#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m s GLN 2 N 0.00 3.10 -0.24 2.12 1.03 -1.26 -1.08 119.66 123.32 1k9m s GLN 2 Ca 0.00 -0.53 0.01 0.00 0.04 0.00 0.00 55.36 54.88 1k9m s GLN 2 Cb 0.00 -2.87 0.06 0.00 0.03 0.00 0.00 33.01 30.24 1k9m s GLN 2 CO 0.00 0.62 -0.05 0.00 -2.54 0.00 0.00 175.29 173.31 1k9m s ALA 3 N -1.32 2.02 -0.53 2.60 0.00 0.30 -4.70 121.76 120.13 1k9m s ALA 3 Ca 0.27 -1.41 -0.28 0.00 0.00 0.00 0.00 51.96 50.54 1k9m s ALA 3 Cb -0.12 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1k9m s ALA 3 CO 0.19 -1.21 1.55 0.99 0.00 0.00 0.00 175.76 177.29 1k9m s THR 4 N 1.37 3.66 0.24 0.00 2.01 -1.26 -1.21 115.64 120.44 1k9m s THR 4 Ca -0.06 0.56 -0.30 0.00 0.31 0.00 0.00 61.69 62.21 1k9m s THR 4 Cb -0.19 -4.22 -0.09 0.00 0.01 0.00 0.00 72.50 68.01 1k9m s THR 4 CO -0.06 -0.99 1.15 -0.63 -0.69 0.00 0.00 174.62 173.39 1k9m s ILE 5 N 6.72 3.51 0.08 1.82 1.01 -1.10 -4.40 121.20 128.84 1k9m s ILE 5 Ca 0.59 1.40 0.08 0.00 0.00 0.00 0.00 60.65 62.72 1k9m s ILE 5 Cb -0.13 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1k9m s ILE 5 CO 0.26 0.29 -0.17 -0.31 0.00 0.00 0.00 174.94 175.01 1k9m s TYR 6 N -0.67 2.59 0.53 3.97 1.51 -1.00 -0.67 117.35 123.60 1k9m s TYR 6 Ca 0.48 -0.24 0.03 0.00 -1.01 0.00 0.00 57.07 56.33 1k9m s TYR 6 Cb -0.32 -1.42 0.03 0.00 -0.11 0.00 0.00 41.96 40.13 1k9m s TYR 6 CO 0.40 0.33 0.74 0.16 -1.11 0.00 0.00 175.55 176.06 1k9m s ASP 7 N -1.79 5.34 0.00 2.29 -4.77 -0.90 -1.32 116.67 115.51 1k9m s ASP 7 Ca 0.17 -0.10 0.01 0.00 -3.30 0.00 0.00 52.55 49.33 1k9m s ASP 7 Cb -0.11 -0.81 0.09 0.00 -1.09 0.00 0.00 42.92 41.00 1k9m s ASP 7 CO 0.08 -1.08 0.35 0.18 0.70 0.00 0.00 175.17 175.40 1k9m n LEU 8 N -2.25 0.00 -0.00 2.11 4.77 -1.26 -0.73 117.00 119.63 1k9m n LEU 8 Ca 0.08 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.11 1k9m n LEU 8 Cb 0.60 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 1k9m n LEU 8 CO 0.44 0.00 -0.16 0.47 -1.33 0.00 0.00 177.39 176.80 1k9m n ASP 9 N -0.62 0.98 0.00 -1.43 8.00 -1.26 -4.76 116.55 117.45 1k9m n ASP 9 Ca 0.01 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1k9m n ASP 9 Cb 0.01 1.11 0.00 0.00 -0.02 0.00 0.00 41.12 42.22 1k9m n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k9m n GLY 10 N 1.39 0.85 3.85 0.44 0.00 0.09 -4.92 105.19 106.89 1k9m n GLY 10 Ca 0.01 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1k9m n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k9m s ASN 11 N -2.07 6.29 0.52 1.61 0.01 -1.26 -4.85 114.94 115.19 1k9m s ASN 11 Ca 0.00 0.41 -0.20 0.00 -0.71 0.00 0.00 52.86 52.36 1k9m s ASN 11 Cb 0.00 -2.04 -0.08 0.00 0.41 0.00 0.00 41.25 39.54 1k9m s ASN 11 CO 0.00 0.37 0.82 0.35 -1.51 0.00 0.00 177.10 177.13 1k9m n THR 12 N 2.22 2.77 -2.90 1.60 -2.24 -1.26 -2.11 114.28 112.35 1k9m n THR 12 Ca -0.19 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 60.96 1k9m n THR 12 Cb 0.54 -0.97 0.03 0.00 -2.10 0.00 0.00 70.33 67.83 1k9m n THR 12 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1k9m n ASP 13 N 0.13 -1.51 0.00 3.42 -0.08 0.15 -4.79 116.55 113.88 1k9m n ASP 13 Ca 0.12 -3.28 0.00 0.00 -1.51 0.00 0.00 54.79 50.11 1k9m n ASP 13 Cb 0.44 1.00 0.00 0.00 2.34 0.00 0.00 41.12 44.90 1k9m n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k9m n GLY 14 N 0.92 -1.77 3.61 0.27 0.00 -1.26 -4.67 105.19 102.29 1k9m n GLY 14 Ca 0.13 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 1k9m n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k9m s GLU 15 N 0.00 0.42 0.37 1.61 -1.05 -1.26 -2.70 118.70 116.08 1k9m s GLU 15 Ca 0.00 0.19 0.08 0.00 -0.15 0.00 0.00 54.97 55.09 1k9m s GLU 15 Cb 0.00 0.20 -0.06 0.00 -0.44 0.00 0.00 34.13 33.82 1k9m s GLU 15 CO 0.00 -0.11 0.01 0.08 0.95 0.00 0.00 175.26 176.19 1k9m s VAL 16 N -0.76 2.32 -0.04 1.83 1.01 -0.35 -4.88 120.40 119.52 1k9m s VAL 16 Ca 0.02 -1.99 -0.29 0.00 0.00 0.00 0.00 61.98 59.72 1k9m s VAL 16 Cb -0.02 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1k9m s VAL 16 CO -0.03 -0.12 0.97 -1.81 0.00 0.00 0.00 175.10 174.11 1k9m s ASP 17 N -3.72 7.30 -0.32 3.32 1.01 -1.26 0.11 116.67 123.12 1k9m s ASP 17 Ca 0.35 1.58 -0.29 0.00 0.71 0.00 0.00 52.55 54.91 1k9m s ASP 17 Cb 0.04 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 1k9m s ASP 17 CO 0.19 -0.31 1.58 -0.22 0.21 0.00 0.00 175.17 176.61 1k9m s LEU 18 N 1.32 3.69 0.80 1.23 2.96 -0.25 -4.85 118.68 123.59 1k9m s LEU 18 Ca 0.50 1.26 -0.16 0.00 -0.22 0.00 0.00 54.13 55.51 1k9m s LEU 18 Cb -0.20 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1k9m s LEU 18 CO 0.24 -1.42 0.20 -0.81 -1.32 0.00 0.00 176.35 173.24 1k9m n PRO 19 N 7.97 0.07 -0.33 0.98 -0.04 -1.26 -4.02 135.00 138.37 1k9m n PRO 19 Ca 0.19 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.78 1k9m n PRO 19 Cb 0.47 -1.61 0.23 0.00 -0.04 0.00 0.00 33.50 32.55 1k9m n PRO 19 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1k9m h ASP 20 N -0.74 0.78 -0.91 3.54 3.32 -1.92 -2.67 116.42 117.82 1k9m h ASP 20 Ca -0.44 0.06 0.24 0.00 0.02 0.00 0.00 57.03 56.91 1k9m h ASP 20 Cb 1.33 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.75 1k9m h ASP 20 CO 0.37 0.39 0.63 -0.37 -1.72 0.00 0.00 179.24 178.54 1k9m h VAL 21 N 0.85 0.59 0.00 -1.35 -1.51 -1.90 0.42 116.25 113.35 1k9m h VAL 21 Ca 0.48 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.90 1k9m h VAL 21 Cb 0.56 0.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 1k9m h VAL 21 CO -0.30 0.03 0.00 0.49 -1.23 0.00 0.00 177.57 176.56 1k9m n PHE 22 N -4.37 0.00 0.50 5.19 3.01 -1.01 -1.19 117.46 119.60 1k9m n PHE 22 Ca 0.19 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.71 1k9m n PHE 22 Cb 0.88 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.38 1k9m n PHE 22 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1k9m n GLU 23 N -0.79 1.21 -1.80 -1.08 1.02 0.15 -4.55 120.64 114.80 1k9m n GLU 23 Ca 0.06 -0.99 -0.42 0.00 -0.02 0.00 0.00 57.16 55.80 1k9m n GLU 23 Cb 0.03 -1.19 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 1k9m n GLU 23 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1k9m s THR 24 N -1.20 2.19 0.06 2.62 2.01 -0.33 -4.88 115.64 116.11 1k9m s THR 24 Ca 0.12 0.15 -0.32 0.00 0.31 0.00 0.00 61.69 61.95 1k9m s THR 24 Cb 0.10 -3.09 -0.11 0.00 0.01 0.00 0.00 72.50 69.41 1k9m s THR 24 CO 0.21 0.02 1.87 -0.81 -0.69 0.00 0.00 174.62 175.21 1k9m n PRO 25 N 3.38 2.67 -1.64 4.92 -0.04 -1.26 -4.73 135.00 138.30 1k9m n PRO 25 Ca 0.13 0.97 -0.43 0.00 -0.04 0.00 0.00 63.50 64.13 1k9m n PRO 25 Cb 0.37 -2.87 -0.03 0.00 -0.04 0.00 0.00 33.50 30.92 1k9m n PRO 25 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1k9m n VAL 26 N 4.95 0.63 -3.82 0.52 0.31 -1.26 -4.82 118.33 114.84 1k9m n VAL 26 Ca 0.19 -0.23 -0.33 0.00 -0.01 0.00 0.00 64.34 63.97 1k9m n VAL 26 Cb 0.36 -2.35 -0.11 0.00 -0.91 0.00 0.00 33.84 30.83 1k9m n VAL 26 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1k9m s ARG 27 N 5.01 2.45 0.56 5.55 6.06 -1.26 -4.95 118.95 132.37 1k9m s ARG 27 Ca 0.93 -2.81 0.31 0.00 -2.50 0.00 0.00 55.73 51.66 1k9m s ARG 27 Cb -0.43 -3.57 1.69 0.00 0.06 0.00 0.00 34.95 32.70 1k9m s ARG 27 CO 0.41 -1.18 2.15 0.66 -2.50 0.00 0.00 175.30 174.84 1k9m h SER 28 N 6.42 0.00 -0.27 -2.12 4.64 -1.95 -2.05 113.55 118.22 1k9m h SER 28 Ca 0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 1k9m h SER 28 Cb 0.88 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1k9m h SER 28 CO 0.72 0.06 -0.14 -2.24 -0.87 0.00 0.00 176.83 174.37 1k9m h ASP 29 N 0.00 0.60 -0.23 4.97 2.03 -1.94 0.65 116.42 122.50 1k9m h ASP 29 Ca -0.00 -0.41 -0.18 0.00 -0.73 0.00 0.00 57.03 55.71 1k9m h ASP 29 Cb 0.23 -0.16 -0.00 0.00 -0.83 0.00 0.00 39.33 38.56 1k9m h ASP 29 CO 0.01 0.88 -0.53 -0.07 -1.03 0.00 0.00 179.24 178.50 1k9m h LEU 30 N 0.31 0.90 -0.08 0.15 3.38 -1.90 -1.98 115.31 116.10 1k9m h LEU 30 Ca 0.06 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.57 1k9m h LEU 30 Cb 0.66 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1k9m h LEU 30 CO 0.04 1.26 -0.03 0.40 0.09 0.00 0.00 178.44 180.19 1k9m h ILE 31 N 0.63 0.88 -0.58 1.22 2.04 -1.31 -1.34 117.51 119.06 1k9m h ILE 31 Ca 0.02 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.99 1k9m h ILE 31 Cb 1.12 0.88 -0.08 0.00 -0.74 0.00 0.00 36.82 38.00 1k9m h ILE 31 CO 0.11 0.00 0.11 1.23 0.00 0.00 0.00 178.15 179.61 1k9m h GLY 32 N -0.02 0.72 1.23 5.37 0.00 -0.69 -1.06 103.07 108.62 1k9m h GLY 32 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1k9m h GLY 32 CO -0.10 -0.11 0.30 1.70 0.00 0.00 0.00 176.54 178.33 1k9m h LYS 33 N 0.25 0.99 -0.50 4.80 