#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m s ASP 2 N 0.00 3.37 -0.07 3.42 -1.08 -1.26 -5.02 116.67 116.03 1k9m s ASP 2 Ca 0.00 -1.16 0.20 0.00 -0.52 0.00 0.00 52.55 51.07 1k9m s ASP 2 Cb 0.00 -0.65 0.68 0.00 -1.46 0.00 0.00 42.92 41.49 1k9m s ASP 2 CO 0.00 -0.36 1.59 0.18 0.52 0.00 0.00 175.17 177.09 1k9m n LEU 3 N 5.01 4.42 -0.27 -1.34 4.77 -1.26 -4.54 117.00 123.78 1k9m n LEU 3 Ca -0.06 -2.28 0.08 0.00 -0.03 0.00 0.00 56.01 53.71 1k9m n LEU 3 Cb 0.45 -0.54 0.31 0.00 -2.33 0.00 0.00 43.42 41.32 1k9m n LEU 3 CO 0.11 0.87 1.23 0.77 -1.33 0.00 0.00 177.39 179.04 1k9m h SER 4 N 4.07 0.76 -0.23 -1.43 4.64 -1.99 -0.02 113.55 119.35 1k9m h SER 4 Ca 0.00 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1k9m h SER 4 Cb 1.27 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1k9m h SER 4 CO 0.14 0.45 -0.01 0.00 -0.87 0.00 0.00 176.83 176.54 1k9m h ALA 5 N 1.57 0.31 -0.55 5.18 0.00 -2.01 -2.19 119.26 121.57 1k9m h ALA 5 Ca 0.41 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1k9m h ALA 5 Cb 0.44 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1k9m h ALA 5 CO -0.17 0.05 0.29 1.96 0.00 0.00 0.00 179.25 181.38 1k9m h GLN 6 N 0.17 0.54 -0.45 0.00 7.50 -1.71 -0.95 115.11 120.22 1k9m h GLN 6 Ca 0.06 -0.03 0.09 0.00 0.50 0.00 0.00 58.65 59.27 1k9m h GLN 6 Cb 0.43 -0.12 -0.08 0.00 0.05 0.00 0.00 27.48 27.76 1k9m h GLN 6 CO 0.01 0.36 -0.04 0.87 -1.50 0.00 0.00 178.83 178.53 1k9m h LYS 7 N 0.56 0.06 -0.95 1.46 1.79 -0.82 0.70 116.57 119.38 1k9m h LYS 7 Ca 0.24 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1k9m h LYS 7 Cb 0.13 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.72 1k9m h LYS 7 CO -0.15 0.04 0.59 -0.09 -1.08 0.00 0.00 179.45 178.76 1k9m h ARG 8 N 0.07 1.27 0.14 3.15 2.43 -0.68 -1.55 114.38 119.21 1k9m h ARG 8 Ca 0.22 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1k9m h ARG 8 Cb 0.33 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1k9m h ARG 8 CO -0.41 0.87 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.79 1k9m h LEU 9 N 1.30 -0.16 -0.57 3.80 3.38 0.43 -2.94 115.31 120.55 1k9m h LEU 9 Ca 0.34 -0.22 0.12 0.00 0.09 0.00 0.00 57.88 58.21 1k9m h LEU 9 Cb -0.09 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.60 1k9m h LEU 9 CO -0.07 0.14 -0.08 0.00 0.09 0.00 0.00 178.44 178.52 1k9m h ALA 10 N 0.33 0.46 -0.99 1.53 0.00 0.47 0.26 119.26 121.31 1k9m h ALA 10 Ca -0.02 0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1k9m h ALA 10 Cb 0.37 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 1k9m h ALA 10 CO 0.03 -0.42 0.63 0.00 0.00 0.00 0.00 179.25 179.50 1k9m h ALA 11 N 1.55 1.50 0.10 0.00 0.00 -1.28 0.32 119.26 121.44 1k9m h ALA 11 Ca 0.28 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.96 1k9m h ALA 11 Cb 0.45 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.02 1k9m h ALA 11 CO -0.54 0.28 -1.00 0.22 0.00 0.00 0.00 179.25 178.21 1k9m h ASP 12 N 1.04 0.71 -0.21 0.00 1.82 -0.77 0.25 116.42 119.25 1k9m h ASP 12 Ca 0.47 -0.84 -0.01 0.00 -0.39 0.00 0.00 57.03 56.26 1k9m h ASP 12 Cb 0.39 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1k9m h ASP 12 CO -0.23 1.48 0.08 1.62 -1.61 0.00 0.00 179.24 180.58 1k9m h VAL 13 N 0.04 1.17 0.00 2.25 3.04 -0.17 -2.46 116.25 120.13 1k9m h VAL 13 Ca -0.15 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 1k9m h VAL 13 Cb 1.72 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 32.12 1k9m h VAL 13 CO 0.19 0.17 0.00 0.18 -1.01 0.00 0.00 177.57 177.10 1k9m n LEU 14 N -4.81 0.00 -3.54 3.16 4.77 0.11 -4.92 117.00 111.77 1k9m n LEU 14 Ca -0.04 0.46 -0.20 0.00 -0.03 0.00 0.00 56.01 56.20 1k9m n LEU 14 Cb 0.13 -0.46 0.06 0.00 -2.33 0.00 0.00 43.42 40.82 1k9m n LEU 14 CO 0.35 -0.11 0.01 -0.67 -1.33 0.00 0.00 177.39 175.64 1k9m n ASP 15 N -1.46 -2.63 -4.06 -1.43 -0.08 -0.53 -5.02 116.55 101.35 1k9m n ASP 15 Ca 0.06 -0.75 -0.09 0.00 -1.51 0.00 0.00 54.79 52.50 1k9m n ASP 15 Cb 0.24 -4.54 -0.09 0.00 2.34 0.00 0.00 41.12 39.07 1k9m n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1k9m s VAL 16 N -3.51 0.13 0.25 5.18 1.01 0.76 -5.02 120.40 119.20 1k9m s VAL 16 Ca 0.11 -1.69 -0.30 0.00 0.00 0.00 0.00 61.98 60.10 1k9m s VAL 16 Cb -0.02 -1.79 -0.10 0.00 0.00 0.00 0.00 36.38 34.47 1k9m s VAL 16 CO 0.78 -0.58 1.45 -0.83 0.00 0.00 0.00 175.10 175.92 1k9m s GLY 17 N -2.98 2.30 0.41 4.51 0.00 -1.26 -4.45 107.32 105.86 1k9m s GLY 17 Ca 0.16 1.35 0.23 0.00 0.00 0.00 0.00 44.72 46.46 1k9m s GLY 17 CO -0.03 2.31 1.70 0.50 0.00 0.00 0.00 173.10 177.58 1k9m h LYS 18 N 5.03 0.24 0.00 2.90 1.57 -1.90 0.32 116.57 124.74 1k9m h LYS 18 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1k9m h LYS 18 Cb 1.22 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1k9m h LYS 18 CO 0.78 0.16 0.00 0.09 -0.57 0.00 0.00 179.45 179.91 1k9m n ASN 19 N -4.67 0.51 0.03 0.86 3.02 -1.26 -2.11 115.26 111.64 1k9m n ASN 19 Ca 0.31 0.64 