31.28 1rm9 n PRO 13 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1rm9 s ILE 14 N 0.20 2.49 -0.12 4.25 1.01 0.42 -1.02 121.20 128.43 1rm9 s ILE 14 Ca 0.69 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 1rm9 s ILE 14 Cb -0.59 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 1rm9 s ILE 14 CO 0.46 0.53 -0.12 -0.76 0.00 0.00 0.00 174.94 175.05 1rm9 s LEU 15 N 0.79 2.82 -0.13 2.97 1.43 -0.04 -2.54 118.68 123.98 1rm9 s LEU 15 Ca -0.06 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1rm9 s LEU 15 Cb -0.15 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.46 1rm9 s LEU 15 CO -0.00 0.20 -0.07 -0.69 0.23 0.00 0.00 176.35 176.02 1rm9 s VAL 16 N 0.14 1.08 -0.17 -1.59 1.01 0.89 -1.32 120.40 120.44 1rm9 s VAL 16 Ca -0.06 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1rm9 s VAL 16 Cb -0.15 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.13 1rm9 s VAL 16 CO 0.04 0.32 -0.19 -1.61 0.00 0.00 0.00 175.10 173.67 1rm9 s GLU 17 N 1.68 2.80 -0.04 2.72 0.41 -1.06 0.32 118.70 125.53 1rm9 s GLU 17 Ca 0.04 -0.76 0.03 0.00 -0.41 0.00 0.00 54.97 53.87 1rm9 s GLU 17 Cb -0.13 -2.42 0.00 0.00 -1.78 0.00 0.00 34.13 29.80 1rm9 s GLU 17 CO -0.08 -0.19 -0.11 -1.17 -0.49 0.00 0.00 175.26 173.21 1rm9 s LEU 18 N 1.28 1.76 -0.16 1.80 0.20 0.07 -0.15 118.68 123.48 1rm9 s LEU 18 Ca 0.03 -0.24 0.02 0.00 0.69 0.00 0.00 54.13 54.63 1rm9 s LEU 18 Cb -0.13 -0.68 0.02 0.00 -0.43 0.00 0.00 46.19 44.97 1rm9 s LEU 18 CO -0.11 0.07 -0.20 -1.81 -0.29 0.00 0.00 176.35 174.01 1rm9 s ASP 19 N 0.28 3.06 0.20 3.68 1.01 -0.98 -0.92 116.67 123.00 1rm9 s ASP 19 Ca -0.06 -0.61 0.05 0.00 0.71 0.00 0.00 52.55 52.65 1rm9 s ASP 19 Cb -0.11 -1.43 -0.05 0.00 1.01 0.00 0.00 42.92 42.35 1rm9 s ASP 19 CO 0.01 0.03 -0.08 -0.83 0.21 0.00 0.00 175.17 174.51 1rm9 s GLY 20 N 1.11 1.39 -0.29 0.21 0.00 -0.96 -0.19 107.32 108.59 1rm9 s GLY 20 Ca 0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 44.72 43.04 1rm9 s GLY 20 CO -0.08 -1.69 0.26 -0.35 0.00 0.00 0.00 173.10 171.24 1rm9 s ASP 21 N -3.28 2.10 -0.28 1.64 -1.08 -0.34 -1.92 116.67 113.50 1rm9 s ASP 21 Ca 0.23 -0.94 -0.08 0.00 -0.52 0.00 0.00 52.55 51.24 1rm9 s ASP 21 Cb 0.03 0.30 -0.01 0.00 -1.46 0.00 0.00 42.92 41.78 1rm9 s ASP 21 CO 0.06 -0.39 0.10 -0.69 0.52 0.00 0.00 175.17 174.76 1rm9 s VAL 22 N 2.24 4.27 -1.08 1.11 1.01 -1.01 0.12 120.40 127.06 1rm9 s VAL 22 Ca 0.10 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1rm9 s VAL 22 Cb -0.15 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1rm9 s VAL 22 CO -0.32 0.16 0.00 0.59 0.00 0.00 0.00 175.10 175.53 1rm9 n ASN 23 N 4.92 -3.30 0.00 3.32 4.13 0.10 -0.08 115.26 124.35 1rm9 n ASN 23 Ca -0.15 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1rm9 n ASN 23 Cb 0.49 -2.98 0.00 0.00 -1.54 0.00 0.00 39.78 35.75 1rm9 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rm9 n GLY 24 N -0.49 0.26 3.47 7.41 0.00 -1.26 -5.04 105.19 109.53 1rm9 n GLY 24 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1rm9 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rm9 s HIS 25 N -2.00 2.86 0.24 1.61 3.76 0.88 -5.04 115.29 117.60 1rm9 s HIS 25 Ca 0.00 -0.36 -0.23 0.00 -0.15 0.00 0.00 55.06 54.31 1rm9 s HIS 25 Cb 0.00 -3.96 -0.09 0.00 1.11 0.00 0.00 32.58 29.65 1rm9 s HIS 25 CO 0.00 -1.32 0.81 0.15 -0.85 0.00 0.00 174.74 173.53 1rm9 s LYS 26 N 3.48 4.46 0.34 1.40 1.02 -1.26 -2.42 119.74 126.76 1rm9 s LYS 26 Ca 0.22 1.11 -0.14 0.00 0.02 0.00 0.00 55.97 57.18 1rm9 s LYS 26 Cb -0.16 -2.97 0.03 0.00 -0.52 0.00 0.00 37.83 34.21 1rm9 s LYS 26 CO 0.14 0.41 0.69 -0.59 -0.92 0.00 0.00 175.35 175.08 1rm9 s PHE 27 N -1.44 0.24 -0.06 3.18 -0.71 -0.81 -4.97 117.98 113.41 1rm9 s PHE 27 Ca 0.43 -0.76 -0.08 0.00 -1.04 0.00 0.00 56.93 55.48 1rm9 s PHE 27 Cb -0.19 0.58 0.02 0.00 -1.21 0.00 0.00 43.02 42.22 1rm9 s PHE 27 CO 0.24 -1.36 0.21 -1.12 -1.34 0.00 0.00 175.22 171.84 1rm9 s SER 28 N -3.06 -0.18 -0.04 1.98 0.01 -1.26 -2.28 113.70 108.87 1rm9 s SER 28 Ca 0.18 0.32 0.04 0.00 1.31 0.00 0.00 55.95 57.80 1rm9 s SER 28 Cb -0.04 0.39 -0.00 0.00 0.21 0.00 0.00 66.02 66.58 1rm9 s SER 28 CO 0.12 -0.14 -0.16 -0.69 0.41 0.00 0.00 173.24 172.79 1rm9 s VAL 29 N -0.18 1.30 -0.03 3.43 1.01 -0.10 -1.46 120.40 124.37 1rm9 s VAL 29 Ca -0.03 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1rm9 s VAL 29 Cb -0.03 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1rm9 s VAL 29 CO 0.01 0.38 -0.25 -0.44 0.00 0.00 0.00 175.10 174.79 1rm9 s SER 30 N 0.06 3.01 -0.02 3.32 0.01 0.26 -0.75 113.70 119.59 1rm9 s SER 30 Ca -0.03 -0.47 -0.04 0.00 1.31 0.00 0.00 55.95 56.71 1rm9 s SER 30 Cb -0.11 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1rm9 s SER 30 CO 0.02 0.29 0.10 -0.83 0.41 0.00 0.00 173.24 173.23 1rm9 s GLY 31 N -0.47 -0.00 0.13 3.44 0.00 0.15 0.65 107.32 111.21 1rm9 s GLY 31 Ca 0.06 0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.88 1rm9 s GLY 31 CO 0.00 -0.01 -0.08 -0.54 0.00 0.00 0.00 173.10 172.48 1rm9 s GLU 32 N -0.55 0.98 0.00 2.90 2.02 -0.68 -0.08 118.70 123.28 1rm9 s GLU 32 Ca -0.06 -1.41 0.00 0.00 0.02 0.00 0.00 54.97 53.51 1rm9 s GLU 32 Cb -0.04 -0.44 0.00 0.00 0.10 0.00 0.00 34.13 33.75 1rm9 s GLU 32 CO 0.00 0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.72 1rm9 n GLY 33 N -0.14 -1.24 3.34 -1.39 0.00 -1.05 -1.64 105.19 103.07 1rm9 n GLY 33 Ca -0.11 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 1rm9 n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rm9 s GLU 34 N -0.92 1.29 -0.06 1.61 2.02 -0.24 -0.44 118.70 121.96 1rm9 s GLU 34 Ca 0.00 -1.36 0.02 0.00 0.02 0.00 0.00 54.97 53.65 1rm9 s GLU 34 Cb 0.00 -1.48 0.02 0.00 0.10 0.00 0.00 34.13 32.77 1rm9 s GLU 34 CO 0.00 0.32 -0.10 0.20 0.02 0.00 0.00 175.26 175.70 1rm9 s GLY 35 N -2.42 0.70 -0.48 -1.39 0.00 -0.57 -1.92 107.32 101.25 1rm9 s GLY 35 Ca 0.14 -0.32 0.03 0.00 0.00 0.00 0.00 44.72 44.57 1rm9 s GLY 35 CO 0.06 0.27 0.27 -0.35 0.00 0.00 0.00 173.10 173.35 1rm9 s ASP 36 N 0.83 3.79 0.46 1.64 -1.08 -0.10 -0.12 116.67 122.10 1rm9 s ASP 36 Ca -0.12 -2.82 0.17 0.00 -0.52 0.00 0.00 52.55 49.26 1rm9 s ASP 36 Cb -0.15 -1.19 1.14 0.00 -1.46 0.00 0.00 42.92 41.26 1rm9 s ASP 36 CO 0.02 -0.24 1.99 0.00 0.52 0.00 0.00 175.17 177.46 1rm9 h ALA 37 N 6.53 2.14 -1.03 3.66 0.00 -1.70 0.57 119.26 129.42 1rm9 h ALA 37 Ca -0.00 -0.01 0.31 0.00 0.00 0.00 0.00 54.91 55.20 1rm9 h ALA 37 Cb 0.91 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.52 1rm9 h ALA 37 CO 0.54 -0.27 0.61 1.15 0.00 0.00 0.00 179.25 181.29 1rm9 h THR 38 N 0.28 0.37 -0.02 0.00 2.02 -1.85 0.01 112.91 113.73 1rm9 h THR 38 Ca 0.25 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1rm9 h THR 38 Cb 0.63 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1rm9 h THR 38 CO -0.05 0.07 0.00 -1.22 0.37 0.00 0.00 175.52 174.68 1rm9 n TYR 39 N -4.93 0.03 -2.35 3.16 4.01 -0.49 -4.89 117.16 111.70 1rm9 n TYR 39 Ca 0.30 -0.62 -0.14 0.00 -0.16 0.00 0.00 57.90 57.28 1rm9 n TYR 39 Cb 0.95 -0.08 -0.01 0.00 -0.31 0.00 0.00 39.34 39.89 1rm9 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rm9 n GLY 40 N -0.68 -0.36 3.69 2.72 0.00 0.07 -4.76 105.19 105.87 1rm9 n GLY 40 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1rm9 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rm9 