3.64 -0.88 -0.72 116.57 124.15 1k9m h LYS 33 Ca 0.30 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 1k9m h LYS 33 Cb 0.44 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1k9m h LYS 33 CO -0.39 0.79 -0.15 0.00 -2.27 0.00 0.00 179.45 177.43 1k9m h ALA 34 N 1.34 0.79 -0.18 5.00 0.00 -0.11 -2.13 119.26 123.98 1k9m h ALA 34 Ca 0.23 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1k9m h ALA 34 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1k9m h ALA 34 CO -0.03 0.66 -0.51 0.28 0.00 0.00 0.00 179.25 179.66 1k9m h VAL 35 N 0.85 1.32 -0.03 0.00 2.07 -0.91 -2.35 116.25 117.21 1k9m h VAL 35 Ca 0.13 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1k9m h VAL 35 Cb 0.70 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1k9m h VAL 35 CO 0.05 0.54 0.02 -0.09 0.02 0.00 0.00 177.57 178.11 1k9m h ARG 36 N 0.39 0.04 -0.43 1.57 2.43 -0.92 -1.31 114.38 116.14 1k9m h ARG 36 Ca 0.02 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1k9m h ARG 36 Cb 1.02 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.53 1k9m h ARG 36 CO 0.09 0.04 0.21 0.00 -1.51 0.00 0.00 179.97 178.80 1k9m h ALA 37 N 1.00 0.53 -0.82 2.80 0.00 -1.30 0.14 119.26 121.61 1k9m h ALA 37 Ca 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1k9m h ALA 37 Cb 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1k9m h ALA 37 CO -0.00 -0.15 0.36 0.00 0.00 0.00 0.00 179.25 179.46 1k9m h ALA 38 N 1.23 1.06 -0.20 0.00 0.00 -1.31 -0.83 119.26 119.20 1k9m h ALA 38 Ca 0.18 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1k9m h ALA 38 Cb 0.10 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1k9m h ALA 38 CO -0.14 0.65 -0.62 1.96 0.00 0.00 0.00 179.25 181.10 1k9m h GLN 39 N 1.17 0.70 -0.19 0.00 4.20 -0.47 -3.22 115.11 117.30 1k9m h GLN 39 Ca 0.28 -0.49 -0.04 0.00 0.06 0.00 0.00 58.65 58.47 1k9m h GLN 39 Cb 0.16 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1k9m h GLN 39 CO -0.03 1.11 -0.02 0.00 -0.67 0.00 0.00 178.83 179.21 1k9m h ALA 40 N 0.78 0.26 0.00 3.87 0.00 -0.52 -3.15 119.26 120.50 1k9m h ALA 40 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1k9m h ALA 40 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1k9m h ALA 40 CO 0.13 0.00 0.12 -0.91 0.00 0.00 0.00 179.25 178.59 1k9m h ASN 41 N 0.08 0.00 -0.47 0.00 2.35 -1.19 -0.57 115.58 115.78 1k9m h ASN 41 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1k9m h ASN 41 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1k9m h ASN 41 CO 0.01 0.00 0.00 -2.11 -1.65 0.00 0.00 177.43 173.68 1k9m n ARG 42 N -2.60 2.52 -2.74 0.81 1.85 -1.19 -4.93 116.66 110.38 1k9m n ARG 42 Ca -0.02 -2.33 -0.38 0.00 -1.00 0.00 0.00 57.85 54.12 1k9m n ARG 42 Cb 0.16 -1.49 -0.06 0.00 -1.05 0.00 0.00 32.46 30.02 1k9m n ARG 42 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1k9m s LYS 43 N -1.26 4.64 0.15 2.89 3.01 -0.22 -5.04 119.74 123.92 1k9m s LYS 43 Ca 0.39 1.41 -0.12 0.00 -1.01 0.00 0.00 55.97 56.64 1k9m s LYS 43 Cb 0.22 -2.94 -0.07 0.00 -1.01 0.00 0.00 37.83 34.03 1k9m s LYS 43 CO 0.30 0.32 0.51 -0.65 0.51 0.00 0.00 175.35 176.34 1k9m s GLN 44 N -1.80 3.87 0.35 1.68 -0.21 -1.26 -5.00 119.66 117.29 1k9m s GLN 44 Ca 0.48 0.34 -0.27 0.00 0.02 0.00 0.00 55.36 55.93 1k9m s GLN 44 Cb -0.22 -2.87 -0.09 0.00 1.00 0.00 0.00 33.01 30.83 1k9m s GLN 44 CO 0.27 0.46 1.13 -0.51 -2.12 0.00 0.00 175.29 174.51 1k9m s ASP 45 N -1.91 6.88 0.33 5.90 -0.00 -1.26 -5.05 116.67 121.55 1k9m s ASP 45 Ca 0.39 2.27 0.01 0.00 -0.00 0.00 0.00 52.55 55.22 1k9m s ASP 45 Cb -0.14 -2.62 -0.00 0.00 -0.00 0.00 0.00 42.92 40.17 1k9m s ASP 45 CO 0.20 -0.42 0.41 0.00 -0.00 0.00 0.00 175.17 175.36 1k9m n TYR 46 N 0.53 -1.21 0.00 4.23 0.18 -1.26 -4.99 117.16 114.63 1k9m n TYR 46 Ca 0.02 -2.35 0.00 0.00 1.88 0.00 0.00 57.90 57.45 1k9m n TYR 46 Cb 0.46 0.45 0.00 0.00 -0.38 0.00 0.00 39.34 39.87 1k9m n TYR 46 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1k9m n GLY 47 N -0.56 3.63 3.79 -7.48 0.00 -1.26 -1.66 105.19 101.65 1k9m n GLY 47 Ca 0.03 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 1k9m n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k9m s SER 48 N 0.00 4.42 0.08 1.61 1.04 -1.19 -4.84 113.70 114.83 1k9m s SER 48 Ca 0.00 1.43 -0.33 0.00 0.48 0.00 0.00 55.95 57.53 1k9m s SER 48 Cb 0.00 -2.17 -0.12 0.00 0.10 0.00 0.00 66.02 63.82 1k9m s SER 48 CO 0.00 -2.03 1.75 -0.67 0.98 0.00 0.00 173.24 173.27 1k9m n ASP 49 N -3.48 3.52 -0.33 7.02 -0.08 -1.26 -4.84 116.55 117.09 1k9m n ASP 49 Ca 0.07 1.02 0.17 0.00 -1.51 0.00 0.00 54.79 54.55 1k9m n ASP 49 Cb 0.55 -1.45 0.37 0.00 2.34 0.00 0.00 41.12 42.93 1k9m n ASP 49 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1k9m h GLU 50 N 7.65 0.46 -0.62 -0.67 4.39 -1.98 -0.98 114.58 122.83 1k9m h GLU 50 Ca -0.46 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1k9m h GLU 50 Cb 1.25 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1k9m h GLU 50 CO 0.93 0.30 0.00 0.66 -1.16 0.00 0.00 179.01 179.74 1k9m n TYR 51 N -4.97 1.51 -1.83 4.33 4.02 -1.26 -4.94 117.16 114.02 1k9m n TYR 51 Ca 0.26 -0.63 -0.43 0.00 -0.01 0.00 0.00 57.90 57.09 1k9m n TYR 51 Cb 0.76 -0.27 -0.03 0.00 -0.02 0.00 0.00 39.34 39.78 1k9m n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1k9m s ALA 52 N -1.97 3.21 0.00 -0.72 0.00 -0.37 -1.74 121.76 120.16 1k9m s ALA 52 Ca 0.51 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1k9m s ALA 52 Cb 0.34 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1k9m s ALA 52 CO 0.23 -2.08 0.00 0.41 0.00 0.00 0.00 175.76 174.32 1k9m n GLY 53 N 4.95 0.99 0.47 0.00 0.00 -1.26 -4.10 105.19 106.23 1k9m n GLY 53 Ca 0.22 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.33 1k9m n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k9m n LEU 54 N 0.00 1.89 -4.06 0.99 4.77 -0.71 -3.69 117.00 116.19 1k9m n LEU 54 Ca 0.00 -0.81 -0.42 0.00 -0.03 0.00 0.00 56.01 54.75 1k9m n LEU 54 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1k9m n LEU 54 CO 0.00 0.35 2.38 0.54 -1.33 0.00 0.00 177.39 179.34 1k9m n ARG 55 N 0.14 2.91 -3.60 3.23 1.74 -1.24 -4.81 116.66 115.04 1k9m n ARG 55 Ca 0.08 -2.83 -0.06 0.00 -0.77 0.00 0.00 57.85 54.27 1k9m n ARG 55 Cb 0.39 -3.37 -0.04 0.00 -1.02 0.00 0.00 32.46 28.42 1k9m n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1k9m s THR 56 N 3.79 0.00 -1.00 0.55 -1.32 -1.26 -5.02 115.64 111.37 1k9m s THR 56 Ca 0.50 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 61.16 1k9m s THR 56 Cb 0.10 -1.00 0.71 0.00 -1.51 0.00 0.00 72.50 70.80 1k9m s THR 56 CO -0.02 0.00 1.63 -0.81 -2.21 0.00 0.00 174.62 173.21 1k9m n PRO 57 N 0.43 3.80 -1.36 7.08 -0.04 -1.26 -5.01 135.00 138.64 1k9m n PRO 57 Ca -0.05 -2.90 -0.46 0.00 -0.04 0.00 0.00 63.50 60.06 1k9m n PRO 57 Cb 0.59 -1.91 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 1k9m n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k9m n ALA 58 N 1.00 -2.91 -2.27 0.55 0.00 -1.26 -4.98 120.51 110.63 1k9m n ALA 58 Ca 0.25 0.32 -0.08 0.00 0.00 0.00 0.00 53.44 53.93 1k9m n ALA 58 Cb 0.91 -1.55 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 1k9m n ALA 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1k9m s GLU 59 N -0.99 0.62 -0.06 0.00 2.02 -0.77 -4.68 118.70 114.84 1k9m s GLU 59 Ca 0.62 -1.14 -0.17 0.00 0.02 0.00 0.00 54.97 54.30 1k9m s GLU 59 Cb -0.82 0.08 -0.05 0.00 0.10 0.00 0.00 34.13 33.44 1k9m s GLU 59 CO 0.58 -0.07 0.45 0.45 0.02 0.00 0.00 175.26 176.69 1k9m s SER 60 N -2.68 6.75 0.45 -0.19 0.15 -1.26 0.60 113.70 117.52 1k9m s SER 60 Ca 0.04 0.89 0.29 0.00 0.70 0.00 0.00 55.95 57.87 1k9m s SER 60 Cb 0.04 -2.27 1.01 0.00 -1.71 0.00 0.00 66.02 63.09 1k9m s SER 60 CO -0.07 0.16 1.83 -0.26 1.20 0.00 0.00 173.24 176.10 1k9m h PHE 61 N 5.75 0.00 0.00 3.44 -1.00 -1.92 -3.49 116.94 119.72 1k9m h PHE 61 Ca -0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.32 1k9m h PHE 61 Cb 1.