0.11 0.00 -0.03 0.00 0.00 54.58 55.61 1k9m n ASN 19 Cb 1.12 -0.74 -0.02 0.00 -0.61 0.00 0.00 39.78 39.53 1k9m n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1k9m n ARG 20 N -2.08 0.38 -2.21 3.52 1.74 0.11 -4.93 116.66 113.18 1k9m n ARG 20 Ca 0.02 -0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1k9m n ARG 20 Cb 0.19 -1.61 -0.03 0.00 -1.02 0.00 0.00 32.46 29.99 1k9m n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1k9m s VAL 21 N -3.26 3.11 -0.09 1.55 -7.23 -0.90 -0.93 120.40 112.65 1k9m s VAL 21 Ca 0.01 0.97 0.02 0.00 -1.81 0.00 0.00 61.98 61.18 1k9m s VAL 21 Cb 0.14 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.44 1k9m s VAL 21 CO 0.82 0.17 -0.16 0.86 -0.31 0.00 0.00 175.10 176.49 1k9m s TRP 22 N -0.31 2.69 -0.19 2.82 -0.00 0.10 -4.92 118.94 119.14 1k9m s TRP 22 Ca 0.54 -0.51 -0.00 0.00 -0.00 0.00 0.00 56.10 56.12 1k9m s TRP 22 Cb -0.37 -1.72 0.01 0.00 -0.00 0.00 0.00 33.47 31.39 1k9m s TRP 22 CO 0.42 -0.08 -0.15 -0.06 -0.00 0.00 0.00 176.95 177.08 1k9m s PHE 23 N -0.12 2.83 -0.10 5.86 0.08 -1.26 -1.89 117.98 123.38 1k9m s PHE 23 Ca -0.02 -1.33 -0.35 0.00 0.12 0.00 0.00 56.93 55.34 1k9m s PHE 23 Cb -0.14 -1.96 -0.12 0.00 -0.57 0.00 0.00 43.02 40.23 1k9m s PHE 23 CO 0.04 -0.67 1.84 -1.71 -0.10 0.00 0.00 175.22 174.62 1k9m n ASN 24 N 4.55 3.29 0.31 1.36 2.85 -0.19 -4.83 115.26 122.60 1k9m n ASN 24 Ca -0.20 0.99 0.20 0.00 -0.11 0.00 0.00 54.58 55.47 1k9m n ASN 24 Cb 0.51 -1.34 1.07 0.00 1.24 0.00 0.00 39.78 41.26 1k9m n ASN 24 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1k9m h PRO 25 N 8.75 0.00 -0.02 1.20 0.11 -1.98 -1.79 132.00 138.27 1k9m h PRO 25 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1k9m h PRO 25 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1k9m h PRO 25 CO 0.95 0.00 -0.06 0.39 -0.21 0.00 0.00 178.00 179.06 1k9m n GLU 26 N -2.93 1.59 -1.67 1.05 1.02 -1.26 -4.18 120.64 114.25 1k9m n GLU 26 Ca -0.03 -1.01 -0.05 0.00 -0.02 0.00 0.00 57.16 56.05 1k9m n GLU 26 Cb 0.11 -1.48 0.08 0.00 -0.02 0.00 0.00 31.44 30.14 1k9m n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1k9m n ARG 27 N 0.18 1.94 -0.16 3.49 1.74 -0.67 -4.80 116.66 118.38 1k9m n ARG 27 Ca 0.17 -3.37 -0.09 0.00 -0.77 0.00 0.00 57.85 53.79 1k9m n ARG 27 Cb 0.39 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1k9m n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1k9m h GLN 28 N 1.70 0.73 -0.66 5.56 4.20 -1.73 -0.95 115.11 123.96 1k9m h GLN 28 Ca 0.04 -0.15 0.10 0.00 0.06 0.00 0.00 58.65 58.70 1k9m h GLN 28 Cb 1.40 -0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.99 1k9m h GLN 28 CO 0.29 0.69 0.26 0.78 -0.67 0.00 0.00 178.83 180.18 1k9m h GLY 29 N 0.63 0.94 0.96 3.46 0.00 -1.93 0.88 103.07 108.01 1k9m h GLY 29 Ca 0.15 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 1k9m h GLY 29 CO -0.01 -0.03 -0.41 -0.55 0.00 0.00 0.00 176.54 175.54 1k9m h ASP 30 N 0.44 0.72 -0.09 0.19 3.32 -1.87 -2.78 116.42 116.35 1k9m h ASP 30 Ca 0.34 -0.55 -0.08 0.00 0.02 0.00 0.00 57.03 56.75 1k9m h ASP 30 Cb 0.43 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1k9m h ASP 30 CO -0.33 1.14 -0.20 0.40 -1.72 0.00 0.00 179.24 178.53 1k9m h ILE 31 N 0.33 1.25 -0.91 0.35 2.04 -0.60 -2.05 117.51 117.91 1k9m h ILE 31 Ca 0.01 -1.16 0.10 0.00 1.00 0.00 0.00 64.86 64.81 1k9m h ILE 31 Cb 1.02 1.26 -0.08 0.00 -0.74 0.00 0.00 36.82 38.29 1k9m h ILE 31 CO 0.09 0.37 0.56 0.00 0.00 0.00 0.00 178.15 179.17 1k9m h ALA 32 N 1.36 1.32 0.00 1.87 0.00 0.91 -0.75 119.26 123.97 1k9m h ALA 32 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1k9m h ALA 32 Cb 0.59 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1k9m h ALA 32 CO 0.04 0.21 0.00 -0.44 0.00 0.00 0.00 179.25 179.06 1k9m h ASP 33 N 0.93 0.00 -2.45 0.00 3.32 -1.10 -3.43 116.42 113.69 1k9m h ASP 33 Ca 0.43 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.95 1k9m h ASP 33 Cb 0.36 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.92 1k9m h ASP 33 CO -0.24 0.00 1.18 0.00 -1.72 0.00 0.00 179.24 178.47 1k9m s ALA 34 N -3.55 3.61 -0.03 3.45 0.00 -0.29 -4.81 121.76 120.14 1k9m s ALA 34 Ca 0.03 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.26 1k9m s ALA 34 Cb 0.08 -3.81 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 1k9m s ALA 34 CO 0.56 -1.49 0.00 -0.89 0.00 0.00 0.00 175.76 173.94 1k9m n ILE 35 N 5.44 0.19 -4.06 0.00 2.08 -1.26 -4.89 119.36 116.86 1k9m n ILE 35 Ca 0.19 -0.11 -0.22 0.00 0.56 0.00 0.00 62.75 63.17 1k9m n ILE 35 Cb 0.41 -0.88 -0.05 0.00 -0.75 0.00 0.00 39.64 38.38 1k9m n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1k9m s THR 36 N -2.07 3.74 0.36 1.39 -4.23 -1.26 -4.99 115.64 108.58 1k9m s THR 36 Ca -0.02 -1.54 0.04 0.00 -1.18 0.00 0.00 61.69 58.99 1k9m s THR 36 Cb 0.01 -3.16 0.27 0.00 1.34 0.00 0.00 72.50 70.96 1k9m s THR 36 CO 0.11 -0.27 2.00 0.03 -0.54 0.00 0.00 174.62 175.95 1k9m h ARG 37 N 1.50 0.78 -0.46 3.99 3.08 -1.98 -0.35 114.38 120.93 1k9m h ARG 37 Ca -0.46 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.49 1k9m h ARG 37 Cb 1.25 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 1k9m h ARG 37 CO 0.60 0.51 0.05 1.49 -1.07 0.00 0.00 179.97 181.56 1k9m h GLU 38 N 0.80 0.72 -0.27 0.04 4.57 -2.00 -0.22 114.58 118.22 1k9m h GLU 38 Ca 0.25 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1k9m h GLU 38 Cb 0.00 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 1k9m h GLU 38 CO -0.06 0.70 0.05 -0.44 -1.18 0.00 0.00 179.01 178.07 1k9m h ASP 39 N 0.69 0.36 0.13 1.04 3.32 -1.48 -2.13 116.42 118.35 1k9m h ASP 39 Ca 0.15 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1k9m h ASP 39 Cb 0.35 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1k9m h ASP 39 CO 0.01 0.38 -0.06 0.58 -1.72 0.00 0.00 179.24 178.43 1k9m h VAL 40 N 0.39 1.02 -0.93 -1.35 2.07 -0.17 -2.59 116.25 114.69 1k9m h VAL 40 Ca 0.09 -1.10 0.16 0.00 0.82 0.00 0.00 66.70 66.68 1k9m h VAL 40 Cb 0.18 1.65 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 1k9m h VAL 40 CO -0.00 0.24 0.59 0.03 0.02 0.00 0.00 177.57 178.45 1k9m h ARG 41 N -0.74 0.66 -0.41 1.57 3.08 -0.99 0.13 114.38 117.68 1k9m h ARG 41 Ca -0.02 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1k9m h ARG 41 Cb 0.53 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1k9m h ARG 41 CO 0.03 0.44 0.18 1.49 -1.07 0.00 0.00 179.97 181.04 1k9m h GLU 42 N 0.68 0.60 0.00 0.04 4.81 -1.36 0.04 114.58 119.40 1k9m h GLU 42 Ca 0.48 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1k9m h GLU 42 Cb 0.82 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1k9m h GLU 42 CO -0.24 0.53 0.00 -0.07 -0.73 0.00 0.00 179.01 178.50 1k9m h LEU 43 N 0.52 0.00 -0.06 1.64 3.38 -0.75 -2.37 115.31 117.66 1k9m h LEU 43 Ca 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1k9m h LEU 43 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1k9m h LEU 43 CO -0.02 0.00 -0.30 0.58 0.09 0.00 0.00 178.44 178.79 1k9m h VAL 44 N 0.00 1.43 0.00 1.22 2.07 0.45 -1.20 116.25 120.22 1k9m h VAL 44 Ca 0.00 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 1k9m h VAL 44 Cb 0.55 2.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1k9m h VAL 44 CO 0.00 0.49 -0.05 0.44 0.02 0.00 0.00 177.57 178.48 1k9m h ASP 45 N -0.19 0.00 -0.35 0.57 3.32 -0.62 0.30 116.42 119.45 1k9m h ASP 45 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1k9m h ASP 45 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1k9m h ASP 45 CO 0.06 0.05 0.00 -0.62 -1.72 0.00 0.00 179.24 177.01 1k9m n GLU 46 N -3.42 1.95 -1.10 3.56 1.02 -0.93 -4.91 120.64 116.80 1k9m n GLU 46 Ca -0.02 -1.46 -0.04 0.00 -0.02 0.00 0.00 57.16 55.63 1k9m n GLU 46 Cb 0.17 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 1k9m n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k9m n GLY 47 N 1.19 0.39 0.17 0.62 0.00 0.11 -4.80 105.19 102.86 1k9m n GLY 47 Ca 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1k9m n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9m h ALA 48 N 0.00 0.97 -3.27 4.61 0.00 -1.42 -3.41 119.26 116.74 1k9m h ALA 48 Ca -0.07 -0.41 -0.63 0.00 0.00 0.00 0.00 54.91 53.79 1k9m h ALA 48 Cb 0.96 -0.07 -0.34 0.00 0.00 0.00 0.00 17.79 18.34 1k9m h ALA 48 CO 0.11 0.57 -0.86 0.42 0.00 0.00 0.00 179.25 179.49 1k9m s ILE 49 N -3.57 1.80 0.21 0.00 1.01 -1.06 -1.02 121.20 118.58 1k9m s ILE 49 Ca -0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 1k9m s ILE 49 Cb 0.11 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 1k9m s ILE 49 CO 0.71 0.50 0.18 -1.10 0.00 0.00 0.00 174.94 175.23 1k9m s GLN 50 N 0.77 1.27 -0.13 2.79 -0.21 -0.79 -4.50 119.66 118.85 1k9m s GLN 50 Ca -0.10 -1.61 -0.00 0.00 0.02 0.00 0.00 55.36 53.67 1k9m s GLN 50 Cb -0.16 0.30 -0.02 0.00 1.00 0.00 0.00 33.01 34.13 1k9m s GLN 50 CO 0.01 -0.43 -0.12 0.00 -2.12 0.00 0.00 175.29 172.63 1k9m s ALA 51 N -4.10 2.69 0.78 6.09 0.00 -1.26 0.03 121.76 125.98 1k9m s ALA 51 Ca 0.37 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 51.34 1k9m s ALA 51 Cb 0.06 -1.25 0.06 0.00 0.00 0.00 0.00 23.12 21.99 1k9m s ALA 51 CO 0.13 0.27 1.08 0.21 0.00 0.00 0.00 175.76 177.45 1k9m s LYS 52 N 0.25 2.25 0.13 0.00 2.47 -0.11 -4.96 119.74 119.77 1k9m s LYS 52 Ca -0.08 0.86 -0.21 0.00 -1.56 0.00 0.00 55.97 54.98 1k9m s LYS 52 Cb -0.15 -1.92 -0.07 0.00 -1.46 0.00 0.00 37.83 34.23 1k9m s LYS 52 CO 0.05 -1.56 0.65 -0.51 0.16 0.00 0.00 175.35 174.14 1k9m s ASP 53 N -3.70 7.13 0.03 1.43 1.01 -1.26 -4.96 116.67 116.35 1k9m s ASP 53 Ca 0.60 1.38 -0.24 0.00 0.71 0.00 0.00 52.55 55.00 1k9m s ASP 53 Cb -0.15 -2.40 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 1k9m s ASP 53 CO 0.55 0.20 0.73 -1.59 0.21 0.00 0.00 175.17 175.28 1k9m s LYS 54 N -1.34 4.46 0.66 8.23 -2.85 -1.26 -5.05 119.74 122.59 1k9m s LYS 54 Ca 0.34 1.00 -0.06 0.00 -1.00 0.00 0.00 55.97 56.25 1k9m s LYS 54 