s LYS 41 N -4.89 4.30 -0.11 1.61 2.20 -0.59 -2.18 119.74 120.08 1rm9 s LYS 41 Ca 0.00 0.64 0.01 0.00 -0.36 0.00 0.00 55.97 56.27 1rm9 s LYS 41 Cb 0.00 -3.51 0.02 0.00 -1.51 0.00 0.00 37.83 32.82 1rm9 s LYS 41 CO 0.00 -0.07 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.27 1rm9 s LEU 42 N 1.33 1.68 -0.16 5.43 1.43 -0.59 -0.92 118.68 126.88 1rm9 s LEU 42 Ca 0.30 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1rm9 s LEU 42 Cb -0.16 -1.08 0.03 0.00 0.03 0.00 0.00 46.19 45.01 1rm9 s LEU 42 CO 0.12 -0.00 -0.13 0.42 0.23 0.00 0.00 176.35 177.00 1rm9 s THR 43 N 1.09 1.56 0.02 5.49 -4.23 -0.81 -1.34 115.64 117.41 1rm9 s THR 43 Ca -0.05 -0.72 -0.05 0.00 -1.18 0.00 0.00 61.69 59.69 1rm9 s THR 43 Cb -0.14 -1.52 -0.01 0.00 1.34 0.00 0.00 72.50 72.17 1rm9 s THR 43 CO -0.03 0.36 0.09 -0.76 -0.54 0.00 0.00 174.62 173.75 1rm9 s LEU 44 N 1.48 1.76 -0.07 4.79 1.02 -0.48 -1.08 118.68 126.10 1rm9 s LEU 44 Ca 0.03 -0.37 0.02 0.00 0.02 0.00 0.00 54.13 53.83 1rm9 s LEU 44 Cb -0.14 0.54 0.01 0.00 0.02 0.00 0.00 46.19 46.63 1rm9 s LEU 44 CO -0.10 -0.40 -0.12 -0.75 0.02 0.00 0.00 176.35 174.99 1rm9 s LYS 45 N -1.80 1.76 -0.01 1.70 2.20 -0.65 0.57 119.74 123.51 1rm9 s LYS 45 Ca -0.12 -0.43 0.04 0.00 -0.36 0.00 0.00 55.97 55.11 1rm9 s LYS 45 Cb -0.06 -1.48 -0.03 0.00 -1.51 0.00 0.00 37.83 34.75 1rm9 s LYS 45 CO -0.01 0.00 -0.13 -0.06 -0.36 0.00 0.00 175.35 174.80 1rm9 s PHE 46 N 0.75 2.72 0.03 4.03 0.40 -0.19 -1.69 117.98 124.04 1rm9 s PHE 46 Ca -0.13 -0.15 0.06 0.00 -0.60 0.00 0.00 56.93 56.12 1rm9 s PHE 46 Cb -0.16 -1.58 -0.02 0.00 0.51 0.00 0.00 43.02 41.77 1rm9 s PHE 46 CO 0.03 0.26 -0.17 0.42 0.70 0.00 0.00 175.22 176.45 1rm9 s ILE 47 N -0.85 1.37 -0.54 0.64 -1.09 0.21 -1.44 121.20 119.48 1rm9 s ILE 47 Ca 0.14 -1.04 -0.21 0.00 -2.23 0.00 0.00 60.65 57.31 1rm9 s ILE 47 Cb -0.11 -1.20 0.06 0.00 -1.58 0.00 0.00 42.46 39.64 1rm9 s ILE 47 CO 0.04 0.14 0.74 0.00 -1.23 0.00 0.00 174.94 174.62 1rm9 h THR 49 N 5.92 0.00 -0.19 0.00 1.35 -1.59 -2.92 112.91 115.48 1rm9 h THR 49 Ca -0.28 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1rm9 h THR 49 Cb 1.09 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1rm9 h THR 49 CO 1.03 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.65 1rm9 n THR 50 N -2.47 0.26 0.00 6.82 -2.24 -1.25 -4.97 114.28 110.44 1rm9 n THR 50 Ca 0.01 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1rm9 n THR 50 Cb 0.20 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1rm9 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rm9 n GLY 51 N 1.20 1.28 3.82 3.38 0.00 -1.10 -4.99 105.19 108.78 1rm9 n GLY 51 Ca 0.14 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 1rm9 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rm9 s LYS 52 N 0.00 3.81 -0.17 1.61 -0.14 -1.26 -4.14 119.74 119.45 1rm9 s LYS 52 Ca 0.00 0.06 -0.29 0.00 -1.36 0.00 0.00 55.97 54.38 1rm9 s LYS 52 Cb 0.00 -3.27 -0.01 0.00 -1.68 0.00 0.00 37.83 32.87 1rm9 s LYS 52 CO 0.00 0.60 1.18 -1.17 -0.76 0.00 0.00 175.35 175.20 1rm9 s LEU 53 N -0.61 4.17 0.02 3.17 2.96 -1.26 -4.90 118.68 122.23 1rm9 s LEU 53 Ca 0.17 1.61 0.10 0.00 -0.22 0.00 0.00 54.13 55.79 1rm9 s LEU 53 Cb -0.13 -3.54 0.43 0.00 0.50 0.00 0.00 46.19 43.45 1rm9 s LEU 53 CO 0.06 -0.70 1.32 -0.81 -1.32 0.00 0.00 176.35 174.90 1rm9 n PRO 54 N 6.31 0.01 -4.30 0.98 -0.04 -1.26 -4.77 135.00 131.93 1rm9 n PRO 54 Ca 0.13 0.36 -0.16 0.00 -0.04 0.00 0.00 63.50 63.79 1rm9 n PRO 54 Cb 0.45 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 1rm9 n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1rm9 s VAL 55 N -3.03 0.57 0.00 0.52 -7.23 -1.26 -4.68 120.40 105.29 1rm9 s VAL 55 Ca 0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1rm9 s VAL 55 Cb 0.06 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.47 1rm9 s VAL 55 CO 0.18 -0.09 0.00 -2.65 -0.31 0.00 0.00 175.10 172.22 1rm9 n PRO 56 N -0.42 2.42 0.00 4.82 -0.02 -1.26 -4.99 135.00 135.56 1rm9 n PRO 56 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1rm9 n PRO 56 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.14 1rm9 n PRO 56 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1rm9 n PRO 58 N 0.00 0.00 0.00 0.52 -0.02 -1.26 -3.90 135.00 130.34 1rm9 n PRO 58 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.64 1rm9 n PRO 58 Cb 0.00 0.00 0.87 0.00 -0.02 0.00 0.00 33.50 34.35 1rm9 n PRO 58 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1rm9 n THR 59 N 0.00 0.00 0.05 3.45 -2.24 -1.26 -3.06 114.28 111.22 1rm9 n THR 59 Ca 0.00 -0.02 0.01 0.00 -2.27 0.00 0.00 64.05 61.76 1rm9 n THR 59 Cb 0.00 -0.40 0.01 0.00 -2.10 0.00 0.00 70.33 67.84 1rm9 n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1rm9 n LEU 60 N -0.94 1.27 0.12 3.22 4.77 -1.25 -4.76 117.00 119.44 1rm9 n LEU 60 Ca 0.22 -1.14 -0.14 0.00 -0.03 0.00 0.00 56.01 54.92 1rm9 n LEU 60 Cb 0.16 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1rm9 n LEU 60 CO 0.19 0.30 0.80 0.58 -1.33 0.00 0.00 177.39 177.93 1rm9 h VAL 61 N 0.30 0.84 0.00 4.08 2.07 -1.89 0.19 116.25 121.84 1rm9 h VAL 61 Ca 0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1rm9 h VAL 61 Cb 0.13 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1rm9 h VAL 61 CO 0.00 0.02 0.00 0.35 0.02 0.00 0.00 177.57 177.96 1rm9 n THR 62 N -5.18 0.93 -0.12 2.57 -2.24 -1.26 -3.19 114.28 105.80 1rm9 n THR 62 Ca -0.09 0.30 -0.25 0.00 -2.27 0.00 0.00 64.05 61.74 1rm9 n THR 62 Cb 0.13 -1.21 -0.11 0.00 -2.10 0.00 0.00 70.33 67.04 1rm9 n THR 62 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1rm9 n THR 63 N -2.08 1.54 -0.38 4.28 -1.04 -0.91 -4.90 114.28 110.80 1rm9 n THR 63 Ca 0.02 -0.23 -0.06 0.00 -2.04 0.00 0.00 64.05 61.75 1rm9 n THR 63 Cb 0.19 -1.94 -0.05 0.00 -1.82 0.00 0.00 70.33 66.70 1rm9 n THR 63 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1rm9 n LEU 64 N -4.27 2.08 0.00 -4.42 4.77 0.01 -5.01 117.00 110.16 1rm9 n LEU 64 Ca -0.42 -1.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.98 1rm9 n LEU 64 Cb 0.80 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1rm9 n LEU 64 CO 0.14 0.25 0.00 1.33 -1.33 0.00 0.00 177.39 177.78 1rm9 n VAL 68 N 3.05 0.00 0.00 4.08 0.24 -1.26 -4.98 118.33 119.46 1rm9 n VAL 68 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 1rm9 n VAL 68 Cb 0.30 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 1rm9 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rm9 n GLN 69 N 0.00 0.00 -0.02 7.34 6.02 -1.26 -1.23 117.38 128.23 1rm9 n GLN 69 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 1rm9 n GLN 69 Cb 0.00 -1.45 0.56 0.00 1.02 0.00 0.00 30.24 30.36 1rm9 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rm9 n PHE 71 N -0.07 0.96 -3.01 0.00 3.72 -0.36 -4.57 117.46 114.11 1rm9 n PHE 71 Ca 0.19 -0.65 -0.34 0.00 -0.05 0.00 0.00 57.45 56.60 1rm9 n PHE 71 Cb 0.28 -0.19 -0.06 0.00 -0.94 0.00 0.00 39.48 38.57 1rm9 n PHE 71 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1rm9 s SER 72 N -1.25 6.92 -0.30 4.37 1.04 -1.23 -3.98 113.70 119.27 1rm9 s SER 72 Ca 0.39 1.46 -0.23 0.00 0.48 0.00 0.00 55.95 58.04 1rm9 s SER 72 Cb 0.26 -2.44 -0.00 0.00 0.10 0.00 0.00 66.02 63.93 1rm9 s SER 72 CO 0.17 -0.19 0.79 -0.60 0.98 0.00 0.00 173.24 174.38 1rm9 s ARG 73 N -2.78 4.00 -0.27 4.02 3.52 -0.54 -4.81 118.95 122.10 1rm9 s ARG 73 Ca 0.54 0.64 -0.11 0.00 -0.13 0.00 0.00 55.73 56.67 1rm9 s ARG 73 Cb -0.12 -3.71 -0.05 0.00 -1.56 0.00 0.00 34.95 29.51 1rm9 s ARG 73 CO 0.17 -0.65 0.17 0.71 -0.81 0.00 0.00 175.30 174.90 1rm9 s TYR 74 N 2.93 3.24 0.58 5.12 1.51 -1.26 -1.31 117.35 128.16 1rm9 s TYR 74 Ca 0.32 0.12 -0.18 0.00 -1.01 0.00 0.00 57.07 56.33 1rm9 s TYR 74 Cb -0.14 -2.34 -0.07 0.00 -0.11 0.00 0.00 41.96 39.30 1rm9 s TYR 74 CO 0.12 -0.10 0.64 -2.30 -1.11 0.00 0.00 175.55 172.79 1rm9 n PRO 75 N 4.80 0.59 -0.27 -1.71 -0.02 -1.26 -4.56 135.00 132.58 1rm9 n PRO 75 Ca -0.14 0.23 0.08 0.00 -2.02 0.00 0.00 63.50 61.65 1rm9 n PRO 75 Cb 0.52 -1.83 0.21 0.00 -0.02 0.00 0.00 33.50 32.39 1rm9 n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1rm9 h ASP 76 N 0.27 0.09 0.00 2.55 3.58 -2.01 0.13 116.42 121.04 1rm9 h ASP 76 Ca -0.46 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1rm9 h ASP 76 Cb 1.39 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.62 1rm9 h ASP 76 CO 0.48 -0.03 0.00 0.00 -2.88 0.00 0.00 179.24 176.81 1rm9 n HIS 77 N -5.13 0.00 -0.02 0.28 1.44 -1.26 -2.54 115.22 107.99 1rm9 n HIS 77 Ca 0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.87 1rm9 n HIS 77 Cb 0.51 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.62 1rm9 n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1rm9 n MET 78 N -0.88 4.17 0.00 -1.40 2.81 0.41 -4.73 117.12 117.50 1rm9 n MET 78 Ca 0.12 -0.15 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1rm9 n MET 78 Cb 0.05 -0.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.94 1rm9 n MET 78 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1rm9 n LYS 79 N -0.64 0.00 -0.08 0.03 5.02 -0.83 0.60 118.16 122.26 1rm9 n LYS 79 Ca 0.00 0.28 0.10 0.00 -2.02 0.00 0.00 58.31 56.66 1rm9 n LYS 79 Cb 0.01 -1.56 0.37 0.00 -0.02 0.00 0.00 35.03 33.82 1rm9 n LYS 79 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1rm9 n ARG 80 N -1.25 1.67 -0.07 1.97 0.00 -1.26 -3.68 116.66 114.04 1rm9 n ARG 80 Ca 0.00 -1.01 0.06 0.00 -0.00 0.00 0.00 57.85 56.90 1rm9 n ARG 80 Cb 0.06 -1.37 0.09 0.00 -0.00 0.00 0.00 32.46 31.24 1rm9 n ARG 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1rm9 n HIS 81 N 0.24 0.00 -3.03 2.89 8.25 0.20 -4.69 115.22 119.08 1rm9 n HIS 81 Ca 0.15 -0.78 -0.45 0.00 -0.26 0.00 0.00 57.72 56.39 1rm9 n HIS 81 Cb 0.30 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 1rm9 n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1rm9 s ASP 82 N -2.15 6.69 0.06 0.41 -1.08 -1.24 -4.52 116.67 114.83 1rm9 s ASP 82 Ca 0.20 -2.25 -0.22 0.00 -0.52 0.00 0.00 52.55 49.75 1rm9 s ASP 82 Cb 0.17 -2.35 -0.14 0.00 -1.46 0.00 0.00 42.92 39.15 1rm9 s ASP 82 CO 0.02 -0.92 1.53 0.15 0.52 0.00 0.00 175.17 176.46 1rm9 h PHE 83 N 8.50 0.16 -0.24 -5.34 3.57 -1.93 -2.92 116.94 118.73 1rm9 h PHE 83 Ca 0.15 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.68 1rm9 h PHE 83 Cb 1.02 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.64 1rm9 h PHE 83 CO 1.13 0.35 -0.49 0.74 -2.23 0.00 0.00 178.31 177.80 1rm9 h PHE 84 N -0.07 -1.45 -0.15 0.41 0.04 -1.89 -2.33 116.94 111.50 1rm9 h PHE 84 Ca 0.03 0.06 -0.12 0.00 2.80 0.00 0.00 57.97 60.75 1rm9 h PHE 84 Cb 0.27 0.67 -0.01 0.00 2.20 0.00 0.00 35.95 39.07 1rm9 h PHE 84 CO 0.01 -0.50 -0.42 0.87 -0.60 0.00 0.00 178.31 177.68 1rm9 h LYS 85 N -0.47 0.34 0.00 1.51 1.57 -1.81 -3.05 116.57 114.66 1rm9 h LYS 85 Ca 0.08 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1rm9 h LYS 85 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1rm9 h LYS 85 CO -0.49 0.70 -0.04 0.66 -0.57 0.00 0.00 179.45 179.72 1rm9 h SER 86 N 0.28 0.00 1.21 0.86 4.64 -1.25 -2.20 113.55 117.10 1rm9 h SER 86 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1rm9 h SER 86 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1rm9 h SER 86 CO 0.07 0.04 -0.42 0.00 -0.87 0.00 0.00 176.83 175.65 1rm9 h ALA 87 N 1.96 0.74 -2.35 5.18 0.00 -1.32 -3.42 119.26 120.05 1rm9 h ALA 87 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1rm9 h ALA 87 Cb 0.24 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.11 1rm9 h ALA 87 CO 0.01 0.00 0.39 -1.64 0.00 0.00 0.00 179.25 178.01 1rm9 s MET 88 N -3.18 3.21 0.00 0.00 1.00 -0.83 -1.73 119.30 117.76 1rm9 s MET 88 Ca 0.07 0.84 0.28 0.00 0.00 0.00 0.00 55.69 56.87 1rm9 s MET 88 Cb 0.11 -2.03 0.98 0.00 0.00 0.00 0.00 34.83 33.89 1rm9 s MET 88 CO 0.69 -0.88 1.74 -0.35 0.00 0.00 0.00 175.02 176.23 1rm9 n PRO 89 N -2.97 0.04 0.33 2.03 -0.04 -1.26 -4.23 135.00 128.90 1rm9 n PRO 89 Ca 0.07 -0.01 0.22 0.00 -0.04 0.00 0.00 63.50 63.73 1rm9 n PRO 89 Cb 0.54 -1.50 1.15 0.00 -0.04 0.00 0.00 33.50 33.65 1rm9 n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1rm9 h GLU 90 N 0.03 0.00 0.00 0.54 3.07 -1.90 -2.19 114.58 114.13 1rm9 h GLU 90 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1rm9 h GLU 90 Cb 0.49 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1rm9 h GLU 90 CO 0.00 0.00 -0.01 0.41 -1.40 0.00 0.00 179.01 178.02 1rm9 n GLY 91 N -1.03 -2.01 3.41 -3.84 0.00 -0.71 -4.40 105.19 96.61 1rm9 n GLY 91 Ca -0.03 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 1rm9 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rm9 s TYR 92 N -0.12 0.14 -0.18 1.61 -0.85 0.37 -1.95 117.35 116.36 1rm9 s TYR 92 Ca 0.00 -0.50 -0.11 0.00 -0.52 0.00 0.00 57.07 55.93 1rm9 s TYR 92 Cb 0.00 0.15 -0.05 0.00 0.38 0.00 0.00 41.96 42.44 1rm9 s TYR 92 CO 0.00 -0.79 0.19 0.08 -1.52 0.00 0.00 175.55 173.51 1rm9 s VAL 93 N -3.92 5.37 -0.17 -3.49 1.01 0.45 -1.32 120.40 118.34 1rm9 s VAL 93 Ca 0.13 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1rm9 s VAL 93 Cb 0.01 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1rm9 s VAL 93 CO -0.02 0.43 -0.17 -1.58 0.00 0.00 0.00 175.10 173.75 1rm9 s GLN 94 N 0.36 3.11 0.02 2.72 0.74 -0.02 -0.01 119.66 126.59 1rm9 s GLN 94 Ca 0.11 -0.78 0.09 0.00 0.05 0.00 0.00 55.36 54.82 1rm9 s GLN 94 Cb -0.12 -2.62 -0.03 0.00 1.10 0.00 0.00 33.01 31.35 1rm9 s GLN 94 CO 0.00 -0.11 -0.25 -1.21 -0.55 0.00 0.00 175.29 173.18 1rm9 s GLU 95 N 1.09 1.82 0.07 1.67 2.02 0.19 -0.26 118.70 125.29 1rm9 s GLU 95 Ca -0.00 -1.02 -0.00 0.00 0.02 0.00 0.00 54.97 53.97 1rm9 s GLU 95 Cb -0.14 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.14 1rm9 s GLU 95 CO -0.06 0.50 -0.04 1.03 0.02 0.00 0.00 175.26 176.72 1rm9 s ARG 96 N -1.02 0.71 -0.22 1.61 1.81 -0.40 -0.35 118.95 121.10 1rm9 s ARG 96 Ca 0.10 -1.28 -0.04 0.00 -1.72 0.00 0.00 55.73 52.79 1rm9 s ARG 96 Cb -0.10 0.06 0.08 0.00 -0.45 0.00 0.00 34.95 34.54 1rm9 s ARG 96 CO 0.01 -0.09 0.12 0.99 -0.68 0.00 0.00 175.30 175.65 1rm9 s THR 97 N -3.82 -0.11 -0.22 0.02 2.01 -0.59 -1.42 115.64 111.51 1rm9 s THR 97 Ca 0.10 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 61.57 1rm9 s THR 97 Cb 0.07 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 1rm9 s THR 97 CO -0.07 -0.45 0.26 -0.63 -0.69 0.00 0.00 174.62 173.04 1rm9 s ILE 98 N 2.14 5.29 -0.31 1.82 1.01 0.24 -2.26 121.20 129.14 1rm9 s ILE 98 Ca 0.05 0.42 -0.08 0.00 0.00 0.00 0.00 60.65 61.04 1rm9 s ILE 98 Cb -0.16 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.72 1rm9 s ILE 98 CO -0.21 0.31 0.12 -0.36 0.00 0.00 0.00 174.94 174.80 1rm9 s PHE 99 N 1.12 3.18 -0.30 