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.76 1k9m h PHE 61 CO 0.66 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.77 1k9m n GLY 62 N 0.40 -1.45 3.85 -1.45 0.00 -1.26 -4.88 105.19 100.40 1k9m n GLY 62 Ca 0.02 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 1k9m n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k9m s SER 63 N -4.00 5.58 0.00 1.61 0.01 -1.26 -4.63 113.70 111.02 1k9m s SER 63 Ca 0.00 1.37 0.00 0.00 1.31 0.00 0.00 55.95 58.63 1k9m s SER 63 Cb 0.00 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1k9m s SER 63 CO 0.00 -1.28 0.00 0.61 0.41 0.00 0.00 173.24 172.98 1k9m n GLY 64 N -2.56 1.05 0.85 3.44 0.00 -1.26 -4.97 105.19 101.74 1k9m n GLY 64 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.14 1k9m n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1k9m n ARG 65 N 0.00 0.99 -3.53 1.61 1.85 -1.26 -4.97 116.66 111.35 1k9m n ARG 65 Ca 0.00 -2.74 -0.26 0.00 -1.00 0.00 0.00 57.85 53.85 1k9m n ARG 65 Cb 0.00 -1.04 0.03 0.00 -1.05 0.00 0.00 32.46 30.40 1k9m n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1k9m n GLY 66 N -0.57 -0.51 3.29 2.89 0.00 -1.26 -4.97 105.19 104.05 1k9m n GLY 66 Ca 0.14 0.18 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 1k9m n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k9m s GLN 67 N -6.23 1.35 0.57 1.61 0.74 -1.26 -5.12 119.66 111.33 1k9m s GLN 67 Ca 0.52 -1.08 -0.18 0.00 0.05 0.00 0.00 55.36 54.67 1k9m s GLN 67 Cb -0.25 -1.56 -0.04 0.00 1.10 0.00 0.00 33.01 32.26 1k9m s GLN 67 CO 0.64 0.38 1.10 0.00 -0.55 0.00 0.00 175.29 176.86 1k9m s ALA 68 N -0.95 2.66 -1.06 1.58 0.00 -1.26 -4.86 121.76 117.88 1k9m s ALA 68 Ca 0.08 0.67 -0.22 0.00 0.00 0.00 0.00 51.96 52.49 1k9m s ALA 68 Cb -0.09 -3.32 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 1k9m s ALA 68 CO 0.03 -0.85 1.92 0.72 0.00 0.00 0.00 175.76 177.59 1k9m n HIS 69 N -1.64 2.53 -5.21 0.00 -0.00 -1.26 -4.91 115.22 104.72 1k9m n HIS 69 Ca 0.11 -1.63 -0.30 0.00 -0.00 0.00 0.00 57.72 55.89 1k9m n HIS 69 Cb 0.52 -2.33 -0.16 0.00 -0.00 0.00 0.00 29.99 28.02 1k9m n HIS 69 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1k9m s VAL 70 N 8.81 1.97 0.21 1.59 1.01 -1.26 -4.99 120.40 127.74 1k9m s VAL 70 Ca 0.64 -1.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.22 1k9m s VAL 70 Cb 0.04 -1.64 -0.10 0.00 0.00 0.00 0.00 36.38 34.68 1k9m s VAL 70 CO 0.13 0.53 1.56 -2.84 0.00 0.00 0.00 175.10 174.49 1k9m s PRO 71 N -0.65 4.20 0.06 2.72 0.02 -1.26 -4.20 135.00 135.89 1k9m s PRO 71 Ca 0.10 2.41 0.01 0.00 0.02 0.00 0.00 61.00 63.54 1k9m s PRO 71 Cb -0.10 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 1k9m s PRO 71 CO -0.01 -0.59 -0.05 0.15 -0.33 0.00 0.00 177.00 176.18 1k9m s LYS 72 N 0.55 0.62 -0.13 5.54 1.02 0.20 -1.42 119.74 126.12 1k9m s LYS 72 Ca 0.67 -1.07 -0.07 0.00 0.02 0.00 0.00 55.97 55.52 1k9m s LYS 72 Cb -0.45 -0.03 0.05 0.00 -0.52 0.00 0.00 37.83 36.88 1k9m s LYS 72 CO 0.37 -0.04 0.31 -1.17 -0.92 0.00 0.00 175.35 173.89 1k9m s LEU 73 N -2.48 0.33 -1.35 3.17 2.96 0.89 -1.84 118.68 120.36 1k9m s LEU 73 Ca 0.02 0.65 -0.06 0.00 -0.22 0.00 0.00 54.13 54.51 1k9m s LEU 73 Cb 0.01 0.97 0.04 0.00 0.50 0.00 0.00 46.19 47.71 1k9m s LEU 73 CO -0.05 -0.16 0.45 0.47 -1.32 0.00 0.00 176.35 175.74 1k9m n ASP 74 N 4.03 -4.52 -1.09 3.68 8.00 -1.26 -0.95 116.55 124.43 1k9m n ASP 74 Ca -0.23 -0.27 -0.13 0.00 0.71 0.00 0.00 54.79 54.87 1k9m n ASP 74 Cb 0.54 -3.72 -0.05 0.00 -0.02 0.00 0.00 41.12 37.88 1k9m n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k9m n GLY 75 N -1.23 1.21 3.13 0.44 0.00 -1.26 -4.99 105.19 102.49 1k9m n GLY 75 Ca -0.07 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 1k9m n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k9m s ARG 76 N -3.33 2.48 0.72 1.61 3.52 -0.13 -5.10 118.95 118.72 1k9m s ARG 76 Ca 0.00 -0.68 -0.14 0.00 -0.13 0.00 0.00 55.73 54.79 1k9m s ARG 76 Cb 0.00 -1.96 0.03 0.00 -1.56 0.00 0.00 34.95 31.47 1k9m s ARG 76 CO 0.00 0.08 1.14 0.00 -0.81 0.00 0.00 175.30 175.70 1k9m s ALA 77 N 0.58 2.24 0.16 6.12 0.00 -1.26 -0.08 121.76 129.53 1k9m s ALA 77 Ca -0.15 0.59 -0.25 0.00 0.00 0.00 0.00 51.96 52.16 1k9m s ALA 77 Cb -0.17 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 19.65 1k9m s ALA 77 CO 0.05 -1.67 0.90 1.03 0.00 0.00 0.00 175.76 176.07 1k9m s ARG 78 N -4.24 1.27 0.00 0.00 0.52 -0.51 -4.83 118.95 111.16 1k9m s ARG 78 Ca 0.68 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 55.21 1k9m s ARG 78 Cb -0.22 0.45 0.00 0.00 0.52 0.00 0.00 34.95 35.69 1k9m s ARG 78 CO 0.47 -0.58 0.00 -2.13 0.02 0.00 0.00 175.30 173.08 1k9m n ARG 79 N -0.45 0.00 -1.52 3.54 0.63 -1.24 -4.49 116.66 113.14 1k9m n ARG 79 Ca -0.06 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.48 1k9m n ARG 79 Cb 0.61 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.55 1k9m n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1k9m n VAL 80 N 0.00 2.48 -0.33 5.15 0.24 -1.26 0.74 118.33 125.35 1k9m n VAL 80 Ca 0.00 -0.50 0.11 0.00 -2.04 0.00 0.00 64.34 61.91 1k9m n VAL 80 Cb 0.00 -0.83 0.29 0.00 -1.47 0.00 0.00 33.84 31.83 1k9m n VAL 80 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1k9m h PRO 81 N 0.62 0.67 -0.12 7.34 0.11 -1.89 -0.25 132.00 138.48 1k9m h PRO 81 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1k9m h PRO 81 Cb 1.38 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1k9m h PRO 81 CO 0.50 0.45 0.00 0.00 -0.21 0.00 0.00 178.00 178.74 1k9m n GLN 82 N -4.82 1.20 -4.11 1.05 0.00 -1.26 -4.80 117.38 104.64 1k9m n GLN 82 Ca 0.21 -0.30 -0.36 0.00 0.00 0.00 0.00 57.00 56.55 1k9m n GLN 82 Cb 0.53 -1.09 -0.08 0.00 0.00 0.00 0.00 30.24 29.60 1k9m n GLN 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1k9m s ALA 83 N -1.86 3.57 0.23 2.61 0.00 -0.10 -5.03 121.76 121.18 1k9m s ALA 83 Ca 0.06 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.99 1k9m s ALA 83 Cb 0.03 -1.75 -0.10 0.00 0.00 0.00 0.00 23.12 21.30 1k9m s ALA 83 CO 0.04 0.56 1.49 0.08 0.00 0.00 0.00 175.76 177.92 1k9m s VAL 84 N -0.83 2.59 0.00 0.00 1.01 -1.26 -0.35 120.40 121.56 1k9m s VAL 84 Ca 0.13 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1k9m s VAL 84 Cb -0.12 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1k9m s VAL 84 CO 0.03 0.07 0.00 0.29 0.00 0.00 0.00 175.10 175.48 1k9m n LYS 85 N 2.72 0.00 -2.12 2.72 4.76 -1.26 -4.74 118.16 120.24 1k9m n LYS 85 Ca 0.09 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.25 1k9m n LYS 85 Cb 0.40 -2.19 0.13 0.00 -1.84 0.00 0.00 35.03 31.52 1k9m n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1k9m s GLY 86 N -1.88 1.73 1.00 0.72 0.00 0.52 -4.45 107.32 104.97 1k9m s GLY 86 Ca 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 44.72 43.44 1k9m s GLY 86 CO 0.00 -0.56 1.08 1.09 0.00 0.00 0.00 173.10 174.71 1k9m s ARG 87 N -5.55 0.38 -0.40 2.90 1.70 0.23 -4.70 118.95 113.52 1k9m s ARG 87 Ca 0.68 1.03 -0.19 0.00 -0.47 0.00 0.00 55.73 56.77 1k9m s ARG 87 Cb -0.07 -1.69 0.01 0.00 -0.57 0.00 0.00 34.95 32.63 1k9m s ARG 87 CO 0.49 -2.90 0.57 0.45 -1.08 0.00 0.00 175.30 172.83 1k9m s SER 88 N -2.88 6.32 0.14 -2.89 0.15 -1.26 -4.04 113.70 109.24 1k9m s SER 88 Ca 0.66 -0.21 -0.32 0.00 0.70 0.00 0.00 55.95 56.78 1k9m s SER 88 Cb -0.22 -2.29 -0.09 0.00 -1.71 0.00 0.00 66.02 61.71 1k9m s SER 88 CO 0.60 -0.63 1.54 0.00 1.20 0.00 0.00 173.24 175.95 1k9m h ALA 89 N 8.66 -0.70 -2.85 5.45 0.00 -1.93 -3.30 119.26 124.59 1k9m h ALA 89 Ca -0.26 0.04 -0.61 0.00 0.00 0.00 0.00 54.91 54.08 1k9m h ALA 89 Cb 1.11 1.22 -0.40 0.00 0.00 0.00 0.00 17.79 19.72 1k9m h ALA 89 CO 0.83 -1.02 -0.77 -1.01 0.00 0.00 0.00 179.25 177.29 1k9m s HIS 90 N -5.56 1.97 0.65 0.00 3.76 -1.26 -5.12 115.29 109.73 1k9m s HIS 90 Ca -0.13 -2.50 -0.02 0.00 -0.15 0.00 0.00 55.06 52.26 1k9m s HIS 90 Cb 0.09 -1.76 0.07 0.00 1.11 0.00 0.00 32.58 32.09 1k9m s HIS 90 CO 0.61 -0.76 0.92 -1.25 -0.85 0.00 0.00 174.74 173.41 1k9m s PRO 91 N 0.05 2.17 0.66 8.40 0.04 -1.25 -5.06 135.00 140.03 1k9m s PRO 91 Ca 0.22 -0.68 -0.17 0.00 0.04 0.00 0.00 61.00 60.40 1k9m s PRO 91 Cb -0.15 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1k9m s PRO 91 CO -0.07 -1.10 1.25 -2.14 0.04 0.00 0.00 177.00 174.99 1k9m s PRO 92 N -5.03 2.49 -0.05 0.56 0.02 -1.26 -4.93 135.00 126.79 1k9m s PRO 92 Ca 0.61 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.56 1k9m s PRO 92 Cb -0.09 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.60 1k9m s PRO 92 CO 0.42 -1.61 -0.02 0.15 -0.33 0.00 0.00 177.00 175.61 1k9m s LYS 93 N -3.54 0.60 0.44 5.54 1.02 -1.24 -3.16 119.74 119.41 1k9m s LYS 93 Ca 0.79 0.01 0.21 0.00 0.02 0.00 0.00 55.97 57.00 1k9m s LYS 93 Cb -0.34 -0.75 1.18 0.00 -0.52 0.00 0.00 37.83 37.40 1k9m s LYS 93 CO 0.40 -0.15 1.85 1.15 -0.92 0.00 0.00 175.35 177.68 1k9m h THR 94 N 6.22 0.63 0.00 2.17 2.02 -1.64 -0.90 112.91 121.40 1k9m h THR 94 Ca -0.35 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1k9m h THR 94 Cb 1.14 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1k9m h THR 94 CO 0.42 0.06 0.00 -0.33 0.37 0.00 0.00 175.52 176.04 1k9m h GLU 95 N 0.31 0.00 -6.85 6.66 3.07 -1.95 -3.45 114.58 112.37 1k9m h GLU 95 Ca 0.47 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.80 1k9m h GLU 95 Cb 1.34 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 29.33 1k9m h GLU 95 