Cb -0.20 -3.36 0.04 0.00 -2.06 0.00 0.00 37.83 32.25 1k9m s LYS 54 CO 0.21 0.29 0.96 -1.59 0.10 0.00 0.00 175.35 175.33 1k9m s LYS 55 N -0.06 2.50 0.05 1.78 -2.85 -1.26 -5.10 119.74 114.80 1k9m s LYS 55 Ca 0.37 -0.17 0.02 0.00 -1.00 0.00 0.00 55.97 55.19 1k9m s LYS 55 Cb -0.20 -2.22 -0.03 0.00 -2.06 0.00 0.00 37.83 33.33 1k9m s LYS 55 CO 0.22 -1.01 -0.07 0.20 0.10 0.00 0.00 175.35 174.78 1k9m s GLY 56 N -4.43 0.55 0.11 0.59 0.00 -1.26 -5.12 107.32 97.75 1k9m s GLY 56 Ca 0.58 -0.90 -0.30 0.00 0.00 0.00 0.00 44.72 44.09 1k9m s GLY 56 CO 0.45 -0.97 1.10 -1.31 0.00 0.00 0.00 173.10 172.37 1k9m s ASN 57 N -1.95 7.24 0.03 1.64 -0.87 -1.26 -4.98 114.94 114.78 1k9m s ASN 57 Ca -0.05 1.98 -0.30 0.00 -1.57 0.00 0.00 52.86 52.91 1k9m s ASN 57 Cb -0.06 -2.59 -0.06 0.00 -0.02 0.00 0.00 41.25 38.52 1k9m s ASN 57 CO -0.01 -0.29 1.37 -0.44 -2.57 0.00 0.00 177.10 175.16 1k9m s SER 58 N 0.45 6.87 -0.12 -1.22 0.01 -1.26 -4.90 113.70 113.54 1k9m s SER 58 Ca 0.53 2.13 0.18 0.00 1.31 0.00 0.00 55.95 60.10 1k9m s SER 58 Cb -0.28 -2.57 0.73 0.00 0.21 0.00 0.00 66.02 64.12 1k9m s SER 58 CO 0.32 -0.68 1.64 0.54 0.41 0.00 0.00 173.24 175.47 1k9m n ARG 59 N 4.97 3.78 0.14 12.44 1.74 -1.26 -4.57 116.66 133.90 1k9m n ARG 59 Ca 0.12 -2.91 -0.13 0.00 -0.77 0.00 0.00 57.85 54.16 1k9m n ARG 59 Cb 0.44 -1.91 -0.06 0.00 -1.02 0.00 0.00 32.46 29.91 1k9m n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1k9m h GLY 60 N 4.12 -0.58 2.00 -0.13 0.00 -2.00 0.77 103.07 107.25 1k9m h GLY 60 Ca 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 1k9m h GLY 60 CO 0.24 -0.24 -0.13 3.21 0.00 0.00 0.00 176.54 179.62 1k9m h ARG 61 N -0.54 0.00 -0.21 4.80 3.08 -2.01 -1.83 114.38 117.68 1k9m h ARG 61 Ca 0.02 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.87 1k9m h ARG 61 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1k9m h ARG 61 CO -0.13 0.13 -0.65 0.00 -1.07 0.00 0.00 179.97 178.24 1k9m h ALA 62 N 1.87 0.46 -0.25 0.04 0.00 -1.53 -2.95 119.26 116.90 1k9m h ALA 62 Ca -0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 54.20 1k9m h ALA 62 Cb 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1k9m h ALA 62 CO 0.02 0.69 -0.47 0.00 0.00 0.00 0.00 179.25 179.49 1k9m h ARG 63 N 0.55 0.66 -0.40 0.00 3.08 -0.08 -0.16 114.38 118.04 1k9m h ARG 63 Ca -0.01 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.65 1k9m h ARG 63 Cb 1.25 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 1k9m h ARG 63 CO 0.13 0.99 0.21 0.93 -1.07 0.00 0.00 179.97 181.16 1k9m h GLU 64 N 0.53 0.56 -0.26 0.04 5.08 -1.43 -0.43 114.58 118.68 1k9m h GLU 64 Ca 0.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1k9m h GLU 64 Cb 1.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1k9m h GLU 64 CO 0.10 0.47 0.10 -0.09 -1.00 0.00 0.00 179.01 178.59 1k9m h ARG 65 N 0.51 0.39 -0.96 2.33 2.43 -1.46 -1.79 114.38 115.83 1k9m h ARG 65 Ca 0.14 -0.07 0.16 0.00 -0.81 0.00 0.00 59.98 59.39 1k9m h ARG 65 Cb 0.08 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.49 1k9m h ARG 65 CO -0.02 0.43 0.61 1.96 -1.51 0.00 0.00 179.97 181.44 1k9m h GLN 66 N 0.26 0.75 0.03 0.20 4.20 -0.68 0.10 115.11 119.98 1k9m h GLN 66 Ca 0.08 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1k9m h GLN 66 Cb 0.19 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1k9m h GLN 66 CO -0.01 0.50 -0.02 0.87 -0.67 0.00 0.00 178.83 179.50 1k9m h LYS 67 N 0.77 -0.04 -0.37 1.46 1.57 -0.63 -1.52 116.57 117.80 1k9m h LYS 67 Ca 0.50 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.35 1k9m h LYS 67 Cb 0.76 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.02 1k9m h LYS 67 CO -0.27 0.33 0.03 0.87 -0.57 0.00 0.00 179.45 179.84 1k9m h LYS 68 N -0.42 0.14 0.00 3.15 1.79 -0.40 -1.36 116.57 119.47 1k9m h LYS 68 Ca -0.00 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 1k9m h LYS 68 Cb 0.39 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1k9m h LYS 68 CO 0.01 0.09 -0.22 0.00 -1.08 0.00 0.00 179.45 178.25 1k9m h ARG 69 N 0.14 0.00 -0.01 3.15 3.08 -0.82 -0.39 114.38 119.54 1k9m h ARG 69 Ca 0.18 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.03 1k9m h ARG 69 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1k9m h ARG 69 CO -0.27 0.22 -0.86 0.00 -1.07 0.00 0.00 179.97 177.99 1k9m h ALA 70 N 1.78 0.52 0.00 0.04 0.00 -0.64 -2.86 119.26 118.11 1k9m h ALA 70 Ca -0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1k9m h ALA 70 Cb 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1k9m h ALA 70 CO 0.03 0.88 0.00 1.17 0.00 0.00 0.00 179.25 181.33 1k9m n LYS 71 N -3.70 0.46 -0.06 0.00 3.00 -0.57 -4.90 118.16 112.40 1k9m n LYS 71 Ca -0.04 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1k9m n LYS 71 Cb 0.79 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.32 1k9m n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1k9m n GLY 72 N 0.93 0.49 3.97 3.14 0.00 -0.86 -5.07 105.19 