3.97 0.40 0.10 -0.10 117.98 126.35 1rm9 s PHE 99 Ca 0.13 -0.93 -0.19 0.00 -0.60 0.00 0.00 56.93 55.33 1rm9 s PHE 99 Cb -0.14 -2.30 -0.01 0.00 0.51 0.00 0.00 43.02 41.07 1rm9 s PHE 99 CO 0.06 -0.57 0.59 -0.06 0.70 0.00 0.00 175.22 175.93 1rm9 s PHE 100 N 1.52 3.22 0.10 0.36 0.40 -1.00 -0.50 117.98 122.08 1rm9 s PHE 100 Ca 0.02 0.53 -0.36 0.00 -0.60 0.00 0.00 56.93 56.52 1rm9 s PHE 100 Cb -0.18 -2.92 -0.17 0.00 0.51 0.00 0.00 43.02 40.26 1rm9 s PHE 100 CO 0.04 -0.44 1.20 1.17 0.70 0.00 0.00 175.22 177.88 1rm9 n LYS 101 N 5.78 0.86 -3.32 0.44 4.81 0.23 -0.70 118.16 126.26 1rm9 n LYS 101 Ca -0.02 0.31 -0.24 0.00 -0.87 0.00 0.00 58.31 57.49 1rm9 n LYS 101 Cb 0.49 -1.85 0.01 0.00 0.02 0.00 0.00 35.03 33.69 1rm9 n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1rm9 n ASP 102 N 2.14 -4.32 -0.81 3.14 8.00 -1.26 -4.86 116.55 118.58 1rm9 n ASP 102 Ca 0.18 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1rm9 n ASP 102 Cb 0.18 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.75 1rm9 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rm9 n ASP 103 N -2.38 0.00 -3.29 -2.24 -0.08 0.13 -4.91 116.55 103.78 1rm9 n ASP 103 Ca -0.03 -0.81 -0.22 0.00 -1.51 0.00 0.00 54.79 52.22 1rm9 n ASP 103 Cb 0.56 0.00 0.18 0.00 2.34 0.00 0.00 41.12 44.20 1rm9 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rm9 n GLY 104 N 0.00 -2.65 3.14 0.27 0.00 -1.08 -4.55 105.19 100.32 1rm9 n GLY 104 Ca 0.00 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 1rm9 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rm9 s ASN 105 N -3.72 1.18 -0.17 1.61 2.20 -0.71 -2.36 114.94 112.96 1rm9 s ASN 105 Ca 0.53 -0.79 -0.05 0.00 -0.94 0.00 0.00 52.86 51.62 1rm9 s ASN 105 Cb -0.05 0.04 -0.03 0.00 -2.00 0.00 0.00 41.25 39.21 1rm9 s ASN 105 CO 0.40 -0.30 -0.01 -0.31 -2.94 0.00 0.00 177.10 173.94 1rm9 s TYR 106 N -2.44 3.05 -0.25 1.54 2.02 0.86 -2.43 117.35 119.70 1rm9 s TYR 106 Ca 0.02 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.43 1rm9 s TYR 106 Cb -0.03 -2.02 0.05 0.00 -0.40 0.00 0.00 41.96 39.56 1rm9 s TYR 106 CO -0.01 -0.09 -0.11 0.15 -1.57 0.00 0.00 175.55 173.92 1rm9 s LYS 107 N 0.60 2.48 0.14 -0.62 1.02 -0.49 0.80 119.74 123.67 1rm9 s LYS 107 Ca -0.01 -1.19 0.11 0.00 0.02 0.00 0.00 55.97 54.89 1rm9 s LYS 107 Cb -0.14 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 1rm9 s LYS 107 CO 0.02 -0.48 -0.25 0.95 -0.92 0.00 0.00 175.35 174.67 1rm9 s THR 108 N 1.18 2.22 -0.15 2.17 -4.23 -0.50 -1.09 115.64 115.24 1rm9 s THR 108 Ca -0.05 -1.82 -0.04 0.00 -1.18 0.00 0.00 61.69 58.61 1rm9 s THR 108 Cb -0.18 -1.99 0.07 0.00 1.34 0.00 0.00 72.50 71.74 1rm9 s THR 108 CO -0.06 0.01 0.17 -0.60 -0.54 0.00 0.00 174.62 173.60 1rm9 s ARG 109 N -2.22 0.11 0.31 3.99 3.52 -0.77 -1.27 118.95 122.62 1rm9 s ARG 109 Ca 0.15 0.28 0.11 0.00 -0.13 0.00 0.00 55.73 56.13 1rm9 s ARG 109 Cb -0.09 -1.00 -0.06 0.00 -1.56 0.00 0.00 34.95 32.24 1rm9 s ARG 109 CO 0.07 -0.53 -0.15 0.00 -0.81 0.00 0.00 175.30 173.88 1rm9 s ALA 110 N 2.28 2.83 -0.21 6.12 0.00 0.64 -1.30 121.76 132.12 1rm9 s ALA 110 Ca 0.05 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 50.02 1rm9 s ALA 110 Cb -0.14 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 22.88 1rm9 s ALA 110 CO -0.09 0.17 -0.05 -1.21 0.00 0.00 0.00 175.76 174.58 1rm9 s GLU 111 N -3.56 1.53 -0.25 0.00 2.02 -0.71 -0.84 118.70 116.89 1rm9 s GLU 111 Ca 0.31 -0.79 -0.09 0.00 0.02 0.00 0.00 54.97 54.42 1rm9 s GLU 111 Cb -0.01 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 1rm9 s GLU 111 CO 0.16 -0.54 0.13 0.08 0.02 0.00 0.00 175.26 175.11 1rm9 s VAL 112 N 1.51 4.93 0.26 2.63 1.01 -0.43 -2.02 120.40 128.27 1rm9 s VAL 112 Ca -0.03 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.77 1rm9 s VAL 112 Cb -0.17 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 32.93 1rm9 s VAL 112 CO -0.07 0.33 0.71 -1.59 0.00 0.00 0.00 175.10 174.47 1rm9 s LYS 113 N 1.36 1.69 0.01 2.72 -2.85 0.42 -0.48 119.74 122.62 1rm9 s LYS 113 Ca 0.06 -0.90 -0.16 0.00 -1.00 0.00 0.00 55.97 53.98 1rm9 s LYS 113 Cb -0.15 0.60 -0.06 0.00 -2.06 0.00 0.00 37.83 36.17 1rm9 s LYS 113 CO 0.06 -0.77 0.43 -0.06 0.10 0.00 0.00 175.35 175.11 1rm9 s PHE 114 N -3.88 3.74 -0.55 1.78 0.08 -0.82 0.79 117.98 119.11 1rm9 s PHE 114 Ca 0.09 1.03 0.04 0.00 0.12 0.00 0.00 56.93 58.22 1rm9 s PHE 114 Cb -0.05 -2.33 0.16 0.00 -0.57 0.00 0.00 43.02 40.23 1rm9 s PHE 114 CO 0.04 0.62 0.37 -1.21 -0.10 0.00 0.00 175.22 174.94 1rm9 s GLU 115 N -1.03 1.78 5.07 0.44 0.41 0.11 -4.92 118.70 120.57 1rm9 s GLU 115 Ca 0.25 -2.66 0.00 0.00 -0.41 0.00 0.00 54.97 52.15 1rm9 s GLU 115 Cb -0.17 -2.71 0.00 0.00 -1.78 0.00 0.00 34.13 29.47 1rm9 s GLU 115 CO 0.14 -1.26 0.00 0.41 -0.49 0.00 0.00 175.26 174.07 1rm9 n GLY 116 N 2.69 1.67 0.64 -1.39 0.00 -1.26 -2.94 105.19 104.60 1rm9 n GLY 116 Ca 0.17 -0.56 0.06 0.00 0.00 0.00 0.00 46.02 45.69 1rm9 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rm9 n ASP 117 N 6.90 3.01 -4.37 1.61 8.00 -1.26 -4.97 116.55 125.48 1rm9 n ASP 117 Ca 0.00 -2.14 -0.34 0.00 0.71 0.00 0.00 54.79 53.02 1rm9 n ASP 117 Cb 0.00 -0.26 -0.14 0.00 -0.02 0.00 0.00 41.12 40.70 1rm9 n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1rm9 s THR 118 N -1.25 3.31 -0.16 -3.53 2.01 -1.15 -4.17 115.64 110.70 1rm9 s THR 118 Ca 0.25 -0.54 -0.29 0.00 0.31 0.00 0.00 61.69 61.41 1rm9 s THR 118 Cb 0.15 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 1rm9 s THR 118 CO 0.14 0.48 1.09 -0.22 -0.69 0.00 0.00 174.62 175.42 1rm9 s LEU 119 N 0.82 4.18 0.07 4.42 1.98 -0.18 -0.71 118.68 129.25 1rm9 s LEU 119 Ca -0.03 1.53 0.06 0.00 -2.89 0.00 0.00 54.13 52.81 1rm9 s LEU 119 Cb -0.15 -3.55 -0.04 0.00 0.66 0.00 0.00 46.19 43.12 1rm9 s LEU 119 CO 0.01 -0.61 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.06 1rm9 s VAL 120 N 2.80 3.28 -0.36 1.68 1.01 0.24 -0.86 120.40 128.18 1rm9 s VAL 120 Ca 0.49 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1rm9 s VAL 120 Cb -0.18 -2.49 0.14 0.00 0.00 0.00 0.00 36.38 33.86 1rm9 s VAL 120 CO 0.13 0.21 0.24 0.21 0.00 0.00 0.00 175.10 175.88 1rm9 s ASN 121 N -1.91 2.64 -0.47 3.32 2.47 -0.43 -0.44 114.94 120.12 1rm9 s ASN 121 Ca 0.19 -2.24 -0.23 0.00 0.42 0.00 0.00 52.86 50.99 1rm9 s ASN 121 Cb -0.11 -0.32 0.03 0.00 -1.45 0.00 0.00 41.25 39.40 1rm9 s ASN 121 CO 0.11 -0.29 0.82 -0.13 -3.72 0.00 0.00 177.10 173.89 1rm9 s ARG 122 N 0.98 3.40 0.12 0.43 0.52 -0.86 -2.58 118.95 120.97 1rm9 s ARG 122 Ca 0.20 -0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.30 1rm9 s ARG 122 Cb -0.19 -3.96 -0.04 0.00 0.52 0.00 0.00 34.95 31.28 1rm9 s ARG 122 CO -0.02 -1.19 0.19 0.42 0.02 0.00 0.00 175.30 174.72 1rm9 s ILE 123 N 3.42 4.98 -0.23 1.52 1.01 0.78 -1.74 121.20 130.94 1rm9 s ILE 123 Ca 0.30 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 1rm9 s ILE 123 Cb -0.12 -3.50 0.07 0.00 0.01 0.00 0.00 42.46 38.92 1rm9 s ILE 123 CO 0.22 -0.01 0.05 -0.70 0.00 0.00 0.00 174.94 174.50 1rm9 s GLU 124 N -2.90 0.71 -0.11 2.79 2.12 -0.42 -2.32 118.70 118.57 1rm9 s GLU 124 Ca 0.33 -0.64 -0.01 0.00 0.36 0.00 0.00 54.97 55.01 1rm9 s GLU 124 Cb -0.11 -2.06 -0.03 0.00 0.26 0.00 0.00 34.13 32.19 1rm9 s GLU 124 CO 0.26 -0.75 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.00 1rm9 s LEU 125 N 1.78 