CO -0.15 0.00 0.81 0.21 -1.40 0.00 0.00 179.01 178.47 1k9m s LYS 96 N -3.72 4.16 -0.60 2.33 2.20 -0.35 -4.94 119.74 118.83 1k9m s LYS 96 Ca 0.00 2.50 -0.24 0.00 -0.36 0.00 0.00 55.97 57.87 1k9m s LYS 96 Cb 0.10 -3.02 0.05 0.00 -1.51 0.00 0.00 37.83 33.44 1k9m s LYS 96 CO 0.49 -0.52 0.99 0.34 -0.36 0.00 0.00 175.35 176.28 1k9m s ASP 97 N 0.15 6.29 -0.16 1.43 3.68 -1.26 -4.88 116.67 121.93 1k9m s ASP 97 Ca 0.58 -0.50 0.17 0.00 2.13 0.00 0.00 52.55 54.92 1k9m s ASP 97 Cb -0.46 -2.45 0.77 0.00 -1.45 0.00 0.00 42.92 39.33 1k9m s ASP 97 CO 0.53 -1.34 1.68 0.54 0.13 0.00 0.00 175.17 176.71 1k9m n ARG 98 N 7.72 4.16 -3.71 4.34 1.74 -1.26 -4.94 116.66 124.71 1k9m n ARG 98 Ca 0.01 -3.00 -0.27 0.00 -0.77 0.00 0.00 57.85 53.81 1k9m n ARG 98 Cb 0.47 -2.03 -0.03 0.00 -1.02 0.00 0.00 32.46 29.85 1k9m n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1k9m s SER 99 N -0.87 6.38 -0.06 0.55 1.04 -1.26 -4.47 113.70 115.02 1k9m s SER 99 Ca 0.53 0.39 0.05 0.00 0.48 0.00 0.00 55.95 57.40 1k9m s SER 99 Cb 0.36 -2.00 -0.01 0.00 0.10 0.00 0.00 66.02 64.47 1k9m s SER 99 CO 0.22 -0.03 -0.21 -0.76 0.98 0.00 0.00 173.24 173.43 1k9m s LEU 100 N -3.30 2.00 0.50 2.42 1.43 -1.26 -4.99 118.68 115.48 1k9m s LEU 100 Ca 0.38 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1k9m s LEU 100 Cb -0.11 -1.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 1k9m s LEU 100 CO 0.29 0.19 0.79 -1.81 0.23 0.00 0.00 176.35 176.04 1k9m s ASP 101 N 0.02 5.94 -0.29 2.29 1.11 -1.26 -4.88 116.67 119.59 1k9m s ASP 101 Ca -0.06 0.69 -0.15 0.00 0.18 0.00 0.00 52.55 53.21 1k9m s ASP 101 Cb -0.14 -1.89 0.14 0.00 1.07 0.00 0.00 42.92 42.11 1k9m s ASP 101 CO 0.04 -0.76 0.90 -0.22 1.18 0.00 0.00 175.17 176.31 1k9m s LEU 102 N -4.76 -0.69 0.29 1.23 2.96 -1.26 -5.02 118.68 111.43 1k9m s LEU 102 Ca 0.49 1.00 -0.30 0.00 -0.22 0.00 0.00 54.13 55.10 1k9m s LEU 102 Cb -0.10 1.86 -0.12 0.00 0.50 0.00 0.00 46.19 48.33 1k9m s LEU 102 CO 0.43 -0.15 1.58 0.59 -1.32 0.00 0.00 176.35 177.48 1k9m n ASN 103 N 4.59 3.75 -0.27 3.68 3.02 -1.26 -4.81 115.26 123.96 1k9m n ASN 103 Ca -0.14 1.14 0.12 0.00 -0.03 0.00 0.00 54.58 55.68 1k9m n ASN 103 Cb 0.54 -1.58 0.38 0.00 -0.61 0.00 0.00 39.78 38.52 1k9m n ASN 103 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1k9m h ASP 104 N 4.76 0.64 -0.07 6.41 3.32 -2.01 0.14 116.42 129.62 1k9m h ASP 104 Ca -0.47 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 1k9m h ASP 104 Cb 1.23 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 1k9m h ASP 104 CO 0.79 0.32 0.03 0.11 -1.72 0.00 0.00 179.24 178.77 1k9m h LYS 105 N 0.68 0.10 -0.84 3.56 1.57 -1.99 0.84 116.57 120.49 1k9m h LYS 105 Ca 0.45 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.25 1k9m h LYS 105 Cb 0.75 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.99 1k9m h LYS 105 CO -0.21 0.21 0.54 1.49 -0.57 0.00 0.00 179.45 180.91 1k9m h GLU 106 N -0.04 1.00 -0.28 3.15 4.81 -1.59 -0.70 114.58 120.93 1k9m h GLU 106 Ca 0.02 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 1k9m h GLU 106 Cb 0.15 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1k9m h GLU 106 CO -0.00 0.66 -0.19 -0.09 -0.73 0.00 0.00 179.01 178.66 1k9m h ARG 107 N 1.03 0.63 -0.43 1.92 2.43 -0.42 -2.77 114.38 116.77 1k9m h ARG 107 Ca 0.34 -0.30 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 1k9m h ARG 107 Cb 0.02 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1k9m h ARG 107 CO -0.12 0.89 -0.06 1.96 -1.51 0.00 0.00 179.97 181.13 1k9m h GLN 108 N 0.37 0.74 -0.22 0.20 4.20 -0.64 -1.76 115.11 117.99 1k9m h GLN 108 Ca 0.06 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 1k9m h GLN 108 Cb 0.73 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1k9m h GLN 108 CO 0.05 0.79 -0.06 1.25 -0.67 0.00 0.00 178.83 180.19 1k9m h LEU 109 N 0.68 0.32 -0.62 1.46 5.85 -1.08 -0.97 115.31 120.95 1k9m h LEU 109 Ca 0.13 -0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 1k9m h LEU 109 Cb 0.51 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1k9m h LEU 109 CO 0.03 0.43 -0.64 0.00 -0.34 0.00 0.00 178.44 177.91 1k9m h ALA 110 N 1.62 0.82 -0.08 1.25 0.00 -1.05 -0.19 119.26 121.62 1k9m h ALA 110 Ca 0.07 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1k9m h ALA 110 Cb 0.32 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1k9m h ALA 110 CO 0.01 0.76 -0.02 0.28 0.00 0.00 0.00 179.25 180.28 1k9m h VAL 111 N 0.15 1.29 -0.13 0.00 2.07 -0.61 -1.16 116.25 117.86 1k9m h VAL 111 Ca -0.01 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1k9m h VAL 111 Cb 1.16 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1k9m h VAL 111 CO 0.10 0.26 0.09 0.03 0.02 0.00 0.00 177.57 178.06 1k9m h ARG 112 N -0.18 0.17 -0.92 1.57 3.08 -1.14 -1.06 114.38 115.91 1k9m h ARG 112 Ca 0.02 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.12 1k9m h ARG 112 Cb 0.41 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.36 1k9m h ARG 112 CO 0.01 0.13 0.60 1.03 -1.07 0.00 0.00 179.97 180.66 1k9m h SER 113 N 0.17 0.92 0.01 7.04 0.87 -0.92 -1.01 113.55 120.63 1k9m h SER 113 Ca 0.05 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.48 1k9m h SER 113 Cb -0.01 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 1k9m h SER 113 CO -0.01 0.59 -0.45 0.00 -0.53 0.00 0.00 176.83 176.44 1k9m h ALA 114 N 1.50 0.83 0.35 6.23 0.00 -0.90 -1.90 119.26 125.38 1k9m h ALA 114 Ca 0.40 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1k9m h ALA 114 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1k9m h ALA 114 CO -0.15 0.65 -0.26 1.25 0.00 0.00 0.00 179.25 180.74 1k9m h LEU 115 N 0.43 -0.67 -1.57 0.00 5.85 -0.04 -2.55 115.31 116.75 1k9m h LEU 115 Ca 0.03 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1k9m h LEU 115 Cb 0.95 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1k9m h LEU 115 CO 0.08 -0.40 0.33 0.00 -0.34 0.00 0.00 178.44 178.11 1k9m h ALA 116 N -0.03 1.75 0.00 1.25 0.00 -1.09 0.13 119.26 121.27 1k9m h ALA 116 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1k9m h ALA 116 Cb 0.53 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1k9m h ALA 116 CO 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 179.25 179.42 1k9m h ALA 117 N 1.71 1.08 0.00 0.00 0.00 -0.94 -1.50 119.26 119.60 1k9m h ALA 117 Ca 0.20 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1k9m h ALA 117 Cb 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1k9m h ALA 117 CO -0.05 0.04 -0.14 1.15 0.00 0.00 0.00 179.25 180.25 1k9m h THR 118 N 0.00 0.45 -0.40 0.00 2.02 -0.68 -3.07 112.91 111.23 1k9m h THR 118 Ca -0.00 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1k9m h THR 118 Cb 0.27 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1k9m h THR 118 CO 0.00 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.03 1k9m n ALA 119 N -2.22 2.89 -3.99 6.16 0.00 -0.57 -3.35 120.51 119.44 1k9m n ALA 119 Ca -0.01 -0.98 -0.32 0.00 0.00 0.00 0.00 53.44 52.13 1k9m n ALA 119 Cb 0.31 -1.02 -0.15 0.00 0.00 0.00 0.00 19.45 18.59 1k9m n ALA 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1k9m s ASP 120 N -0.73 4.82 0.41 0.00 -1.08 -1.16 -4.68 116.67 114.24 1k9m s ASP 120 Ca 0.32 -2.13 0.21 0.00 -0.52 0.00 0.00 52.55 50.43 1k9m s ASP 120 Cb 0.21 -1.65 1.16 0.00 -1.46 0.00 0.00 42.92 41.18 1k9m s ASP 120 CO 0.15 -0.40 1.76 0.00 0.52 0.00 0.00 175.17 177.20 1k9m h ALA 121 N 7.67 2.33 0.08 3.66 0.00 -1.85 -1.34 119.26 129.80 1k9m h ALA 121 Ca -0.05 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k9m h ALA 121 Cb 1.02 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1k9m h ALA 121 CO 0.54 -0.76 -0.04 -0.44 0.00 0.00 0.00 179.25 178.56 1k9m h ASP 122 N 0.34 -0.09 -0.28 0.00 3.32 -1.95 -2.15 116.42 115.61 1k9m h ASP 122 Ca 0.62 -0.36 0.06 0.00 0.02 0.00 0.00 57.03 57.37 1k9m h ASP 122 Cb 1.66 0.02 -0.07 0.00 0.22 0.00 0.00 39.33 41.16 1k9m h ASP 122 CO -0.30 0.33 -0.17 -0.07 -1.72 0.00 0.00 179.24 177.31 1k9m h LEU 123 N -0.53 -0.57 -2.45 1.55 3.38 -1.60 0.15 115.31 115.25 1k9m h LEU 123 Ca -0.01 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1k9m h LEU 123 Cb 0.45 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1k9m h LEU 123 CO 0.02 -0.21 0.00 0.58 0.09 0.00 0.00 178.44 178.92 1k9m h VAL 124 N -0.15 0.54 0.23 1.22 2.07 -1.44 0.42 116.25 119.15 1k9m h VAL 124 Ca 0.15 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.33 1k9m h VAL 124 Cb 0.37 1.00 0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1k9m h VAL 124 CO -0.37 0.00 -1.54 0.00 0.02 0.00 0.00 177.57 175.68 1k9m h ALA 125 N 2.00 -0.05 -0.18 1.67 0.00 -0.14 -3.11 119.26 119.45 1k9m h ALA 125 Ca 0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 54.91 53.85 1k9m h ALA 125 Cb 0.01 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1k9m h ALA 125 CO -0.00 0.81 -0.41 -0.44 0.00 0.00 0.00 179.25 179.21 1k9m h ASP 126 N 0.13 0.44 0.08 0.00 3.32 0.53 -1.96 116.42 118.96 1k9m h ASP 126 Ca -0.27 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1k9m h ASP 126 Cb 2.14 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 41.56 1k9m h ASP 126 CO 0.25 0.81 -0.02 -0.09 -1.72 0.00 0.00 179.24 178.47 1k9m h ARG 127 N 0.35 0.00 0.00 3.56 2.43 -0.31 -3.46 114.38 116.95 1k9m h ARG 127 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1k9m h ARG 127 Cb 0.