107.79 1k9m n GLY 72 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 1k9m n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k9m s HIS 73 N -2.12 2.93 -1.25 1.61 3.76 -0.22 -4.57 115.29 115.43 1k9m s HIS 73 Ca 0.00 -0.02 -0.03 0.00 -0.15 0.00 0.00 55.06 54.87 1k9m s HIS 73 Cb 0.00 -2.60 0.00 0.00 1.11 0.00 0.00 32.58 31.09 1k9m s HIS 73 CO 0.00 -0.70 1.03 1.04 -0.85 0.00 0.00 174.74 175.26 1k9m n GLN 74 N -2.21 -6.84 -1.59 1.40 6.02 -1.26 -3.49 117.38 109.40 1k9m n GLN 74 Ca 0.06 0.83 -0.00 0.00 -0.01 0.00 0.00 57.00 57.88 1k9m n GLN 74 Cb 0.59 -5.82 0.00 0.00 1.02 0.00 0.00 30.24 26.03 1k9m n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1k9m n LYS 75 N -4.37 0.30 -1.65 -1.09 5.02 -1.26 -4.93 118.16 110.18 1k9m n LYS 75 Ca -0.21 -1.83 -0.29 0.00 -2.02 0.00 0.00 58.31 53.96 1k9m n LYS 75 Cb 0.64 -0.01 0.11 0.00 -0.02 0.00 0.00 35.03 35.75 1k9m n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1k9m s GLY 76 N -1.86 1.59 0.52 0.72 0.00 -1.26 -4.77 107.32 102.26 1k9m s GLY 76 Ca 0.21 -0.50 0.37 0.00 0.00 0.00 0.00 44.72 44.80 1k9m s GLY 76 CO -0.10 0.01 1.75 0.00 0.00 0.00 0.00 173.10 174.76 1k9m h ALA 77 N -1.29 3.13 -0.00 3.20 0.00 -1.99 1.24 119.26 123.55 1k9m h ALA 77 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1k9m h ALA 77 Cb 1.32 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1k9m h ALA 77 CO 0.63 -1.53 -0.02 0.41 0.00 0.00 0.00 179.25 178.73 1k9m n GLY 78 N -1.75 -1.03 0.25 0.00 0.00 -1.26 -3.45 105.19 97.96 1k9m n GLY 78 Ca 0.29 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.15 1k9m n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k9m n SER 79 N -1.02 1.35 -4.81 1.61 7.64 0.42 -4.99 113.62 113.82 1k9m n SER 79 Ca 0.19 -1.17 -0.38 0.00 1.01 0.00 0.00 58.87 58.51 1k9m n SER 79 Cb 0.20 0.29 -0.06 0.00 -1.01 0.00 0.00 64.21 63.63 1k9m n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1k9m s ARG 80 N -1.03 3.96 -0.01 1.43 0.52 -1.09 -4.90 118.95 117.83 1k9m s ARG 80 Ca 0.08 0.33 0.01 0.00 -0.52 0.00 0.00 55.73 55.63 1k9m s ARG 80 Cb 0.07 -3.27 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 1k9m s ARG 80 CO 0.17 0.58 0.00 1.17 0.02 0.00 0.00 175.30 177.25 1k9m n LYS 81 N 2.26 3.36 -3.54 3.54 3.00 -1.26 -5.02 118.16 120.50 1k9m n LYS 81 Ca -0.13 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 57.92 1k9m n LYS 81 Cb 0.52 -1.03 -0.02 0.00 0.00 0.00 0.00 35.03 34.50 1k9m n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1k9m s GLY 82 N -3.26 1.61 0.97 3.14 0.00 -1.26 -5.06 107.32 103.46 1k9m s GLY 82 Ca -0.01 -0.83 -0.11 0.00 0.00 0.00 0.00 44.72 43.77 1k9m s GLY 82 CO 0.05 -0.77 1.03 1.17 0.00 0.00 0.00 173.10 174.57 1k9m n LYS 83 N -1.15 -0.81 -0.00 2.90 3.00 -1.26 -4.69 118.16 116.15 1k9m n LYS 83 Ca -0.04 -0.18 -0.09 0.00 -0.00 0.00 0.00 58.31 57.99 1k9m n LYS 83 Cb 0.55 -2.28 -0.03 0.00 0.00 0.00 0.00 35.03 33.27 1k9m n LYS 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1k9m h ALA 84 N -2.01 -0.09 0.00 3.14 0.00 -1.97 -1.02 119.26 117.31 1k9m h ALA 84 Ca -0.46 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1k9m h ALA 84 Cb 1.28 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1k9m h ALA 84 CO 0.42 -0.61 0.00 0.41 0.00 0.00 0.00 179.25 179.46 1k9m n GLY 85 N -1.31 -0.87 0.12 0.00 0.00 -1.26 -1.02 105.19 100.85 1k9m n GLY 85 Ca -0.03 0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1k9m n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9m h ALA 86 N 2.10 0.18 -0.37 4.61 0.00 -1.56 -3.24 119.26 120.98 1k9m h ALA 86 Ca 0.00 -1.08 -0.09 0.00 0.00 0.00 0.00 54.91 53.74 1k9m h ALA 86 Cb 0.10 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1k9m h ALA 86 CO 0.00 0.80 -0.13 0.00 0.00 0.00 0.00 179.25 179.92 1k9m h ARG 87 N -0.36 0.67 -3.36 0.00 3.08 -0.16 -3.41 114.38 110.84 1k9m h ARG 87 Ca -0.30 -0.22 -0.44 0.00 0.07 0.00 0.00 59.98 59.10 1k9m h ARG 87 Cb 1.71 -0.06 -0.40 0.00 0.08 0.00 0.00 29.97 31.31 1k9m h ARG 87 CO 0.04 0.78 -0.75 -1.14 -1.07 0.00 0.00 179.97 177.82 1k9m s GLN 88 N -4.74 0.24 -0.47 0.04 0.74 -0.19 -5.10 119.66 110.18 1k9m s GLN 88 Ca -0.08 0.05 -0.28 0.00 0.05 0.00 0.00 55.36 55.10 1k9m s GLN 88 Cb 0.14 -1.28 -0.01 0.00 1.10 0.00 0.00 33.01 32.96 1k9m s GLN 88 CO 0.81 -0.48 1.74 1.21 -0.55 0.00 0.00 175.29 178.02 1k9m s ASN 89 N 2.07 5.73 0.43 6.67 3.84 -1.22 -4.29 114.94 128.16 1k9m s ASN 89 Ca 0.03 0.79 0.21 0.00 0.21 0.00 0.00 52.86 54.09 1k9m s ASN 89 Cb -0.14 -2.53 1.17 0.00 -0.55 0.00 0.00 41.25 39.20 1k9m s ASN 89 CO -0.06 -1.93 1.82 0.77 -2.79 0.00 0.00 177.10 174.91 1k9m h SER 90 N 13.23 0.35 -0.20 -4.21 4.64 -1.94 0.16 113.55 125.59 1k9m h SER 90 Ca -0.29 0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 60.93 1k9m h SER 90 Cb 1.15 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1k9m h SER 90 CO 1.12 0.10 -0.45 0.50 -0.87 0.00 0.00 176.83 177.24 1k9m h LYS 91 N 0.33 