3.15 -0.17 2.70 0.20 0.73 -1.84 118.68 125.23 1rm9 s LEU 125 Ca 0.02 -0.11 0.00 0.00 0.69 0.00 0.00 54.13 54.74 1rm9 s LEU 125 Cb -0.17 -1.72 0.03 0.00 -0.43 0.00 0.00 46.19 43.90 1rm9 s LEU 125 CO -0.14 0.25 -0.11 -0.75 -0.29 0.00 0.00 176.35 175.32 1rm9 s LYS 126 N -0.15 2.03 -0.10 1.98 2.47 -0.25 -1.20 119.74 124.52 1rm9 s LYS 126 Ca 0.02 -0.68 0.02 0.00 -1.56 0.00 0.00 55.97 53.77 1rm9 s LYS 126 Cb -0.13 -2.22 -0.02 0.00 -1.46 0.00 0.00 37.83 34.00 1rm9 s LYS 126 CO 0.03 -0.36 -0.16 0.20 0.16 0.00 0.00 175.35 175.22 1rm9 s GLY 127 N 1.47 1.49 0.07 5.54 0.00 0.32 -1.40 107.32 114.81 1rm9 s GLY 127 Ca 0.01 -0.94 -0.09 0.00 0.00 0.00 0.00 44.72 43.71 1rm9 s GLY 127 CO -0.09 -0.41 0.18 -0.26 0.00 0.00 0.00 173.10 172.52 1rm9 s ILE 128 N 0.00 0.14 0.00 0.90 -4.36 -1.02 0.01 121.20 116.87 1rm9 s ILE 128 Ca -0.05 -1.12 0.00 0.00 -0.26 0.00 0.00 60.65 59.22 1rm9 s ILE 128 Cb -0.14 -1.21 0.00 0.00 1.25 0.00 0.00 42.46 42.35 1rm9 s ILE 128 CO 0.04 -0.62 0.00 0.47 0.24 0.00 0.00 174.94 175.08 1rm9 n ASP 129 N 0.18 -2.92 -4.76 4.36 8.00 -1.26 -1.74 116.55 118.39 1rm9 n ASP 129 Ca -0.16 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.95 1rm9 n ASP 129 Cb 0.61 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 1rm9 n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1rm9 s PHE 130 N -2.00 3.72 -0.16 1.24 0.40 -1.26 -2.64 117.98 117.28 1rm9 s PHE 130 Ca 0.00 1.80 -0.29 0.00 -0.60 0.00 0.00 56.93 57.84 1rm9 s PHE 130 Cb 0.00 -3.05 -0.00 0.00 0.51 0.00 0.00 43.02 40.48 1rm9 s PHE 130 CO 0.00 0.04 1.04 0.15 0.70 0.00 0.00 175.22 177.14 1rm9 s LYS 131 N -1.66 4.34 0.43 0.44 1.02 -1.26 -4.85 119.74 118.20 1rm9 s LYS 131 Ca 0.47 1.40 0.27 0.00 0.02 0.00 0.00 55.97 58.12 1rm9 s LYS 131 Cb -0.25 -3.59 1.33 0.00 -0.52 0.00 0.00 37.83 34.80 1rm9 s LYS 131 CO 0.31 -0.48 1.67 1.05 -0.92 0.00 0.00 175.35 176.98 1rm9 h GLU 132 N 7.31 0.16 -0.34 1.68 -0.00 -1.95 0.49 114.58 121.93 1rm9 h GLU 132 Ca -0.25 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.10 1rm9 h GLU 132 Cb 1.11 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 29.82 1rm9 h GLU 132 CO 0.92 0.11 0.00 -0.40 -0.00 0.00 0.00 179.01 179.64 1rm9 n ASP 133 N -4.68 4.05 -2.73 3.06 5.75 -1.26 -4.09 116.55 116.66 1rm9 n ASP 133 Ca 0.34 -2.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.28 1rm9 n ASP 133 Cb 1.27 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 1rm9 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rm9 n GLY 134 N -0.13 -2.64 0.23 6.12 0.00 0.17 -4.62 105.19 104.32 1rm9 n GLY 134 Ca 0.21 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 44.95 1rm9 n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1rm9 h ASN 135 N -1.03 0.00 0.00 1.61 2.35 -1.94 -1.87 115.58 114.70 1rm9 h ASN 135 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1rm9 h ASN 135 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1rm9 h ASN 135 CO 0.00 0.10 -0.09 0.40 -1.65 0.00 0.00 177.43 176.19 1rm9 h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.91 -1.71 117.51 121.73 1rm9 h ILE 136 Ca -0.00 -0.22 0.00 0.00 -0.12 0.00 0.00 64.86 64.52 1rm9 h ILE 136 Cb 0.82 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.61 1rm9 h ILE 136 CO 0.01 0.00 0.00 0.18 -0.68 0.00 0.00 178.15 177.66 1rm9 n LEU 137 N -2.75 0.36 -0.35 1.44 4.77 -1.26 -0.87 117.00 118.34 1rm9 n LEU 137 Ca -0.01 0.64 0.12 0.00 -0.03 0.00 0.00 56.01 56.73 1rm9 n LEU 137 Cb 0.05 -0.66 0.14 0.00 -2.33 0.00 0.00 43.42 40.62 1rm9 n LEU 137 CO 0.02 -0.68 0.42 0.61 -1.33 0.00 0.00 177.39 176.43 1rm9 n GLY 138 N -0.99 -0.33 3.27 -0.72 0.00 -0.70 -4.86 105.19 100.85 1rm9 n GLY 138 Ca 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 1rm9 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rm9 n HIS 139 N -0.42 -2.77 -0.39 1.61 8.25 -0.05 -4.94 115.22 116.51 1rm9 n HIS 139 Ca 0.10 1.09 0.00 0.00 -0.26 0.00 0.00 57.72 58.64 1rm9 n HIS 139 Cb 0.41 -3.60 0.00 0.00 1.12 0.00 0.00 29.99 27.92 1rm9 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1rm9 n LYS 140 N -1.75 0.57 -3.23 -0.41 5.02 -0.65 -5.04 118.16 112.67 1rm9 n LYS 140 Ca -0.08 -0.69 -0.39 0.00 -2.02 0.00 0.00 58.31 55.13 1rm9 n LYS 140 Cb 0.56 -0.80 -0.06 0.00 -0.02 0.00 0.00 35.03 34.71 1rm9 n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rm9 s LEU 141 N -0.29 4.34 0.48 -0.35 1.43 -1.25 0.14 118.68 123.17 1rm9 s LEU 141 Ca 0.00 1.02 -0.23 0.00 -1.03 0.00 0.00 54.13 53.88 1rm9 s LEU 141 Cb 0.00 -2.85 -0.07 0.00 0.03 0.00 0.00 46.19 43.31 1rm9 s LEU 141 CO 0.00 0.02 1.26 -1.61 0.23 0.00 0.00 176.35 176.26 1rm9 s GLU 142 N 0.31 3.59 -0.72 1.70 2.02 0.13 -4.86 118.70 120.87 1rm9 s GLU 142 Ca 0.30 2.02 -0.08 0.00 0.02 0.00 0.00 54.97 57.24 1rm9 s GLU 142 Cb -0.17 -2.44 0.19 0.00 0.10 0.00 0.00 34.13 31.81 1rm9 s GLU 142 CO 0.14 -0.76 0.59 -0.47 0.02 0.00 0.00 175.26 174.79 1rm9 s TYR 143 N -1.40 3.56 0.00 1.61 5.04 -1.26 -4.78 117.35 120.13 1rm9 s TYR 143 Ca 0.65 -2.41 0.00 0.00 -2.44 0.00 0.00 57.07 52.87 1rm9 s TYR 143 Cb -0.35 -3.47 0.00 0.00 0.35 0.00 0.00 41.96 38.49 1rm9 s TYR 143 CO 0.43 -0.90 0.00 0.27 -1.34 0.00 0.00 175.55 174.00 1rm9 n ASN 144 N 3.66 0.00 -3.81 4.32 0.23 -1.26 -4.93 115.26 113.47 1rm9 n ASN 144 Ca 0.11 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 54.03 1rm9 n ASN 144 Cb 0.42 0.04 -0.13 0.00 -2.08 0.00 0.00 39.78 38.03 1rm9 n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1rm9 s TYR 145 N -0.27 -0.18 -0.08 -2.53 5.04 -1.26 -1.99 117.35 116.08 1rm9 s TYR 145 Ca 0.00 0.44 0.03 0.00 -2.44 0.00 0.00 57.07 55.10 1rm9 s TYR 145 Cb 0.00 0.05 0.01 0.00 0.35 0.00 0.00 41.96 42.37 1rm9 s TYR 145 CO 0.00 -0.09 -0.16 0.42 -1.34 0.00 0.00 175.55 174.37 1rm9 s ILE 146 N 0.16 1.46 -0.28 3.14 1.01 -0.90 -4.97 121.20 120.83 1rm9 s ILE 146 Ca -0.01 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 1rm9 s ILE 146 Cb -0.02 -1.30 0.16 0.00 0.01 0.00 0.00 42.46 41.31 1rm9 s ILE 146 CO -0.00 0.43 0.51 -0.55 0.00 0.00 0.00 174.94 175.33 1rm9 s SER 147 N 0.54 -0.72 0.33 3.58 0.15 -1.26 0.61 113.70 116.93 1rm9 s SER 147 Ca -0.16 0.65 0.01 0.00 0.70 0.00 0.00 55.95 57.16 1rm9 s SER 147 Cb -0.17 1.75 -0.01 0.00 -1.71 0.00 0.00 66.02 65.88 1rm9 s SER 147 CO 0.06 -0.27 0.38 -1.00 1.20 0.00 0.00 173.24 173.60 1rm9 s HIS 148 N 2.73 1.34 -0.11 3.44 3.76 -0.89 -5.00 115.29 120.57 1rm9 s HIS 148 Ca 0.16 -1.44 -0.03 0.00 -0.15 0.00 0.00 55.06 53.60 1rm9 s HIS 148 Cb -0.15 -0.35 -0.03 0.00 1.11 0.00 0.00 32.58 33.15 1rm9 s HIS 148 CO -0.19 -1.01 0.01 -0.80 -0.85 0.00 0.00 174.74 171.91 1rm9 s ASN 149 N -3.29 5.29 -0.45 1.40 0.01 -1.26 -1.83 114.94 114.81 1rm9 s ASN 149 Ca 0.35 0.12 -0.16 0.00 -0.71 0.00 0.00 52.86 52.46 1rm9 s ASN 149 Cb 0.01 -1.61 0.05 0.00 0.41 0.00 0.00 41.25 40.11 1rm9 s ASN 149 CO 0.23 0.33 0.39 -0.69 -1.51 0.00 0.00 177.10 175.84 1rm9 s VAL 150 N -0.57 5.20 -0.33 1.60 1.01 0.08 -4.70 120.40 122.70 1rm9 s VAL 150 Ca 0.10 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 1rm9 s VAL 150 Cb -0.12 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1rm9 s VAL 150 CO 0.02 -0.51 0.80 -0.31 0.00 0.00 0.00 175.10 175.10 1rm9 s TYR 151 N 1.76 3.16 0.05 5.22 1.51 -1.19 0.31 117.35 128.18 1rm9 s TYR 151 Ca 0.06 0.72 0.00 0.00 -1.01 0.00 0.00 