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1k9m h ARG 127 CO 0.07 0.02 0.00 0.41 -1.51 0.00 0.00 179.97 178.96 1k9m n GLY 128 N -1.12 1.59 3.68 2.80 0.00 -0.74 -5.10 105.19 106.31 1k9m n GLY 128 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1k9m n GLY 128 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1k9m n HIS 129 N 0.00 2.14 -3.62 1.61 8.25 -1.17 -5.00 115.22 117.43 1k9m n HIS 129 Ca 0.00 0.56 -0.37 0.00 -0.26 0.00 0.00 57.72 57.66 1k9m n HIS 129 Cb 0.00 -2.40 -0.09 0.00 1.12 0.00 0.00 29.99 28.62 1k9m n HIS 129 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1k9m s GLU 130 N -1.72 4.10 -0.12 -0.41 0.41 -1.26 -4.66 118.70 115.03 1k9m s GLU 130 Ca 0.57 -0.18 -0.32 0.00 -0.41 0.00 0.00 54.97 54.62 1k9m s GLU 130 Cb -0.59 -3.53 0.13 0.00 -1.78 0.00 0.00 34.13 28.36 1k9m s GLU 130 CO 0.61 0.07 1.07 -0.59 -0.49 0.00 0.00 175.26 175.93 1k9m s PHE 131 N 1.03 -0.23 -0.54 1.61 -0.12 -1.26 -1.80 117.98 116.66 1k9m s PHE 131 Ca 0.10 0.19 0.07 0.00 -0.05 0.00 0.00 56.93 57.23 1k9m s PHE 131 Cb -0.13 0.52 0.32 0.00 -0.63 0.00 0.00 43.02 43.09 1k9m s PHE 131 CO 0.04 -0.34 0.86 -0.25 -0.05 0.00 0.00 175.22 175.48 1k9m n ASP 132 N -0.04 3.52 -4.22 1.98 8.00 -0.71 -5.05 116.55 120.03 1k9m n ASP 132 Ca -0.04 -3.48 -0.14 0.00 0.71 0.00 0.00 54.79 51.84 1k9m n ASP 132 Cb 0.60 -0.59 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 1k9m n ASP 132 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1k9m s ARG 133 N -3.01 0.98 -0.19 -1.24 3.52 -1.26 -4.86 118.95 112.90 1k9m s ARG 133 Ca 0.45 -1.34 0.01 0.00 -0.13 0.00 0.00 55.73 54.72 1k9m s ARG 133 Cb 0.26 -0.59 -0.12 0.00 -1.56 0.00 0.00 34.95 32.94 1k9m s ARG 133 CO -0.11 0.08 -0.17 -0.25 -0.81 0.00 0.00 175.30 174.05 1k9m n ASP 134 N 0.08 2.54 -4.87 -2.12 8.00 -1.26 -4.98 116.55 113.94 1k9m n ASP 134 Ca -0.12 -0.09 -0.31 0.00 0.71 0.00 0.00 54.79 54.97 1k9m n ASP 134 Cb 0.59 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 41.36 1k9m n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1k9m s GLU 135 N -2.37 3.84 -0.28 -1.24 2.02 -1.26 -4.71 118.70 114.69 1k9m s GLU 135 Ca -0.25 0.54 -0.25 0.00 0.02 0.00 0.00 54.97 55.03 1k9m s GLU 135 Cb 0.06 -2.38 0.15 0.00 0.10 0.00 0.00 34.13 32.06 1k9m s GLU 135 CO 0.43 -0.01 1.19 0.54 0.02 0.00 0.00 175.26 177.43 1k9m s VAL 136 N -2.31 0.00 0.90 2.63 0.11 -1.26 -4.75 120.40 115.73 1k9m s VAL 136 Ca 0.52 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.46 1k9m s VAL 136 Cb -0.10 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.88 1k9m s VAL 136 CO 0.28 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 170.99 1k9m s PRO 137 N 0.10 1.19 -0.22 1.54 0.04 -1.21 -4.34 135.00 132.10 1k9m s PRO 137 Ca 0.05 0.73 -0.26 0.00 0.04 0.00 0.00 61.00 61.56 1k9m s PRO 137 Cb -0.05 -1.81 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 1k9m s PRO 137 CO -0.10 -2.26 0.90 0.08 0.04 0.00 0.00 177.00 175.66 1k9m s VAL 138 N -2.97 4.80 -0.10 -0.36 1.01 -0.75 -4.93 120.40 117.09 1k9m s VAL 138 Ca 0.63 1.73 -0.04 0.00 0.00 0.00 0.00 61.98 64.30 1k9m s VAL 138 Cb -0.18 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1k9m s VAL 138 CO 0.57 -0.08 0.06 -0.69 0.00 0.00 0.00 175.10 174.95 1k9m s VAL 139 N 2.78 4.78 0.06 2.92 1.01 -1.26 -0.02 120.40 130.67 1k9m s VAL 139 Ca 0.39 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.31 1k9m s VAL 139 Cb -0.16 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1k9m s VAL 139 CO 0.08 0.61 -0.07 -0.69 0.00 0.00 0.00 175.10 175.04 1k9m s VAL 140 N -0.92 0.54 0.61 2.92 1.01 -0.93 -2.38 120.40 121.26 1k9m s VAL 140 Ca 0.14 -1.42 -0.19 0.00 0.00 0.00 0.00 61.98 60.51 1k9m s VAL 140 Cb -0.12 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1k9m s VAL 140 CO 0.03 -0.61 1.26 -0.94 0.00 0.00 0.00 175.10 174.84 1k9m s SER 141 N -2.19 4.91 0.21 3.32 1.04 -0.44 0.13 113.70 120.69 1k9m s SER 141 Ca -0.01 2.53 0.15 0.00 0.48 0.00 0.00 55.95 59.10 1k9m s SER 141 Cb -0.03 -2.61 0.79 0.00 0.10 0.00 0.00 66.02 64.27 1k9m s SER 141 CO -0.02 -1.79 1.45 0.47 0.98 0.00 0.00 173.24 174.33 1k9m n ASP 142 N -1.69 0.38 0.32 7.02 8.00 -1.26 -1.94 116.55 127.38 1k9m n ASP 142 Ca 0.14 0.67 0.20 0.00 0.71 0.00 0.00 54.79 56.52 1k9m n ASP 142 Cb 0.48 -0.72 1.09 0.00 -0.02 0.00 0.00 41.12 41.95 1k9m n ASP 142 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1k9m h ASP 143 N 0.00 0.00 -0.85 -2.24 3.32 -1.97 -1.66 116.42 113.02 1k9m h ASP 143 Ca 0.00 0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.22 1k9m h ASP 143 Cb 0.02 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.46 1k9m h ASP 143 CO 0.00 0.00 0.39 0.15 -1.72 0.00 0.00 179.24 178.06 1k9m h PHE 144 N 0.00 0.66 0.00 4.55 3.57 -1.75 0.88 116.94 124.85 1k9m h PHE 144 Ca 0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1k9m h PHE 144 Cb 0.07 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1k9m h PHE 144 CO 0.00 0.07 0.00 0.39 -2.23 0.00 0.00 178.31 176.54 1k9m n GLU 145 N -4.97 0.00 0.00 1.11 1.02 -0.62 -1.08 120.64 116.10 1k9m n GLU 145 Ca 0.18 0.28 0.08 0.00 -0.02 0.00 0.00 57.16 57.69 1k9m n GLU 145 Cb 0.51 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.34 1k9m n GLU 145 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1k9m n ASP 146 N -1.28 0.84 -4.68 1.62 8.00 0.30 -4.97 116.55 116.39 1k9m n ASP 146 Ca 0.00 -0.92 -0.34 0.00 0.71 0.00 0.00 54.79 54.24 1k9m n ASP 146 Cb 0.00 0.98 0.13 0.00 -0.02 0.00 0.00 41.12 42.20 1k9m n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1k9m n LEU 147 N -1.34 4.18 0.00 0.64 4.77 -0.24 -4.93 117.00 120.09 1k9m n LEU 147 Ca 0.03 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1k9m n LEU 147 Cb 0.27 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 39.87 1k9m n LEU 147 CO 0.34 -1.79 -0.19 0.52 -1.33 0.00 0.00 177.39 174.94 1k9m n VAL 148 N -3.26 0.00 -3.32 4.08 0.31 -1.26 -4.62 118.33 110.27 1k9m n VAL 148 Ca 0.13 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.08 1k9m n VAL 148 Cb 0.50 -0.25 -0.06 0.00 -0.91 0.00 0.00 33.84 33.13 1k9m n VAL 148 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1k9m s LYS 149 N -1.38 4.16 0.09 5.55 -0.14 -1.26 -4.40 119.74 122.36 1k9m s LYS 149 Ca 0.00 0.65 -0.24 0.00 -1.36 0.00 0.00 55.97 55.02 1k9m s LYS 149 Cb 0.00 -3.26 -0.14 0.00 -1.68 0.00 0.00 37.83 32.76 1k9m s LYS 149 CO 0.00 0.59 1.71 1.15 -0.76 0.00 0.00 175.35 178.05 1k9m h THR 150 N 3.71 0.85 -1.06 2.17 2.02 -1.92 -2.63 112.91 116.05 1k9m h THR 150 Ca -0.49 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.00 1k9m h THR 150 Cb 1.21 0.85 -0.13 0.00 -1.74 0.00 0.00 68.15 68.34 1k9m h THR 150 CO 0.64 0.00 0.64 1.56 0.37 0.00 0.00 175.52 178.73 1k9m h GLN 151 N -0.16 0.34 -0.26 6.66 1.08 -1.93 0.59 115.11 121.45 1k9m h GLN 151 Ca 0.00 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.06 1k9m h GLN 151 Cb 0.15 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1k9m h GLN 151 CO -0.01 0.23 -0.34 0.93 -0.95 0.00 0.00 178.83 178.69 1k9m h GLU 152 N 0.35 0.55 -0.10 1.46 5.08 -1.86 -2.12 114.58 117.94 1k9m h GLU 152 Ca 0.70 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.72 1k9m h GLU 152 Cb 1.69 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 1k9m h GLU 152 CO -0.49 0.82 -0.33 0.28 -1.00 0.00 0.00 179.01 178.29 1k9m h VAL 153 N 0.47 1.27 0.50 3.13 2.07 0.26 -2.40 116.25 121.55 1k9m h VAL 153 Ca 0.05 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 1k9m h VAL 153 Cb 0.81 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1k9m h VAL 153 CO 0.07 0.39 -0.24 0.58 0.02 0.00 0.00 177.57 178.38 1k9m h VAL 154 N 0.18 0.49 -0.44 2.57 2.07 -0.79 -0.45 116.25 119.87 1k9m h VAL 154 Ca 0.02 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 67.45 1k9m h VAL 154 Cb 0.68 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 30.93 1k9m h VAL 154 CO 0.05 0.03 -0.17 0.28 0.02 0.00 