0.65 -0.89 4.77 3.11 -1.97 -2.47 116.57 120.11 1k9m h LYS 91 Ca 0.52 -0.44 0.04 0.00 -2.81 0.00 0.00 60.65 57.97 1k9m h LYS 91 Cb 1.45 0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 32.69 1k9m h LYS 91 CO -0.20 1.05 0.58 1.49 -2.81 0.00 0.00 179.45 179.57 1k9m h GLU 92 N 0.34 1.05 -0.23 1.90 4.81 -1.41 -1.60 114.58 119.42 1k9m h GLU 92 Ca -0.00 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.04 1k9m h GLU 92 Cb 1.05 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1k9m h GLU 92 CO 0.10 0.70 -0.39 0.22 -0.73 0.00 0.00 179.01 178.91 1k9m h ASP 93 N 1.08 0.56 0.22 1.04 3.58 -1.19 -1.75 116.42 119.98 1k9m h ASP 93 Ca 0.36 -0.24 -0.15 0.00 0.42 0.00 0.00 57.03 57.41 1k9m h ASP 93 Cb 0.07 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1k9m h ASP 93 CO -0.12 0.90 -0.59 -0.25 -2.88 0.00 0.00 179.24 176.30 1k9m h TRP 94 N 0.45 0.47 -0.52 0.28 2.91 -0.89 -0.58 115.95 118.07 1k9m h TRP 94 Ca 0.04 -0.18 -0.11 0.00 1.13 0.00 0.00 58.89 59.78 1k9m h TRP 94 Cb 0.87 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.42 1k9m h TRP 94 CO 0.03 0.87 -0.10 0.93 -1.03 0.00 0.00 178.44 179.15 1k9m h GLU 95 N 0.28 0.99 0.36 2.65 5.08 -1.11 0.62 114.58 123.45 1k9m h GLU 95 Ca -0.00 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1k9m h GLU 95 Cb 1.11 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1k9m h GLU 95 CO 0.10 1.04 -0.21 1.03 -1.00 0.00 0.00 179.01 179.97 1k9m h SER 96 N 0.86 -0.53 0.50 1.42 0.87 -1.12 -2.14 113.55 113.41 1k9m h SER 96 Ca 0.14 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1k9m h SER 96 Cb 0.66 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1k9m h SER 96 CO 0.05 -0.34 -0.24 0.03 -0.53 0.00 0.00 176.83 175.80 1k9m h ARG 97 N -0.54 -0.64 0.00 2.24 3.08 -0.94 -2.31 114.38 115.27 1k9m h ARG 97 Ca -0.04 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1k9m h ARG 97 Cb 0.44 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1k9m h ARG 97 CO 0.04 -0.43 -0.07 0.97 -1.07 0.00 0.00 179.97 179.42 1k9m h ILE 98 N -0.67 0.61 0.14 2.04 -0.00 -0.91 -1.20 117.51 117.53 1k9m h ILE 98 Ca -0.07 -0.29 -0.29 0.00 -0.00 0.00 0.00 64.86 64.21 1k9m h ILE 98 Cb 0.51 1.18 0.03 0.00 -0.00 0.00 0.00 36.82 38.54 1k9m h ILE 98 CO 0.11 0.07 -1.23 0.03 -0.00 0.00 0.00 178.15 177.13 1k9m h ARG 99 N 0.00 0.58 -0.04 2.19 3.08 -1.31 -2.11 114.38 116.78 1k9m h ARG 99 Ca -0.00 -0.82 0.02 0.00 0.07 0.00 0.00 59.98 59.25 1k9m h ARG 99 Cb 0.17 0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1k9m h ARG 99 CO 0.01 1.37 -0.09 0.00 -1.07 0.00 0.00 179.97 180.19 1k9m h ALA 100 N 0.25 -0.07 -0.22 0.04 0.00 -0.76 0.11 119.26 118.60 1k9m h ALA 100 Ca -0.19 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1k9m h ALA 100 Cb 1.92 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 1k9m h ALA 100 CO 0.23 -0.57 -0.03 1.96 0.00 0.00 0.00 179.25 180.84 1k9m h GLN 101 N -0.14 0.33 0.02 0.00 4.20 -1.29 -0.34 115.11 117.88 1k9m h GLN 101 Ca 0.05 -0.06 -0.24 0.00 0.06 0.00 0.00 58.65 58.46 1k9m h GLN 101 Cb 0.21 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 27.94 1k9m h GLN 101 CO -0.12 0.39 -0.99 0.00 -0.67 0.00 0.00 178.83 177.43 1k9m h ARG 102 N 0.33 0.45 -0.30 1.46 3.08 -0.88 -2.41 114.38 116.10 1k9m h ARG 102 Ca 0.07 -0.50 -0.03 0.00 0.07 0.00 0.00 59.98 59.59 1k9m h ARG 102 Cb 0.27 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1k9m h ARG 102 CO 0.01 1.16 0.08 1.15 -1.07 0.00 0.00 179.97 181.30 1k9m h THR 103 N 0.24 1.21 -0.05 2.04 2.02 -0.38 -1.54 112.91 116.46 1k9m h THR 103 Ca -0.10 -0.70 0.02 0.00 0.77 0.00 0.00 66.41 66.41 1k9m h THR 103 Cb 1.64 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 69.09 1k9m h THR 103 CO 0.18 0.23 -0.47 0.50 0.37 0.00 0.00 175.52 176.33 1k9m h LYS 104 N 0.33 -0.53 -0.42 6.66 1.63 -1.02 -0.67 116.57 122.54 1k9m h LYS 104 Ca 0.10 0.04 0.12 0.00 -0.85 0.00 0.00 60.65 60.05 1k9m h LYS 104 Cb 0.27 0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 1k9m h LYS 104 CO -0.00 -0.35 0.33 -0.07 -3.45 0.00 0.00 179.45 175.90 1k9m h LEU 105 N -0.55 0.00 -0.56 5.20 3.38 -1.37 -0.93 115.31 120.48 1k9m h LEU 105 Ca 0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1k9m h LEU 105 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1k9m h LEU 105 CO -0.34 0.00 -0.49 -0.09 0.09 0.00 0.00 178.44 177.61 1k9m h ARG 106 N 0.00 0.59 0.04 1.13 2.43 -0.09 -2.58 114.38 115.89 1k9m h ARG 106 Ca 0.20 -0.34 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1k9m h ARG 106 Cb 0.85 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1k9m h ARG 106 CO -0.00 0.94 -0.02 0.93 -1.51 0.00 0.00 179.97 180.31 1k9m h GLU 107 N 0.47 -0.05 -0.38 0.20 5.08 -0.16 -2.98 114.58 116.77 1k9m h GLU 107 Ca 0.02 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.50 1k9m h GLU 107 Cb 1.02 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1k9m h GLU 107 CO 0.09 0.50 0.29 -0.07 -1.00 0.00 0.00 179.01 178.82 1k9m h LEU 108 N -0.63 0.00 -0.00 1.33 3.38 -1.46 0.12 115.31 118.05 1k9m h LEU 108 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1k9m h LEU 108 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1k9m h LEU 108 CO 0.01 0.00 -0.05 -0.09 0.09 0.00 0.00 178.44 178.40 1k9m h ARG 109 N 0.00 0.04 -0.54 1.13 2.43 -1.42 -0.09 114.38 115.93 1k9m h ARG 109 Ca 0.18 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 1k9m h ARG 109 Cb 0.75 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1k9m h ARG 109 CO -0.00 0.76 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.74 1k9m h ASP 110 N -0.67 0.94 -0.11 -3.80 3.32 -1.31 -1.50 116.42 113.30 1k9m h ASP 110 Ca -0.00 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 56.81 1k9m h ASP 110 Cb 0.77 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 1k9m h ASP 110 CO 0.01 1.02 0.10 -0.08 -1.72 0.00 0.00 179.24 178.57 1k9m h GLU 111 N 0.88 0.00 0.00 3.56 4.81 -0.83 -3.46 114.58 119.54 1k9m h GLU 111 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1k9m h GLU 111 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1k9m h GLU 111 CO 0.03 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.72 1k9m n GLY 112 N -1.46 0.05 0.30 1.92 0.00 -0.56 -4.95 105.19 100.48 1k9m n GLY 112 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1k9m n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1k9m h THR 113 N 0.00 0.62 -4.15 2.61 2.02 -1.25 -3.42 112.91 109.34 1k9m h THR 113 Ca 0.00 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.61 1k9m h THR 113 Cb 0.00 0.96 -0.30 0.00 -1.74 0.00 0.00 68.15 67.06 1k9m h THR 113 CO 0.00 0.00 -0.84 -0.76 0.37 0.00 0.00 175.52 174.29 1k9m s LEU 114 N -7.99 1.98 0.26 2.58 1.43 -0.87 -5.00 118.68 111.06 1k9m s LEU 114 Ca -0.05 -0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 52.45 1k9m s LEU 114 Cb 0.16 -0.98 -0.09 0.00 0.03 0.00 0.00 46.19 45.31 1k9m s LEU 114 CO 0.58 0.20 0.86 -0.94 0.23 0.00 0.00 176.35 177.28 1k9m s SER 115 N -0.22 7.34 0.00 2.29 1.04 -1.26 -4.55 113.70 118.33 1k9m s SER 115 Ca 0.02 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.17 1k9m s SER 115 Cb -0.09 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1k9m s SER 115 CO 0.01 0.05 0.50 -1.54 0.98 0.00 0.00 173.24 173.24 1k9m n SER 116 N 0.96 0.00 -0.11 7.02 3.41 -1.26 1.00 113.62 124.63 1k9m n SER 116 Ca -0.01 0.12 -0.14 0.00 -0.26 0.00 0.00 58.87 58.58 1k9m n SER 116 Cb 0.49 -0.12 -0.14 0.00 -0.26 0.00 0.00 64.21 64.18 1k9m n SER 116 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1k9m n SER 117 N -1.00 0.88 -0.07 4.04 3.41 -1.26 -3.29 113.62 116.33 1k9m n SER 117 Ca 0.00 -0.05 -0.15 0.00 -0.26 0.00 0.00 58.87 58.42 1k9m n SER 117 Cb 0.19 0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 64.45 1k9m n SER 117 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1k9m h GLN 118 N 0.00 0.78 0.13 4.33 4.20 0.28 -2.22 115.11 122.62 1k9m h GLN 118 Ca -0.55 -0.51 0.01 0.00 0.06 0.00 0.00 58.65 57.66 1k9m h GLN 118 Cb 2.10 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.92 1k9m h GLN 118 CO -0.02 1.13 -0.14 -0.92 -0.67 0.00 0.00 178.83 178.21 1k9m h TYR 119 N 0.53 -0.37 -0.37 2.96 3.20 -1.35 -1.11 116.97 120.46 1k9m h TYR 119 Ca 0.01 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.96 1k9m h TYR 119 Cb 1.11 0.15 -0.08 0.00 1.54 0.00 0.00 36.73 39.44 1k9m h TYR 119 CO 0.08 -0.22 -0.18 -0.09 -1.64 0.00 0.00 178.16 176.11 1k9m h ARG 120 N -0.31 -0.11 -0.42 1.82 9.65 -1.53 0.58 114.38 124.06 1k9m h ARG 120 Ca 0.01 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 1k9m h ARG 120 Cb 0.30 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.87 1k9m h ARG 120 CO -0.05 -0.08 0.21 0.22 2.80 0.00 0.00 179.97 183.08 1k9m h ASP 121 N -0.12 0.31 -0.19 -3.80 1.82 -1.08 -0.43 116.42 112.93 1k9m h ASP 121 Ca 0.19 0.02 -0.15 0.00 -0.39 0.00 0.00 57.03 56.70 1k9m h ASP 121 Cb 0.40 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 1k9m h ASP 121 CO -0.45 0.22 -0.41 -0.07 -1.61 0.00 0.00 179.24 176.93 1k9m h LEU 122 N 0.43 0.79 0.34 2.28 3.38 -0.16 -2.53 115.31 119.83 1k9m h LEU 122 Ca 0.18 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1k9m h LEU 122 Cb 0.08 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1k9m h LEU 122 CO -0.12 1.10 -0.19 0.22 0.09 0.00 0.00 178.44 179.54 1k9m h TYR 123 N 0.60 -0.49 -0.14 1.13 3.20 0.48 -0.40 116.97 121.35 1k9m h TYR 123 Ca 0.05 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1k9m h TYR 123 Cb 0.96 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 1k9m h TYR 123 CO 0.05 -0.30 0.10 -0.44 -1.64 0.00 0.00 178.16 175.93 1k9m h ASP 124 N -0.49 0.12 0.47 -2.11 3.32 -1.06 -1.46 116.42 115.21 1k9m h ASP 124 Ca -0.04 -0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.81 1k9m h ASP 124 Cb 0.40 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1k9m