57.07 56.84 1rm9 s TYR 151 Cb -0.22 -3.31 -0.04 0.00 -0.11 0.00 0.00 41.96 38.28 1rm9 s TYR 151 CO 0.08 -0.64 0.16 0.42 -1.11 0.00 0.00 175.55 174.46 1rm9 s ILE 152 N 3.04 5.08 0.01 2.71 1.01 0.13 -2.31 121.20 130.87 1rm9 s ILE 152 Ca 0.32 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 1rm9 s ILE 152 Cb -0.14 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 1rm9 s ILE 152 CO 0.14 0.18 0.04 -0.89 0.00 0.00 0.00 174.94 174.42 1rm9 s THR 153 N -1.42 0.08 0.51 2.92 2.01 0.12 -3.01 115.64 116.85 1rm9 s THR 153 Ca 0.31 -0.65 -0.20 0.00 0.31 0.00 0.00 61.69 61.47 1rm9 s THR 153 Cb -0.13 -0.28 -0.07 0.00 0.01 0.00 0.00 72.50 72.03 1rm9 s THR 153 CO 0.24 -0.36 1.07 0.00 -0.69 0.00 0.00 174.62 174.88 1rm9 s ALA 154 N -1.12 2.81 -0.50 7.40 0.00 -1.25 -0.14 121.76 128.97 1rm9 s ALA 154 Ca -0.12 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.54 1rm9 s ALA 154 Cb -0.07 -3.29 0.17 0.00 0.00 0.00 0.00 23.12 19.93 1rm9 s ALA 154 CO 0.00 -0.48 0.37 0.34 0.00 0.00 0.00 175.76 175.99 1rm9 s ASP 155 N -1.95 2.68 0.49 0.00 -1.08 -0.58 -4.67 116.67 111.57 1rm9 s ASP 155 Ca 0.69 -3.21 0.16 0.00 -0.52 0.00 0.00 52.55 49.66 1rm9 s ASP 155 Cb -0.19 -0.83 1.18 0.00 -1.46 0.00 0.00 42.92 41.62 1rm9 s ASP 155 CO 0.23 -0.16 2.09 0.07 0.52 0.00 0.00 175.17 177.92 1rm9 h LYS 156 N 5.73 0.00 0.80 4.34 2.10 -1.94 0.32 116.57 127.92 1rm9 h LYS 156 Ca 0.20 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.81 1rm9 h LYS 156 Cb 0.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 1rm9 h LYS 156 CO 0.48 0.07 -0.42 -0.56 -2.00 0.00 0.00 179.45 177.02 1rm9 h GLN 157 N 0.00 -1.07 -0.04 0.07 3.07 -1.95 -2.47 115.11 112.72 1rm9 h GLN 157 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.81 1rm9 h GLN 157 Cb 0.12 0.24 0.00 0.00 0.08 0.00 0.00 27.48 27.92 1rm9 h GLN 157 CO 0.01 -0.71 0.00 0.36 0.09 0.00 0.00 178.83 178.58 1rm9 n LYS 158 N -5.09 1.13 -3.86 0.06 0.00 -1.15 -4.89 118.16 104.36 1rm9 n LYS 158 Ca -0.14 -0.19 -0.28 0.00 -0.00 0.00 0.00 58.31 57.70 1rm9 n LYS 158 Cb 0.45 -1.19 0.03 0.00 -0.00 0.00 0.00 35.03 34.31 1rm9 n LYS 158 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1rm9 n ASN 159 N -0.48 -4.25 0.00 -5.58 5.15 0.18 -4.68 115.26 105.60 1rm9 n ASN 159 Ca 0.09 -0.77 0.00 0.00 -0.60 0.00 0.00 54.58 53.29 1rm9 n ASN 159 Cb 0.08 -3.98 0.00 0.00 -0.53 0.00 0.00 39.78 35.35 1rm9 n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rm9 n GLY 160 N -1.70 4.62 3.45 8.20 0.00 0.89 -4.48 105.19 116.17 1rm9 n GLY 160 Ca -0.02 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 1rm9 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rm9 s ILE 161 N 3.33 0.01 0.01 -0.61 -4.36 -1.02 -1.53 121.20 117.04 1rm9 s ILE 161 Ca 0.00 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 58.85 1rm9 s ILE 161 Cb 0.00 -2.21 -0.01 0.00 1.25 0.00 0.00 42.46 41.49 1rm9 s ILE 161 CO 0.00 -0.05 -0.02 -0.54 0.24 0.00 0.00 174.94 174.57 1rm9 s LYS 162 N -4.04 0.19 -0.02 0.37 1.02 0.81 -2.30 119.74 115.76 1rm9 s LYS 162 Ca 0.26 -0.27 -0.13 0.00 0.02 0.00 0.00 55.97 55.84 1rm9 s LYS 162 Cb 0.02 -0.03 0.02 0.00 -0.52 0.00 0.00 37.83 37.32 1rm9 s LYS 162 CO 0.08 0.00 0.29 0.00 -0.92 0.00 0.00 175.35 174.80 1rm9 s ALA 163 N -0.59 -0.72 -0.02 5.17 0.00 -0.97 0.11 121.76 124.75 1rm9 s ALA 163 Ca -0.06 0.30 -0.08 0.00 0.00 0.00 0.00 51.96 52.13 1rm9 s ALA 163 Cb -0.04 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1rm9 s ALA 163 CO -0.00 -0.24 0.17 0.54 0.00 0.00 0.00 175.76 176.22 1rm9 s ASN 164 N -1.22 -0.05 0.14 0.00 4.22 -0.98 0.72 114.94 117.78 1rm9 s ASN 164 Ca -0.13 -0.03 -0.25 0.00 -2.14 0.00 0.00 52.86 50.32 1rm9 s ASN 164 Cb -0.05 0.26 0.07 0.00 1.28 0.00 0.00 41.25 42.81 1rm9 s ASN 164 CO 0.04 -0.30 0.81 0.72 -2.04 0.00 0.00 177.10 176.33 1rm9 s PHE 165 N -0.98 -0.29 -0.17 1.54 -0.71 -1.04 -3.16 117.98 113.17 1rm9 s PHE 165 Ca -0.11 0.03 -0.02 0.00 -1.04 0.00 0.00 56.93 55.79 1rm9 s PHE 165 Cb -0.06 0.61 -0.01 0.00 -1.21 0.00 0.00 43.02 42.35 1rm9 s PHE 165 CO 0.01 -0.84 -0.09 0.15 -1.34 0.00 0.00 175.22 173.12 1rm9 s LYS 166 N -3.47 3.40 -0.25 1.99 1.02 -1.26 -0.60 119.74 120.57 1rm9 s LYS 166 Ca 0.07 -0.65 -0.09 0.00 0.02 0.00 0.00 55.97 55.33 1rm9 s LYS 166 Cb -0.02 -2.81 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 1rm9 s LYS 166 CO -0.03 0.04 0.13 0.42 -0.92 0.00 0.00 175.35 174.98 1rm9 s ILE 167 N 0.82 4.93 -0.51 2.17 -1.09 -0.52 -4.87 121.20 122.13 1rm9 s ILE 167 Ca -0.03 0.03 -0.10 0.00 -2.23 0.00 0.00 60.65 58.32 1rm9 s ILE 167 Cb -0.15 -3.31 0.13 0.00 -1.58 0.00 0.00 42.46 37.55 1rm9 s ILE 167 CO 0.01 0.33 0.40 -0.13 -1.23 0.00 0.00 174.94 174.32 1rm9 s ARG 168 N 1.36 2.64 -0.26 2.79 0.52 -1.26 -0.19 118.95 124.54 1rm9 s ARG 168 Ca 0.06 -1.83 -0.24 0.00 -0.52 0.00 0.00 55.73 53.19 1rm9 s ARG 168 Cb -0.15 -4.01 -0.00 0.00 0.52 0.00 0.00 34.95 31.31 1rm9 s ARG 168 CO 0.06 -1.22 0.82 -1.01 0.02 0.00 0.00 175.30 173.97 1rm9 s HIS 169 N 1.27 3.28 0.09 -0.53 3.76 -0.99 -4.87 115.29 117.30 1rm9 s HIS 169 Ca 0.06 1.05 -0.30 0.00 -0.15 0.00 0.00 55.06 55.73 1rm9 s HIS 169 Cb -0.26 -3.11 -0.06 0.00 1.11 0.00 0.00 32.58 30.27 1rm9 s HIS 169 CO -0.01 -0.45 1.11 -0.80 -0.85 0.00 0.00 174.74 173.75 1rm9 s ASN 170 N 1.42 7.21 0.57 1.40 -0.87 -1.26 0.10 114.94 123.52 1rm9 s ASN 170 Ca 0.34 1.97 -0.06 0.00 -1.57 0.00 0.00 52.86 53.54 1rm9 s ASN 170 Cb -0.15 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 38.50 1rm9 s ASN 170 CO 0.09 -0.33 0.88 -0.63 -2.57 0.00 0.00 177.10 174.54 1rm9 s ILE 171 N 0.57 3.82 0.29 0.60 1.01 -0.76 0.19 121.20 126.91 1rm9 s ILE 171 Ca 0.54 0.02 -0.00 0.00 0.00 0.00 0.00 60.65 61.20 1rm9 s ILE 171 Cb -0.28 -3.50 0.16 0.00 0.01 0.00 0.00 42.46 38.85 1rm9 s ILE 171 CO 0.31 -0.51 1.84 1.05 0.00 0.00 0.00 174.94 177.62 1rm9 h GLU 172 N -0.11 0.78 0.00 2.79 4.11 -0.64 -2.43 114.58 119.08 1rm9 h GLU 172 Ca -0.46 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 58.82 1rm9 h GLU 172 Cb 1.25 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1rm9 h GLU 172 CO 0.61 0.71 0.00 -0.40 0.07 0.00 0.00 179.01 180.00 1rm9 n ASP 173 N -4.28 0.00 0.00 3.06 5.75 -1.26 -4.79 116.55 115.03 1rm9 n ASP 173 Ca 0.04 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 1rm9 n ASP 173 Cb 0.22 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1rm9 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rm9 n GLY 174 N 0.15 0.85 0.00 6.12 0.00 -0.91 -5.04 105.19 106.36 1rm9 n GLY 174 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rm9 n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rm9 n SER 175 N 0.00 0.00 -3.86 1.61 2.88 -1.25 -4.78 113.62 108.22 1rm9 n SER 175 Ca 0.00 -0.11 -0.15 0.00 -1.33 0.00 0.00 58.87 57.28 1rm9 n SER 175 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1rm9 n SER 175 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1rm9 s VAL 176 N 0.04 0.14 -0.50 2.46 1.01 -1.26 -1.83 120.40 120.46 1rm9 s VAL 176 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 1rm9 s VAL 176 Cb 0.00 -0.17 0.13 0.00 0.00 0.00 0.00 36.38 36.34 1rm9 s VAL 176 CO 0.00 0.08 0.31 -1.58 0.00 0.00 0.00 175.10 173.91 1rm9 s GLN 177 N 0.42 2.26 0.25 2.72 2.00 0.29 -4.88 119.66 122.72 1rm9 s GLN 177 Ca -0.04 -2.08 -0.30 0.00 -2.00 0.00 0.00 55.36 