0.00 177.57 177.78 1k9m h SER 155 N -0.78 -0.60 -0.79 0.57 0.02 -1.24 0.34 113.55 111.06 1k9m h SER 155 Ca -0.07 0.15 0.14 0.00 -0.84 0.00 0.00 61.79 61.17 1k9m h SER 155 Cb 0.57 0.35 -0.09 0.00 0.14 0.00 0.00 62.40 63.36 1k9m h SER 155 CO 0.11 -0.21 0.37 0.25 -1.14 0.00 0.00 176.83 176.22 1k9m h LEU 156 N -0.08 0.42 -0.82 5.07 5.85 -1.29 0.72 115.31 125.18 1k9m h LEU 156 Ca 0.21 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.91 1k9m h LEU 156 Cb 0.41 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1k9m h LEU 156 CO -0.50 0.18 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.34 1k9m h LEU 157 N 0.55 0.46 -0.79 2.25 3.38 0.11 -0.75 115.31 120.52 1k9m h LEU 157 Ca 0.43 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 1k9m h LEU 157 Cb 0.60 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1k9m h LEU 157 CO -0.36 0.79 -0.43 -0.33 0.09 0.00 0.00 178.44 178.20 1k9m h GLU 158 N 0.37 0.00 0.00 1.13 5.08 0.83 -1.27 114.58 120.72 1k9m h GLU 158 Ca 0.04 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.21 1k9m h GLU 158 Cb 0.82 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 1k9m h GLU 158 CO 0.07 0.43 -0.91 0.00 -1.00 0.00 0.00 179.01 177.59 1k9m h ALA 159 N 1.57 0.50 -0.39 3.43 0.00 -0.48 -3.02 119.26 120.88 1k9m h ALA 159 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1k9m h ALA 159 Cb 0.99 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1k9m h ALA 159 CO 0.06 1.13 0.00 1.28 0.00 0.00 0.00 179.25 181.71 1k9m n LEU 160 N -3.46 2.12 -3.90 0.00 4.77 -0.33 -4.90 117.00 111.29 1k9m n LEU 160 Ca -0.00 -1.05 -0.29 0.00 -0.03 0.00 0.00 56.01 54.64 1k9m n LEU 160 Cb 0.86 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 41.72 1k9m n LEU 160 CO 0.46 0.52 0.06 0.47 -1.33 0.00 0.00 177.39 177.57 1k9m n ASP 161 N 0.65 -3.96 0.00 -1.43 8.00 -1.01 -4.83 116.55 113.97 1k9m n ASP 161 Ca 0.14 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.83 1k9m n ASP 161 Cb 0.34 -3.82 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 1k9m n ASP 161 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1k9m n VAL 162 N -4.60 0.00 0.31 2.53 0.31 -0.51 -1.74 118.33 114.63 1k9m n VAL 162 Ca -0.03 -0.38 0.18 0.00 -0.01 0.00 0.00 64.34 64.11 1k9m n VAL 162 Cb 0.55 1.09 1.00 0.00 -0.91 0.00 0.00 33.84 35.57 1k9m n VAL 162 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1k9m h HIS 163 N 0.00 0.00 -0.26 3.52 6.17 -1.79 -2.37 115.15 120.43 1k9m h HIS 163 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 60.37 61.15 1k9m h HIS 163 Cb 0.04 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 29.96 1k9m h HIS 163 CO 0.00 0.02 0.19 0.00 0.71 0.00 0.00 177.93 178.85 1k9m h ALA 164 N 1.98 2.23 -0.43 5.26 0.00 -1.85 -1.12 119.26 125.33 1k9m h ALA 164 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1k9m h ALA 164 Cb 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1k9m h ALA 164 CO 0.00 -0.32 0.01 0.22 0.00 0.00 0.00 179.25 179.16 1k9m h ASP 165 N 0.00 0.73 0.18 0.00 3.58 -0.79 -1.45 116.42 118.67 1k9m h ASP 165 Ca 0.12 -0.30 -0.07 0.00 0.42 0.00 0.00 57.03 57.20 1k9m h ASP 165 Cb 0.49 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1k9m h ASP 165 CO -0.00 0.86 -0.27 0.40 -2.88 0.00 0.00 179.24 177.34 1k9m h ILE 166 N 0.59 1.23 -0.92 2.25 2.04 -1.40 -0.15 117.51 121.14 1k9m h ILE 166 Ca 0.12 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 1k9m h ILE 166 Cb 0.48 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 1k9m h ILE 166 CO 0.02 0.33 0.54 0.44 0.00 0.00 0.00 178.15 179.48 1k9m h ASP 167 N 0.15 1.13 0.33 1.72 3.45 -0.79 -1.75 116.42 120.66 1k9m h ASP 167 Ca 0.02 -0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.38 1k9m h ASP 167 Cb 0.57 -0.29 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 1k9m h ASP 167 CO 0.04 0.88 -0.16 -0.09 -1.57 0.00 0.00 179.24 178.34 1k9m h ARG 168 N 1.28 -0.43 0.00 3.56 2.43 -0.02 -2.20 114.38 119.00 1k9m h ARG 168 Ca 0.33 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1k9m h ARG 168 Cb -0.02 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1k9m h ARG 168 CO -0.06 -0.29 0.00 0.00 -1.51 0.00 0.00 179.97 178.11 1k9m n ALA 169 N -2.29 2.27 -1.12 2.80 0.00 -0.64 -3.78 120.51 117.75 1k9m n ALA 169 Ca -0.10 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 1k9m n ALA 169 Cb 0.20 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 1k9m n ALA 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1k9m n ASP 170 N -0.76 6.41 -3.60 0.00 4.64 -0.68 -4.29 116.55 118.28 1k9m n ASP 170 Ca 0.09 -3.08 -0.12 0.00 -1.38 0.00 0.00 54.79 50.29 1k9m n ASP 170 Cb 0.04 -1.14 -0.11 0.00 -1.04 0.00 0.00 41.12 38.86 1k9m n ASP 170 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1k9m s GLU 171 N -1.63 0.23 0.26 -0.67 2.02 -1.25 -5.05 118.70 112.61 1k9m s GLU 171 Ca 0.43 0.74 -0.09 0.00 0.02 0.00 0.00 54.97 56.07 1k9m s GLU 171 Cb 0.30 -0.12 -0.07 0.00 0.10 0.00 0.00 34.13 34.34 1k9m s GLU 171 CO -0.08 -0.37 0.58 0.95 0.02 0.00 0.00 175.26 176.36 1k9m s THR 172 N 2.48 4.92 -0.17 3.63 -4.23 -1.26 -4.43 115.64 116.58 1k9m s THR 172 Ca 0.03 0.43 -0.03 0.00 -1.18 0.00 0.00 61.69 60.93 1k9m s THR 172 Cb -0.13 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.04 1k9m s THR 172 CO -0.11 -0.17 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.00 1k9m s LYS 173 N -3.07 3.54 -0.49 3.99 2.20 0.88 -4.96 119.74 121.82 1k9m s LYS 173 Ca 0.47 -0.58 -0.19 0.00 -0.36 0.00 0.00 55.97 55.32 1k9m s LYS 173 Cb -0.11 -2.91 0.05 0.00 -1.51 0.00 0.00 37.83 33.36 1k9m s LYS 173 CO 0.24 0.10 0.61 0.42 -0.36 0.00 0.00 175.35 176.35 1k9m s ILE 174 N 0.72 4.89 0.60 5.43 1.01 -1.26 -1.72 121.20 130.88 1k9m s ILE 174 Ca -0.02 -0.43 -0.19 0.00 0.00 0.00 0.00 60.65 60.01 1k9m s ILE 174 Cb -0.15 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 1k9m s ILE 174 CO 0.02 -0.75 1.05 0.29 0.00 0.00 0.00 174.94 175.54 1k9m n LYS 175 N 6.12 0.99 -3.09 2.79 5.02 -0.35 -5.01 118.16 124.64 1k9m n LYS 175 Ca -0.06 0.38 -0.39 0.00 -2.02 0.00 0.00 58.31 56.22 1k9m n LYS 175 Cb 0.46 -2.25 -0.06 0.00 -0.02 0.00 0.00 35.03 33.16 1k9m n LYS 175 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k9m s ALA 176 N -1.47 3.45 0.00 7.82 0.00 -1.26 -4.90 121.76 125.40 1k9m s ALA 176 Ca 0.77 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1k9m s ALA 176 Cb -0.41 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1k9m s ALA 176 CO 0.46 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.83 1k9m n GLY 177 N 2.10 2.61 0.00 0.00 0.00 -1.26 -4.80 105.19 103.84 1k9m n GLY 177 Ca -0.06 -2.03 0.11 0.00 0.00 0.00 0.00 46.02 44.04 1k9m n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k9m n GLN 178 N -0.17 0.61 -0.01 1.61 6.02 -1.26 -3.16 117.38 121.02 1k9m n GLN 178 Ca 0.00 0.02 0.19 0.00 -0.01 0.00 0.00 57.00 57.20 1k9m n GLN 178 Cb 0.00 -1.50 0.66 0.00 1.02 0.00 0.00 30.24 30.42 1k9m n GLN 178 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1k9m h GLY 179 N 3.43 0.10 -0.45 1.08 0.00 -1.87 -0.22 103.07 105.15 1k9m h GLY 179 Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 47.33 47.43 1k9m h GLY 179 CO 0.00 0.01 -0.26 0.23 0.00 0.00 0.00 176.54 176.52 1k9m h SER 180 N 0.06 -0.93 0.25 0.19 0.87 -1.66 0.52 113.55 112.86 1k9m h SER 180 Ca 0.26 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1k9m h SER 180 Cb 0.95 0.52 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 1k9m h SER 180 CO -0.02 -0.27 0.00 0.00 -0.53 0.00 0.00 176.83 176.01 1k9m n ALA 181 N -3.18 1.29 -0.71 6.23 0.00 -0.09 -1.43 120.51 122.61 1k9m n ALA 181 Ca 0.07 0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.63 1k9m n ALA 181 Cb 0.36 -1.20 0.22 0.00 0.00 0.00 0.00 19.45 18.84 1k9m n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k9m n ARG 182 N -1.79 2.87 -0.67 0.00 1.74 0.17 -4.95 116.66 114.04 1k9m n ARG 182 Ca 0.01 -2.55 0.00 0.00 -0.77 0.00 0.00 57.85 54.53 1k9m n ARG 182 Cb 0.09 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 1k9m n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k9m n GLY 183 N -0.20 0.62 2.55 -0.13 0.00 -0.52 -4.97 105.19 102.53 1k9m n GLY 183 Ca 0.18 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 1k9m n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k9m n ARG 184 N -2.67 3.29 -0.16 1.61 1.74 -0.39 -4.81 116.66 115.27 1k9m n ARG 184 Ca 0.00 -4.28 -0.10 0.00 -0.77 0.00 0.00 57.85 52.70 1k9m n ARG 184 Cb 0.00 -2.26 0.02 0.00 -1.02 0.00 0.00 32.46 29.20 1k9m n ARG 184 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1k9m h LYS 185 N 2.64 0.99 -6.14 5.56 3.64 -1.75 -3.33 116.57 118.17 1k9m h LYS 185 Ca 0.36 -0.39 -0.52 0.00 -1.27 0.00 0.00 60.65 58.83 1k9m h LYS 185 Cb 0.76 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 1k9m h LYS 185 CO 0.98 1.07 -0.49 0.71 -2.27 0.00 0.00 179.45 179.44 1k9m s TYR 186 N -4.75 2.80 -0.26 1.91 1.51 -1.26 -1.21 117.35 116.09 1k9m s TYR 186 Ca -0.11 -0.34 -0.26 0.00 -1.01 0.00 0.00 57.07 55.35 1k9m s TYR 186 Cb 0.13 -1.72 0.11 0.00 -0.11 0.00 0.00 41.96 40.37 1k9m s TYR 186 CO 0.86 0.26 0.95 -0.98 -1.11 0.00 0.00 175.55 175.53 1k9m s ARG 187 N -3.92 0.61 0.03 -0.62 1.04 -0.70 -4.89 118.95 110.50 1k9m s ARG 187 Ca 0.39 0.64 -0.01 0.00 -1.04 0.00 0.00 55.73 55.70 1k9m s ARG 187 Cb -0.04 0.29 -0.02 0.00 -2.04 0.00 0.00 34.95 33.14 1k9m s ARG 187 CO 0.25 -0.09 -0.01 -0.98 -0.04 0.00 0.00 175.30 174.43 1k9m s ARG 188 N 0.09 0.42 0.66 3.89 1.70 -1.26 -0.09 118.95 124.36 1k9m s ARG 188 Ca 0.02 -0.75 -0.17 0.00 -0.47 0.00 0.00 55.73 54.35 1k9m s ARG 188 Cb -0.04 0.15 -0.03 0.00 -0.57 0.00 0.00 34.95 34.46 1k9m s ARG 188 CO -0.03 -0.08 0.85 -2.30 -1.08 0.00 0.00 175.30 172.65 1k9m n PRO 189 N 1.16 0.62 -3.26 3.89 -0.02 -1.26 -4.95 135.00 131.18 1k9m n PRO 189 Ca -0.21 0.26 -0.38 0.00 -2.02 0.00 0.00 63.50 61.14 1k9m n PRO 189 Cb 0.57 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 1k9m n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k9m s ALA 190 N -1.70 3.45 0.00 3.55 0.00 -1.26 -4.44 121.76 121.35 1k9m s ALA 190 Ca 0.73 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1k9m s ALA 190 Cb -0.38 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1k9m s ALA 190 CO 0.50 -0.01 0.00 -1.13 0.00 0.00 0.00 175.76 175.12 1k9m n SER 191 N 3.65 0.00 -4.78 0.00 3.41 0.24 -4.94 113.62 111.20 1k9m n SER 191 Ca -0.06 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.17 1k9m n SER 191 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.40 1k9m n SER 191 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1k9m s ILE 192 N 3.17 4.39 -0.24 -1.33 1.01 -1.25 -4.52 121.20 122.43 1k9m s ILE 192 Ca 0.00 1.63 -0.08 0.00 0.00 0.00 0.00 60.65 62.20 1k9m s ILE 192 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1k9m s ILE 192 CO 0.00 0.43 0.10 -0.22 0.00 0.00 0.00 174.94 175.25 1k9m s LEU 193 N -1.38 3.71 -0.25 2.97 2.96 -1.04 -1.67 118.68 123.97 1k9m s LEU 193 Ca 0.38 -0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 54.13 1k9m s LEU 193 Cb -0.22 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1k9m s LEU 193 CO 0.25 0.02 0.12 -0.36 -1.32 0.00 0.00 176.35 175.07 1k9m s PHE 194 N 1.29 3.17 -0.33 5.38 0.40 0.47 -1.44 117.98 126.92 1k9m s PHE 194 Ca 0.06 -0.10 -0.04 0.00 -0.60 0.00 0.00 56.93 56.24 1k9m s PHE 194 Cb -0.15 -2.28 0.05 0.00 0.51 0.00 0.00 43.02 41.16 1k9m s PHE 194 CO 0.05 -0.19 0.08 0.08 0.70 0.00 0.00 175.22 175.93 1k9m s VAL 195 N 1.49 3.46 0.00 -0.44 1.01 -0.58 0.53 120.40 125.87 1k9m s VAL 195 Ca 0.06 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1k9m s VAL 195 Cb -0.15 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1k9m s VAL 195 CO 0.06 -0.20 0.00 0.35 0.00 0.00 0.00 175.10 175.32 1k9m n THR 196 N 4.73 0.00 0.00 3.92 -2.24 -0.79 -2.01 114.28 117.88 1k9m n THR 196 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1k9m n THR 196 Cb 0.44 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1k9m n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1k9m n SER 197 N 0.00 1.99 -0.01 3.42 2.88 -1.26 -1.74 113.62 118.91 1k9m n SER 197 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 1k9m n SER 197 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 1k9m n SER 197 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1k9m h ASP 198 N 0.00 0.33 -5.01 -3.46 3.32 -1.99 -3.43 116.42 106.18 1k9m h ASP 198 Ca 0.00 -0.83 -0.06 0.00 0.02 0.00 0.00 57.03 56.16 1k9m h ASP 198 Cb 0.79 -0.11 -0.17 0.00 0.22 0.00 0.00 39.33 40.06 1k9m h ASP 198 CO 0.00 1.61 0.09 -1.61 -1.72 0.00 0.00 179.24 177.61 1k9m s GLU 199 N -2.46 1.03 0.50 3.56 2.02 -1.26 -5.12 118.70 116.96 1k9m s GLU 199 Ca -0.21 -0.04 -0.22 0.00 0.02 0.00 0.00 54.97 54.51 1k9m s GLU 199 Cb 0.05 0.48 -0.08 0.00 0.10 0.00 0.00 34.13 34.68 1k9m s GLU 199 CO 0.74 -0.35 1.13 -2.30 0.02 0.00 0.00 175.26 174.50 1k9m n PRO 200 N 0.64 1.43 -1.95 0.39 -0.02 -1.26 -4.78 135.00 129.45 1k9m n PRO 200 Ca -0.19 0.52 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 1k9m n PRO 200 Cb 0.59 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 1k9m n PRO 200 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1k9m s SER 201 N -0.87 5.80 0.39 2.55 0.15 -1.26 -4.81 113.70 115.64 1k9m s SER 201 Ca 0.68 1.33 0.19 0.00 0.70 0.00 0.00 55.95 58.85 1k9m s SER 201 Cb -0.48 -2.52 0.75 0.00 -1.71 0.00 0.00 66.02 62.06 1k9m s SER 201 CO 0.53 -1.78 1.77 0.74 1.20 0.00 0.00 173.24 175.70 1k9m h THR 202 N 6.86 0.88 0.00 6.45 2.02 -1.90 -2.05 112.91 125.17 1k9m h THR 202 Ca -0.34 -1.42 -0.15 0.00 0.77 0.00 0.00 66.41 65.27 1k9m h THR 202 Cb 1.18 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 69.43 1k9m h THR 202 CO 1.03 0.34 -0.72 0.00 0.37 0.00 0.00 175.52 176.55 1k9m h ALA 203 N 1.65 0.79 0.00 6.16 0.00 -1.82 -3.34 119.26 122.70 1k9m h ALA 203 Ca -0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 54.91 54.09 1k9m h ALA 203 Cb 0.83 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1k9m h ALA 203 CO 0.05 0.90 -1.90 0.00 0.00 0.00 0.00 179.25 178.30 1k9m n ALA 204 N -2.39 2.13 -0.23 0.00 0.00 -1.12 -3.64 120.51 115.26 1k9m n ALA 204 Ca -0.01 -0.77 0.03 0.00 0.00 0.00 0.00 53.44 52.70 1k9m n ALA 204 Cb 0.71 -0.65 0.15 0.00 0.00 0.00 0.00 19.45 19.65 1k9m n ALA 204 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1k9m h ARG 205 N 0.00 0.24 0.00 0.00 0.11 -1.50 -1.16 114.38 112.08 1k9m h ARG 205 Ca -0.22 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.85 1k9m h ARG 205 Cb 1.56 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.58 1k9m h ARG 205 CO 0.02 0.16 0.00 -1.71 0.10 0.00 0.00 179.97 178.54 1k9m n ASN 206 N -5.16 0.00 -4.75 0.08 5.15 -1.26 -4.60 115.26 104.71 1k9m n ASN 206 Ca 0.12 -0.33 -0.41 0.00 -0.60 0.00 0.00 54.58 53.35 1k9m n ASN 206 Cb 0.40 -0.10 -0.02 0.00 -0.53 0.00 0.00 39.78 39.53 1k9m n ASN 206 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1k9m s LEU 207 N -2.19 4.37 -0.26 1.20 1.43 -0.44 -4.85 118.68 117.93 1k9m s LEU 207 Ca 0.22 2.79 -0.40 0.00 -1.03 0.00 0.00 54.13 55.71 1k9m s LEU 207 Cb 0.11 -3.64 -0.15 0.00 0.03 0.00 0.00 46.19 42.55 1k9m s LEU 207 CO 0.21 -0.75 1.76 0.00 0.23 0.00 0.00 176.35 177.80 1k9m n ALA 208 N 1.82 -0.08 -0.97 4.21 0.00 -1.26 -0.20 120.51 124.04 1k9m n ALA 208 Ca 0.05 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1k9m n ALA 208 Cb 0.40 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1k9m n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9m n GLY 209 N 4.23 0.28 3.86 0.00 0.00 -1.26 -4.58 105.19 107.71 1k9m n GLY 209 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 1k9m n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9m s ALA 210 N -1.61 3.42 -0.01 4.61 0.00 0.73 0.80 121.76 129.69 1k9m s ALA 210 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 51.89 1k9m s ALA 210 Cb 0.00 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.48 1k9m s ALA 210 CO 0.00 0.37 -0.10 -0.51 0.00 0.00 0.00 175.76 175.52 1k9m s ASP 211 N -2.39 1.13 0.05 0.00 1.01 -0.67 -4.83 116.67 110.98 1k9m s ASP 211 Ca 0.51 -0.17 0.06 0.00 0.71 0.00 0.00 52.55 53.66 1k9m s ASP 211 Cb -0.11 -0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 1k9m s ASP 211 CO 0.20 0.12 -0.11 0.68 0.21 0.00 0.00 175.17 176.27 1k9m s VAL 212 N -0.21 3.33 0.32 -1.27 -7.23 -1.26 -0.40 120.40 113.68 1k9m s VAL 212 Ca 0.03 -1.07 -0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1k9m s VAL 212 Cb -0.04 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1k9m s VAL 212 CO -0.00 0.27 0.42 0.00 -0.31 0.00 0.00 175.10 175.48 1k9m n ALA 213 N 1.22 -0.15 -2.63 1.32 0.00 0.19 -4.90 120.51 115.56 1k9m n ALA 213 Ca -0.15 -1.56 -0.21 0.00 0.00 0.00 0.00 53.44 51.52 1k9m n ALA 213 Cb 0.52 1.26 -0.14 0.00 0.00 0.00 0.00 19.45 21.09 1k9m n ALA 213 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1k9m s THR 214 N -2.87 1.08 0.47 0.00 2.01 -1.26 -1.89 115.64 113.19 1k9m s THR 214 Ca 0.29 -0.84 0.21 0.00 0.31 0.00 0.00 61.69 61.65 1k9m s THR 214 Cb -0.00 -0.95 0.38 0.00 0.01 0.00 0.00 72.50 71.94 1k9m s THR 214 CO 0.21 0.11 1.94 0.00 -0.69 0.00 0.00 174.62 176.18 1k9m h ALA 215 N 5.25 2.32 0.00 7.40 0.00 -1.61 0.31 119.26 132.93 1k9m h ALA 215 Ca -0.36 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1k9m h ALA 215 Cb 1.