50.95 1rm9 s GLN 177 Cb -0.06 -3.68 -0.10 0.00 0.80 0.00 0.00 33.01 29.98 1rm9 s GLN 177 CO -0.01 -1.12 1.35 -1.17 -0.50 0.00 0.00 175.29 173.84 1rm9 s LEU 178 N 0.72 4.41 -0.30 3.68 2.96 -1.26 -2.33 118.68 126.56 1rm9 s LEU 178 Ca 0.11 2.56 -0.02 0.00 -0.22 0.00 0.00 54.13 56.57 1rm9 s LEU 178 Cb -0.22 -3.62 0.10 0.00 0.50 0.00 0.00 46.19 42.94 1rm9 s LEU 178 CO -0.04 -0.58 0.10 0.00 -1.32 0.00 0.00 176.35 174.52 1rm9 s ALA 179 N -0.28 1.21 -0.03 5.97 0.00 0.73 -0.60 121.76 128.76 1rm9 s ALA 179 Ca 0.55 -1.42 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 1rm9 s ALA 179 Cb -0.39 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1rm9 s ALA 179 CO 0.44 -1.63 1.32 -0.51 0.00 0.00 0.00 175.76 175.38 1rm9 s ASP 180 N 1.79 6.93 -0.09 0.00 1.01 0.34 -1.44 116.67 125.21 1rm9 s ASP 180 Ca 0.09 1.98 -0.03 0.00 0.71 0.00 0.00 52.55 55.31 1rm9 s ASP 180 Cb -0.17 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.17 1rm9 s ASP 180 CO -0.28 -0.67 0.02 -1.00 0.21 0.00 0.00 175.17 173.46 1rm9 s HIS 181 N 2.35 3.23 -0.20 4.23 3.76 0.23 0.00 115.29 128.89 1rm9 s HIS 181 Ca 0.60 0.24 -0.01 0.00 -0.15 0.00 0.00 55.06 55.74 1rm9 s HIS 181 Cb -0.28 -1.81 0.06 0.00 1.11 0.00 0.00 32.58 31.65 1rm9 s HIS 181 CO 0.24 0.50 -0.02 0.71 -0.85 0.00 0.00 174.74 175.33 1rm9 s TYR 182 N -0.88 1.70 0.12 1.40 2.02 -0.96 -2.49 117.35 118.26 1rm9 s TYR 182 Ca 0.13 -1.24 0.04 0.00 -0.37 0.00 0.00 57.07 55.63 1rm9 s TYR 182 Cb -0.11 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 1rm9 s TYR 182 CO 0.03 -0.67 0.13 -1.14 -1.57 0.00 0.00 175.55 172.32 1rm9 s GLN 183 N 1.63 2.97 -0.27 -0.62 0.74 0.22 -1.54 119.66 122.79 1rm9 s GLN 183 Ca -0.02 -0.74 0.00 0.00 0.05 0.00 0.00 55.36 54.65 1rm9 s GLN 183 Cb -0.17 -2.73 0.16 0.00 1.10 0.00 0.00 33.01 31.36 1rm9 s GLN 183 CO -0.07 0.53 0.44 -1.14 -0.55 0.00 0.00 175.29 174.50 1rm9 s GLN 184 N -2.76 0.43 -0.12 1.67 0.74 0.53 -2.29 119.66 117.85 1rm9 s GLN 184 Ca 0.31 0.45 -0.05 0.00 0.05 0.00 0.00 55.36 56.11 1rm9 s GLN 184 Cb -0.11 -0.19 -0.04 0.00 1.10 0.00 0.00 33.01 33.77 1rm9 s GLN 184 CO 0.24 -0.83 0.06 -0.80 -0.55 0.00 0.00 175.29 173.41 1rm9 s ASN 185 N 2.62 5.72 -0.01 6.67 -0.87 -0.97 -0.64 114.94 127.45 1rm9 s ASN 185 Ca 0.12 0.23 0.00 0.00 -1.57 0.00 0.00 52.86 51.65 1rm9 s ASN 185 Cb -0.14 -1.81 0.01 0.00 -0.02 0.00 0.00 41.25 39.30 1rm9 s ASN 185 CO -0.23 0.33 -0.00 -0.89 -2.57 0.00 0.00 177.10 173.74 1rm9 s THR 186 N -0.58 0.11 0.05 1.60 2.01 0.98 -2.43 115.64 117.39 1rm9 s THR 186 Ca 0.11 0.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.84 1rm9 s THR 186 Cb -0.12 -0.16 -0.07 0.00 0.01 0.00 0.00 72.50 72.17 1rm9 s THR 186 CO 0.02 0.08 1.42 -2.16 -0.69 0.00 0.00 174.62 173.29 1rm9 s PRO 187 N 0.51 4.29 0.03 4.92 0.04 -1.26 0.17 135.00 143.70 1rm9 s PRO 187 Ca -0.05 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.79 1rm9 s PRO 187 Cb -0.07 -3.44 -0.18 0.00 0.04 0.00 0.00 34.50 30.85 1rm9 s PRO 187 CO -0.01 -0.53 1.45 0.82 0.04 0.00 0.00 177.00 178.76 1rm9 h ILE 188 N 4.63 1.13 -4.21 0.56 2.04 -1.66 -3.44 117.51 116.57 1rm9 h ILE 188 Ca -0.40 -0.63 -0.48 0.00 1.00 0.00 0.00 64.86 64.35 1rm9 h ILE 188 Cb 1.19 1.54 0.13 0.00 -0.74 0.00 0.00 36.82 38.94 1rm9 h ILE 188 CO 0.89 0.16 0.30 -0.83 0.00 0.00 0.00 178.15 178.67 1rm9 s GLY 189 N -2.73 1.62 -0.70 5.37 0.00 -1.25 -4.97 107.32 104.66 1rm9 s GLY 189 Ca -0.15 -0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.42 1rm9 s GLY 189 CO 0.65 0.29 1.70 2.09 0.00 0.00 0.00 173.10 177.83 1rm9 n ASP 190 N -3.61 6.53 -4.88 1.64 5.75 -1.26 -5.00 116.55 115.71 1rm9 n ASP 190 Ca 0.07 -3.80 -0.27 0.00 -0.01 0.00 0.00 54.79 50.78 1rm9 n ASP 190 Cb 0.56 -0.85 -0.02 0.00 -1.03 0.00 0.00 41.12 39.78 1rm9 n ASP 190 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1rm9 s GLY 191 N -1.99 2.49 -0.11 6.12 0.00 -1.26 -5.08 107.32 107.50 1rm9 s GLY 191 Ca 0.51 -1.10 -0.30 0.00 0.00 0.00 0.00 44.72 43.83 1rm9 s GLY 191 CO -0.32 -1.99 1.25 2.56 0.00 0.00 0.00 173.10 174.60 1rm9 s PRO 192 N -4.21 4.29 0.21 2.90 0.04 -1.26 -5.02 135.00 131.94 1rm9 s PRO 192 Ca 0.29 1.69 0.09 0.00 0.04 0.00 0.00 61.00 63.10 1rm9 s PRO 192 Cb -0.02 -3.67 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 1rm9 s PRO 192 CO 0.18 -0.59 -0.04 0.14 0.04 0.00 0.00 177.00 176.73 1rm9 s VAL 193 N 2.88 3.42 -0.24 -0.36 -7.23 -1.26 -4.83 120.40 112.79 1rm9 s VAL 193 Ca 0.56 -1.69 -0.27 0.00 -1.81 0.00 0.00 61.98 58.77 1rm9 s VAL 193 Cb -0.24 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 33.95 1rm9 s VAL 193 CO 0.19 -0.21 0.93 -0.76 -0.31 0.00 0.00 175.10 174.93 1rm9 s LEU 194 N -3.17 4.08 -0.45 1.32 1.43 -1.26 -5.01 118.68 115.62 1rm9 s LEU 194 Ca 0.28 1.17 -0.19 0.00 -1.03 0.00 0.00 54.13 54.36 1rm9 s LEU 194 Cb -0.08 -3.35 0.03 0.00 0.03 0.00 0.00 46.19 42.82 1rm9 s LEU 194 CO 0.18 -0.60 0.57 -0.76 0.23 0.00 0.00 176.35 175.97 1rm9 s LEU 195 N 3.02 4.72 0.44 1.79 1.43 -1.26 -3.90 118.68 124.92 1rm9 s LEU 195 Ca 0.39 -0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 52.73 1rm9 s LEU 195 Cb -0.15 -2.56 -0.10 0.00 0.03 0.00 0.00 46.19 43.42 1rm9 s LEU 195 CO 0.07 -0.74 0.93 -2.16 0.23 0.00 0.00 176.35 174.69 1rm9 s PRO 196 N 2.55 4.11 0.87 1.29 0.04 -1.26 -4.92 135.00 137.68 1rm9 s PRO 196 Ca 0.17 1.01 -0.13 0.00 0.04 0.00 0.00 61.00 62.09 1rm9 s PRO 196 Cb -0.16 -2.20 0.12 0.00 0.04 0.00 0.00 34.50 32.30 1rm9 s PRO 196 CO 0.16 -0.08 1.22 -0.51 0.04 0.00 0.00 177.00 177.82 1rm9 s ASP 197 N -2.48 3.96 0.32 6.66 1.01 -1.26 -3.80 116.67 121.08 1rm9 s ASP 197 Ca 0.60 0.64 -0.29 0.00 0.71 0.00 0.00 52.55 54.21 1rm9 s ASP 197 Cb -0.09 -1.00 -0.12 0.00 1.01 0.00 0.00 42.92 42.71 1rm9 s ASP 197 CO 0.19 -2.24 1.37 0.59 0.21 0.00 0.00 175.17 175.29 1rm9 n ASN 198 N -3.51 3.02 -3.65 0.27 4.13 -1.26 -4.83 115.26 109.43 1rm9 n ASN 198 Ca 0.10 1.19 0.01 0.00 1.68 0.00 0.00 54.58 57.56 1rm9 n ASN 198 Cb 0.60 -1.51 0.00 0.00 -1.54 0.00 0.00 39.78 37.34 1rm9 n ASN 198 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 1rm9 s HIS 199 N -0.81 -0.02 0.19 3.10 -3.43 -1.16 -4.71 115.29 108.44 1rm9 s HIS 199 Ca 0.58 -0.13 -0.00 0.00 -0.80 0.00 0.00 55.06 54.71 1rm9 s HIS 199 Cb -0.56 0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 31.12 1rm9 s HIS 199 CO 0.59 -0.40 0.08 1.52 -2.00 0.00 0.00 174.74 174.53 1rm9 s TYR 200 N -2.40 1.16 -0.30 0.38 -0.85 -0.46 0.17 117.35 115.05 1rm9 s TYR 200 Ca 0.18 -1.23 -0.05 0.00 -0.52 0.00 0.00 57.07 55.45 1rm9 s TYR 200 Cb 0.02 -0.63 0.03 0.00 0.38 0.00 0.00 41.96 41.76 1rm9 s TYR 200 CO -0.02 -0.46 0.06 -0.51 -1.52 0.00 0.00 175.55 173.10 1rm9 s LEU 201 N -3.16 3.91 -0.84 -3.49 1.43 0.15 -1.71 118.68 114.96 1rm9 s LEU 201 Ca 0.32 -0.96 -0.25 0.00 -1.03 0.00 0.00 54.13 52.21 1rm9 s LEU 201 Cb 0.07 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.50 1rm9 s LEU 201 CO 0.08 -0.24 1.48 -0.55 0.23 0.00 0.00 176.35 177.35 1rm9 s SER 202 N 1.41 6.08 -0.05 2.29 0.15 -0.50 -0.74 113.70 122.33 1rm9 s SER 202 Ca -0.00 -0.75 -0.02 0.00 0.70 0.00 0.00 55.95 55.88 1rm9 s SER 202 Cb -0.18 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.53 1rm9 s SER 202 CO 0.01 -1.87 0.06 -0.89 1.20 0.00 0.00 173.24 171.75 1rm9 s THR 203 N 6.29 4.70 -0.07 6.45 2.01 -0.76 -2.73 115.64 131.52 1rm9 s THR 203 Ca 0.46 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 62.17 1rm9 s THR 203 Cb -0.05 -3.07 0.04 0.00 0.01 0.00 0.00 72.50 69.43 1rm9 s THR 203 CO 0.05 0.48 0.15 -1.10 -0.69 0.00 0.00 174.62 173.51 1rm9 s GLN 204 N -1.33 0.05 -0.05 4.92 -0.21 -0.80 -2.09 119.66 120.14 1rm9 s GLN 204 Ca 0.18 0.48 0.06 0.00 0.02 0.00 0.00 55.36 56.10 1rm9 s GLN 204 Cb -0.12 -0.24 -0.01 0.00 1.00 0.00 0.00 33.01 33.64 1rm9 s GLN 204 CO 0.08 -0.25 -0.24 -1.12 -2.12 0.00 0.00 175.29 171.64 1rm9 s SER 205 N 1.81 2.97 -0.37 5.90 0.01 0.20 -1.33 113.70 122.89 1rm9 s SER 205 Ca -0.02 -0.49 -0.06 0.00 1.31 0.00 0.00 55.95 56.68 1rm9 s SER 205 Cb -0.12 -0.77 0.06 0.00 0.21 0.00 0.00 66.02 65.40 1rm9 s SER 205 CO -0.06 0.24 0.15 0.00 0.41 0.00 0.00 173.24 173.98 1rm9 s ALA 206 N -0.19 3.10 0.18 1.44 0.00 -1.11 -2.11 121.76 123.08 1rm9 s ALA 206 Ca -0.02 -1.96 -0.19 0.00 0.00 0.00 0.00 51.96 49.79 1rm9 s ALA 206 Cb -0.13 -2.36 -0.08 0.00 0.00 0.00 0.00 23.12 20.55 1rm9 s ALA 206 CO 0.03 -1.47 0.67 -0.51 0.00 0.00 0.00 175.76 174.48 1rm9 s LEU 207 N 1.36 4.38 0.08 0.00 1.02 -0.84 -2.48 118.68 122.20 1rm9 s LEU 207 Ca 0.01 1.34 -0.26 0.00 0.02 0.00 0.00 54.13 55.24 1rm9 s LEU 207 Cb -0.21 -3.42 0.08 0.00 0.02 0.00 0.00 46.19 42.66 1rm9 s LEU 207 CO 0.01 0.09 0.67 -0.94 0.02 0.00 0.00 176.35 176.20 1rm9 s SER 208 N -1.57 -0.55 0.21 2.29 1.04 -0.08 -4.71 113.70 110.33 1rm9 s SER 208 Ca 0.40 0.16 0.04 0.00 0.48 0.00 0.00 55.95 57.04 1rm9 s SER 208 Cb -0.17 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 1rm9 s SER 208 CO 0.21 -0.83 0.32 -0.54 0.98 0.00 0.00 173.24 173.39 1rm9 s LYS 209 N -3.04 3.40 -0.33 4.02 -0.14 -1.26 0.60 119.74 123.00 1rm9 s LYS 209 Ca -0.01 -0.74 -0.14 0.00 -1.36 0.00 0.00 55.97 53.73 1rm9 s LYS 209 Cb -0.01 -2.89 -0.02 0.00 -1.68 0.00 0.00 37.83 33.24 1rm9 s LYS 209 CO -0.07 0.45 0.30 0.34 -0.76 0.00 0.00 175.35 175.61 1rm9 s ASP 210 N -3.75 6.12 0.54 2.83 -1.08 -1.26 -4.91 116.67 115.17 1rm9 s ASP 210 Ca 0.34 -0.21 0.24 0.00 -0.52 0.00 0.00 52.55 52.40 1rm9 s ASP 210 Cb -0.10 -2.17 1.30 0.00 -1.46 0.00 0.00 42.92 40.50 1rm9 s ASP 210 CO 0.28 -0.25 1.70 1.55 0.52 0.00 0.00 175.17 178.98 1rm9 h PRO 211 N 8.43 0.00 0.00 4.34 0.13 -2.04 -2.01 132.00 140.85 1rm9 h PRO 211 Ca -0.31 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.76 1rm9 h PRO 211 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1rm9 h PRO 211 CO 0.65 0.00 -1.74 0.09 -0.23 0.00 0.00 178.00 176.77 1rm9 n ASN 212 N -2.59 1.62 -4.69 1.44 3.02 -1.26 -4.96 115.26 107.84 1rm9 n ASN 212 Ca -0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.11 1rm9 n ASN 212 Cb 0.35 1.48 -0.03 0.00 -0.61 0.00 0.00 39.78 40.98 1rm9 n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1rm9 s GLU 213 N -2.87 4.28 0.00 3.52 2.56 -0.76 -4.89 118.70 120.54 1rm9 s GLU 213 Ca -0.06 1.98 0.24 0.00 0.00 0.00 0.00 54.97 57.13 1rm9 s GLU 213 Cb 0.08 -3.58 0.15 0.00 2.00 0.00 0.00 34.13 32.79 1rm9 s GLU 213 CO 0.60 -0.59 1.23 1.63 -0.56 0.00 0.00 175.26 177.58 1rm9 n LYS 214 N 5.41 2.12 -3.77 4.30 4.76 -1.26 -4.83 118.16 124.90 1rm9 n LYS 214 Ca 0.13 -1.76 -0.35 0.00 -2.87 0.00 0.00 58.31 53.47 1rm9 n LYS 214 Cb 0.43 -1.46 -0.05 0.00 -1.84 0.00 0.00 35.03 32.11 1rm9 n LYS 214 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1rm9 s ARG 215 N -2.09 3.58 -0.05 1.97 0.52 -1.26 -5.03 118.95 116.59 1rm9 s ARG 215 Ca 0.26 -0.07 -0.35 0.00 -0.52 0.00 0.00 55.73 55.05 1rm9 s ARG 215 Cb 0.20 -3.09 -0.13 0.00 0.52 0.00 0.00 34.95 32.45 1rm9 s ARG 215 CO 0.35 0.66 1.75 -3.47 0.02 0.00 0.00 175.30 174.61 1rm9 n ASP 216 N 1.19 3.09 -1.95 0.23 -0.08 -1.26 -4.87 116.55 112.89 1rm9 n ASP 216 Ca -0.12 1.02 -0.06 0.00 -1.51 0.00 0.00 54.79 54.12 1rm9 n ASP 216 Cb 0.53 -1.34 -0.00 0.00 2.34 0.00 0.00 41.12 42.65 1rm9 n ASP 216 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rm9 n HIS 217 N 5.42 -1.28 -3.69 -0.67 1.44 -1.26 -1.18 115.22 113.99 1rm9 n HIS 217 Ca 0.22 -1.07 -0.12 0.00 -2.01 0.00 0.00 57.72 54.74 1rm9 n HIS 217 Cb 0.26 0.36 -0.09 0.00 0.12 0.00 0.00 29.99 30.64 1rm9 n HIS 217 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 1rm9 s MET 218 N -2.24 0.54 -0.22 -1.40 1.75 -0.52 -4.94 119.30 112.26 1rm9 s MET 218 Ca 0.12 0.80 -0.05 0.00 -1.25 0.00 0.00 55.69 55.30 1rm9 s MET 218 Cb -0.01 0.16 -0.02 0.00 2.84 0.00 0.00 34.83 37.80 1rm9 s MET 218 CO 0.08 -0.11 -0.01 0.08 -0.65 0.00 0.00 175.02 174.42 1rm9 s VAL 219 N 0.83 3.72 -0.05 10.11 1.01 0.20 -1.02 120.40 135.20 1rm9 s VAL 219 Ca -0.05 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.60 1rm9 s VAL 219 Cb -0.05 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1rm9 s VAL 219 CO -0.07 0.40 -0.18 -0.22 0.00 0.00 0.00 175.10 175.04 1rm9 s LEU 220 N 1.41 2.54 -0.48 3.92 2.96 0.19 -0.90 118.68 128.32 1rm9 s LEU 220 Ca 0.05 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1rm9 s LEU 220 Cb -0.15 -1.50 0.16 0.00 0.50 0.00 0.00 46.19 45.20 1rm9 s LEU 220 CO -0.00 0.32 0.34 -0.22 -1.32 0.00 0.00 176.35 175.47 1rm9 s LEU 221 N -0.60 2.52 0.35 -0.68 2.96 -1.03 -1.38 118.68 120.82 1rm9 s LEU 221 Ca 0.09 -3.06 -0.00 0.00 -0.22 0.00 0.00 54.13 50.94 1rm9 s LEU 221 Cb -0.11 -0.88 -0.03 0.00 0.50 0.00 0.00 46.19 45.67 1rm9 s LEU 221 CO 0.01 -0.19 0.56 -0.70 -1.32 0.00 0.00 176.35 174.71 1rm9 s GLU 222 N -0.13 3.49 -0.08 1.98 2.12 -0.45 -2.76 118.70 122.87 1rm9 s GLU 222 Ca 0.26 -0.29 -0.03 0.00 0.36 0.00 0.00 54.97 55.27 1rm9 s GLU 222 Cb -0.08 -2.64 0.05 0.00 0.26 0.00 0.00 34.13 31.71 1rm9 s GLU 222 CO -0.12 0.13 0.13 -0.06 -0.54 0.00 0.00 175.26 174.80 1rm9 s PHE 223 N -2.34 -0.08 -0.13 5.30 0.08 -0.44 -1.54 117.98 118.83 1rm9 s PHE 223 Ca 0.41 0.40 0.01 0.00 0.12 0.00 0.00 56.93 57.87 1rm9 s PHE 223 Cb -0.10 -0.37 0.02 0.00 -0.57 0.00 0.00 43.02 42.00 1rm9 s PHE 223 CO 0.36 -0.29 -0.15 0.08 -0.10 0.00 0.00 175.22 175.13 1rm9 s VAL 224 N 2.24 1.57 -0.05 -0.44 1.01 -0.93 -1.91 120.40 121.90 1rm9 s VAL 224 Ca 0.04 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 1rm9 s VAL 224 Cb -0.13 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.83 1rm9 s VAL 224 CO -0.06 0.46 -0.02 0.28 0.00 0.00 0.00 175.10 175.76 1rm9 s THR 225 N 1.18 0.41 0.67 3.92 -1.32 -1.11 -1.46 115.64 117.93 1rm9 s THR 225 Ca -0.02 0.01 -0.15 0.00 -1.21 0.00 0.00 61.69 60.32 1rm9 s THR 225 Cb -0.14 -0.50 0.01 0.00 -1.51 0.00 0.00 72.50 70.35 1rm9 s THR 225 CO -0.05 0.23 1.14 0.00 -2.21 0.00 0.00 174.62 173.72 1rm9 s ALA 226 N 1.37 2.39 0.06 11.08 0.00 -0.43 -1.41 121.76 134.83 1rm9 s ALA 226 Ca -0.04 0.66 -0.26 0.00 0.00 0.00 0.00 51.96 52.31 1rm9 s ALA 226 Cb -0.13 -3.36 0.09 0.00 0.00 0.00 0.00 23.12 19.71 1rm9 s ALA 226 CO -0.02 -1.40 1.20 0.00 0.00 0.00 0.00 175.76 175.53 1rm9 s ALA 227 N -2.20 -2.15 0.00 0.00 0.00 -0.69 -4.59 121.76 112.13 1rm9 s ALA 227 Ca 0.69 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1rm9 s ALA 227 Cb -0.23 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.71 1rm9 s ALA 227 CO 0.41 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1rm9 n GLY 228 N -0.81 2.66 0.36 0.00 0.00 -1.26 -1.36 105.19 104.78 1rm9 n GLY 228 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1rm9 n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71