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1k9m h ALA 215 CO 0.46 -0.52 -0.72 0.66 0.00 0.00 0.00 179.25 179.13 1k9m h SER 216 N 0.23 0.00 0.00 0.00 4.64 -1.88 -3.37 113.55 113.17 1k9m h SER 216 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1k9m h SER 216 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1k9m h SER 216 CO -0.07 0.72 -0.18 -1.84 -0.87 0.00 0.00 176.83 174.58 1k9m n GLU 217 N -3.48 0.89 -2.10 4.77 0.28 -1.00 -5.05 120.64 114.95 1k9m n GLU 217 Ca -0.00 -1.73 -0.41 0.00 -0.16 0.00 0.00 57.16 54.86 1k9m n GLU 217 Cb 0.75 -1.01 -0.02 0.00 1.43 0.00 0.00 31.44 32.59 1k9m n GLU 217 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1k9m s VAL 218 N -1.41 2.70 0.48 3.84 0.11 0.06 -4.87 120.40 121.31 1k9m s VAL 218 Ca 0.15 0.70 0.00 0.00 -2.93 0.00 0.00 61.98 59.89 1k9m s VAL 218 Cb 0.13 -3.44 -0.00 0.00 -1.53 0.00 0.00 36.38 31.53 1k9m s VAL 218 CO 0.01 0.16 0.00 -0.46 -3.33 0.00 0.00 175.10 171.49 1k9m n ASN 219 N 0.86 3.33 -0.09 3.54 0.23 -1.26 -5.03 115.26 116.84 1k9m n ASN 219 Ca 0.00 -3.12 0.04 0.00 -0.53 0.00 0.00 54.58 50.98 1k9m n ASN 219 Cb 0.42 0.34 0.38 0.00 -2.08 0.00 0.00 39.78 38.83 1k9m n ASN 219 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1k9m h THR 220 N 1.25 1.09 0.61 5.53 2.02 -1.91 -1.88 112.91 119.62 1k9m h THR 220 Ca -0.40 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 1k9m h THR 220 Cb 1.21 0.34 0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1k9m h THR 220 CO 0.67 0.13 -0.30 -0.33 0.37 0.00 0.00 175.52 176.06 1k9m h GLU 221 N 0.69 -0.79 -0.19 6.66 5.08 -1.92 0.43 114.58 124.54 1k9m h GLU 221 Ca 0.22 0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 1k9m h GLU 221 Cb 0.04 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1k9m h GLU 221 CO -0.06 -0.50 -0.19 0.38 -1.00 0.00 0.00 179.01 177.64 1k9m h ASP 222 N -0.90 0.31 0.01 1.42 3.04 -1.96 0.38 116.42 118.71 1k9m h ASP 222 Ca -0.08 -0.08 -0.16 0.00 -3.24 0.00 0.00 57.03 53.46 1k9m h ASP 222 Cb 0.66 -0.08 -0.01 0.00 -1.04 0.00 0.00 39.33 38.86 1k9m h ASP 222 CO 0.14 0.52 -0.55 -0.07 -2.04 0.00 0.00 179.24 177.24 1k9m h LEU 223 N 0.29 0.64 -6.00 0.15 4.07 -1.24 -3.38 115.31 109.84 1k9m h LEU 223 Ca 0.05 -0.34 -0.56 0.00 0.08 0.00 0.00 57.88 57.12 1k9m h LEU 223 Cb 0.51 -0.18 -0.39 0.00 1.08 0.00 0.00 40.66 41.68 1k9m h LEU 223 CO 0.03 1.06 -1.10 0.00 -1.08 0.00 0.00 178.44 177.35 1k9m n ALA 224 N -2.52 2.44 -1.59 1.53 0.00 0.15 -3.54 120.51 116.98 1k9m n ALA 224 Ca -0.03 -3.43 -0.47 0.00 0.00 0.00 0.00 53.44 49.51 1k9m n ALA 224 Cb 0.60 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 1k9m n ALA 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1k9m n PRO 225 N 1.34 1.32 -1.56 0.00 -0.04 0.13 -0.81 135.00 135.37 1k9m n PRO 225 Ca 0.21 0.47 -0.14 0.00 -0.04 0.00 0.00 63.50 64.00 1k9m n PRO 225 Cb 0.53 -1.96 -0.05 0.00 -0.04 0.00 0.00 33.50 31.99 1k9m n PRO 225 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k9m n GLY 226 N 1.86 1.19 2.84 0.55 0.00 -1.26 -2.26 105.19 108.11 1k9m n GLY 226 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1k9m n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9m n GLY 227 N -1.19 0.50 3.59 -0.02 0.00 0.01 -4.99 105.19 103.08 1k9m n GLY 227 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1k9m n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9m s ALA 228 N -2.33 3.52 0.50 4.61 0.00 -0.96 -4.25 121.76 122.85 1k9m s ALA 228 Ca 0.00 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 1k9m s ALA 228 Cb 0.00 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 1k9m s ALA 228 CO 0.00 -1.12 1.05 -2.14 0.00 0.00 0.00 175.76 173.55 1k9m s PRO 229 N 2.60 3.73 0.00 0.00 0.02 -1.26 -4.02 135.00 136.07 1k9m s PRO 229 Ca 0.24 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.62 1k9m s PRO 229 Cb -0.15 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.29 1k9m s PRO 229 CO 0.12 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.71 1k9m n GLY 230 N -0.29 0.73 3.74 0.52 0.00 -1.26 -4.65 105.19 103.97 1k9m n GLY 230 Ca 0.09 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 1k9m n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k9m s ARG 231 N -2.32 4.16 -0.56 1.61 3.52 -1.23 -4.09 118.95 120.03 1k9m s ARG 231 Ca 0.00 -0.03 -0.27 0.00 -0.13 0.00 0.00 55.73 55.30 1k9m s ARG 231 Cb 0.00 -3.40 -0.10 0.00 -1.56 0.00 0.00 34.95 29.90 1k9m s ARG 231 CO 0.00 0.32 2.45 -0.11 -0.81 0.00 0.00 175.30 177.15 1k9m n LEU 232 N 3.37 2.01 -4.75 -0.88 7.94 -1.26 -4.80 117.00 118.62 1k9m n LEU 232 Ca -0.14 -0.36 -0.22 0.00 -1.11 0.00 0.00 56.01 54.18 1k9m n LEU 232 Cb 0.52 -1.47 -0.06 0.00 0.53 0.00 0.00 43.42 42.95 1k9m n LEU 232 CO 0.38 -1.39 -0.21 -0.89 -1.11 0.00 0.00 177.39 174.17 1k9m s THR 233 N 11.50 3.63 -0.22 1.96 2.01 -1.26 -2.51 115.64 130.75 1k9m s THR 233 Ca 1.05 -1.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.39 1k9m s THR 233 Cb -0.37 -3.10 0.07 0.00 0.01 0.00 0.00 72.50 69.12 1k9m s THR 233 CO 0.31 -0.28 0.08 0.54 -0.69 0.00 0.00 174.62 174.58 1k9m s VAL 234 N -2.29 0.21 0.73 3.82 0.11 -0.52 -1.82 120.40 120.64 1k9m s VAL 234 Ca 0.35 -0.56 -0.04 0.00 -2.93 0.00 0.00 61.98 58.80 1k9m s VAL 234 Cb -0.06 -0.93 0.11 0.00 -1.53 0.00 0.00 36.38 33.97 1k9m s VAL 234 CO 0.23 -0.40 1.02 -0.36 -3.33 0.00 0.00 175.10 172.25 1k9m s PHE 235 N 1.98 2.08 0.02 1.54 0.40 0.97 -1.53 117.98 123.44 1k9m s PHE 235 Ca 0.03 0.02 0.05 0.00 -0.60 0.00 0.00 56.93 56.43 1k9m s PHE 235 Cb -0.16 -3.18 -0.03 0.00 0.51 0.00 0.00 43.02 40.16 1k9m s PHE 235 CO -0.17 -1.66 -0.12 -0.08 0.70 0.00 0.00 175.22 173.90 1k9m s THR 236 N -3.22 3.27 0.11 0.64 -1.32 -0.85 -2.18 115.64 112.08 1k9m s THR 236 Ca 0.65 -0.95 -0.17 0.00 -1.21 0.00 0.00 61.69 60.00 1k9m s THR 236 Cb -0.07 -2.41 0.01 0.00 -1.51 0.00 0.00 72.50 68.52 1k9m s THR 236 CO 0.45 0.37 0.98 1.21 -2.21 0.00 0.00 174.62 175.41 1k9m n GLU 237 N 1.55 -0.24 -0.13 7.08 4.07 0.34 0.47 120.64 133.78 1k9m n GLU 237 Ca -0.16 0.96 -0.09 0.00 -0.06 0.00 0.00 57.16 57.81 1k9m n GLU 237 Cb 0.52 -1.42 0.04 0.00 -0.06 0.00 0.00 31.44 30.53 1k9m n GLU 237 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1k9m h SER 238 N 0.00 0.91 0.25 4.31 0.02 -1.95 -3.03 113.55 114.06 1k9m h SER 238 Ca 0.13 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1k9m h SER 238 Cb 0.29 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1k9m h SER 238 CO -0.60 1.09 -0.19 0.00 -1.14 0.00 0.00 176.83 175.98 1k9m h ALA 239 N 0.98 -0.43 -0.91 3.77 0.00 -0.54 -1.21 119.26 120.92 1k9m h ALA 239 Ca 0.10 -0.07 0.24 0.00 0.00 0.00 0.00 54.91 55.18 1k9m h ALA 239 Cb 0.76 0.26 -0.13 0.00 0.00 0.00 0.00 17.79 18.68 1k9m h ALA 239 CO 0.06 -0.76 0.40 1.25 0.00 0.00 0.00 179.25 180.20 1k9m h LEU 240 N -0.45 0.31 -0.42 0.00 6.46 0.10 0.25 115.31 121.57 1k9m h LEU 240 Ca -0.01 0.17 -0.12 0.00 -0.12 0.00 0.00 57.88 57.79 1k9m h LEU 240 Cb 0.40 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1k9m h LEU 240 CO -0.01 -0.04 -0.22 0.00 -0.62 0.00 0.00 178.44 177.54 1k9m h ALA 241 N 1.74 0.59 0.10 1.25 0.00 -1.32 -3.15 119.26 118.46 1k9m h ALA 241 Ca 0.59 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1k9m h ALA 241 Cb 1.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1k9m h ALA 241 CO -0.56 0.57 -0.05 0.93 0.00 0.00 0.00 179.25 180.14 1k9m h GLU 242 N 0.71 -0.13 -0.97 0.00 5.08 0.19 -2.99 114.58 116.46 1k9m h GLU 242 Ca 0.09 0.01 0.31 0.00 -1.00 0.00 0.00 59.36 58.77 1k9m h GLU 242 Cb 0.79 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 29.92 1k9m h GLU 242 CO 0.07 0.11 0.44 0.28 -1.00 0.00 0.00 179.01 178.90 1k9m h VAL 243 N -0.35 0.23 -1.27 3.13 2.07 -1.16 -0.91 116.25 118.00 1k9m h VAL 243 Ca -0.01 -0.08 0.38 0.00 0.82 0.00 0.00 66.70 67.82 1k9m h VAL 243 Cb 0.29 -0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 29.95 1k9m h VAL 243 CO 0.02 0.04 0.84 0.00 0.02 0.00 0.00 177.57 178.49 1k9m h ALA 244 N 1.87 2.71 -0.01 1.67 0.00 -1.48 -0.06 119.26 123.96 1k9m h ALA 244 Ca 0.70 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.67 1k9m h ALA 244 Cb 1.59 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1k9m h ALA 244 CO -0.67 -1.24 -0.23 0.39 0.00 0.00 0.00 179.25 177.51 1k9m n GLU 245 N -4.56 1.16 0.00 0.00 1.02 -0.34 -4.71 120.64 113.21 1k9m n GLU 245 Ca 0.33 -0.76 0.13 0.00 -0.02 0.00 0.00 57.16 56.84 1k9m n GLU 245 Cb 1.29 -1.48 0.79 0.00 -0.02 0.00 0.00 31.44 32.01 1k9m n GLU 245 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85