h ASP 124 CO 0.05 0.09 -0.85 0.11 -1.72 0.00 0.00 179.24 176.91 1k9m h LYS 125 N 0.14 0.27 0.01 3.56 1.57 -1.02 -2.58 116.57 118.52 1k9m h LYS 125 Ca 0.06 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1k9m h LYS 125 Cb 0.05 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1k9m h LYS 125 CO -0.01 0.97 -0.00 0.00 -0.57 0.00 0.00 179.45 179.84 1k9m h ALA 126 N 0.93 -0.01 -0.00 3.86 0.00 -0.23 -1.23 119.26 122.58 1k9m h ALA 126 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1k9m h ALA 126 Cb 1.47 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1k9m h ALA 126 CO 0.14 -0.32 0.05 0.78 0.00 0.00 0.00 179.25 179.89 1k9m h GLY 127 N -0.38 0.00 -1.46 0.00 0.00 -1.34 0.76 103.07 100.65 1k9m h GLY 127 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1k9m h GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1k9m n GLY 128 N -1.12 0.92 2.81 4.60 0.00 -0.85 -4.94 105.19 106.61 1k9m n GLY 128 Ca -0.03 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 1k9m n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9m n GLY 129 N 1.25 -0.06 0.11 -0.02 0.00 0.27 -4.95 105.19 101.78 1k9m n GLY 129 Ca 0.16 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1k9m n GLY 129 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1k9m h GLU 130 N -1.64 0.00 -5.29 1.61 4.39 -1.37 -3.46 114.58 108.82 1k9m h GLU 130 Ca -0.39 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 58.64 1k9m h GLU 130 Cb 1.24 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 29.57 1k9m h GLU 130 CO 0.36 0.00 -0.86 -0.06 -1.16 0.00 0.00 179.01 177.29 1k9m s PHE 131 N -3.26 2.63 0.04 4.33 0.40 -1.26 -5.00 117.98 115.86 1k9m s PHE 131 Ca 0.03 -1.08 0.24 0.00 -0.60 0.00 0.00 56.93 55.53 1k9m s PHE 131 Cb 0.11 -1.76 0.82 0.00 0.51 0.00 0.00 43.02 42.70 1k9m s PHE 131 CO 0.74 -0.45 1.78 -0.44 0.70 0.00 0.00 175.22 177.55 1k9m h ASP 132 N 6.90 0.00 -2.76 1.36 3.32 -1.92 -3.47 116.42 119.83 1k9m h ASP 132 Ca -0.24 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.87 1k9m h ASP 132 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1k9m h ASP 132 CO 0.51 0.21 0.42 -1.54 -1.72 0.00 0.00 179.24 177.11 1k9m n SER 133 N -3.30 -2.03 0.07 6.45 3.41 -1.26 -4.99 113.62 111.96 1k9m n SER 133 Ca 0.01 -2.27 -0.13 0.00 -0.26 0.00 0.00 58.87 56.22 1k9m n SER 133 Cb 0.46 3.35 -0.08 0.00 -0.26 0.00 0.00 64.21 67.67 1k9m n SER 133 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1k9m h VAL 134 N 1.98 1.03 -0.75 -3.33 2.07 -1.91 -1.45 116.25 113.89 1k9m h VAL 134 Ca -0.30 -0.54 0.17 0.00 0.82 0.00 0.00 66.70 66.85 1k9m h VAL 134 Cb 1.21 1.37 -0.12 0.00 -1.52 0.00 0.00 31.29 32.23 1k9m h VAL 134 CO 0.39 0.13 0.07 0.00 0.02 0.00 0.00 177.57 178.19 1k9m h ALA 135 N 0.47 0.86 -0.51 1.67 0.00 -1.99 0.59 119.26 120.34 1k9m h ALA 135 Ca -0.01 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1k9m h ALA 135 Cb 0.32 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1k9m h ALA 135 CO 0.02 -0.40 0.16 0.22 0.00 0.00 0.00 179.25 179.25 1k9m h ASP 136 N 0.16 0.70 0.23 0.00 3.58 -1.92 -0.35 116.42 118.82 1k9m h ASP 136 Ca 0.42 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.75 1k9m h ASP 136 Cb 0.74 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1k9m h ASP 136 CO -0.61 0.67 -0.11 0.25 -2.88 0.00 0.00 179.24 176.57 1k9m h LEU 137 N 0.75 -0.26 -0.56 2.28 5.85 0.11 -2.41 115.31 121.07 1k9m h LEU 137 Ca 0.17 -0.24 0.11 0.00 0.84 0.00 0.00 57.88 58.76 1k9m h LEU 137 Cb 0.23 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.22 1k9m h LEU 137 CO -0.01 0.14 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.85 1k9m h GLU 138 N -0.71 0.06 -0.55 1.25 5.08 -0.50 0.67 114.58 119.89 1k9m h GLU 138 Ca -0.03 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1k9m h GLU 138 Cb 0.49 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 1k9m h GLU 138 CO 0.05 0.04 0.21 0.00 -1.00 0.00 0.00 179.01 178.31 1k9m h ARG 139 N 0.07 0.38 -0.65 2.33 3.08 -1.02 -1.78 114.38 116.79 1k9m h ARG 139 Ca 0.28 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.25 1k9m h ARG 139 Cb 0.44 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1k9m h ARG 139 CO -0.52 0.25 0.17 -0.92 -1.07 0.00 0.00 179.97 177.88 1k9m h TYR 140 N 0.39 1.05 -0.70 3.04 3.20 -0.66 -2.89 116.97 120.40 1k9m h TYR 140 Ca 0.27 -0.11 0.07 0.00 3.14 0.00 0.00 58.73 62.10 1k9m h TYR 140 Cb 0.30 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.21 1k9m h TYR 140 CO -0.16 0.86 0.38 0.82 -1.64 0.00 0.00 178.16 178.42 1k9m h ILE 141 N 0.97 0.94 0.00 1.81 2.04 -0.06 -1.78 117.51 121.43 1k9m h ILE 141 Ca 0.21 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1k9m h ILE 141 Cb 0.33 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1k9m h ILE 141 CO -0.00 0.13 0.00 0.47 0.00 0.00 0.00 178.15 178.74 1k9m n ASP 142 N -4.79 3.54 0.00 1.72 8.00 -0.98 -5.11 116.55 118.93 1k9m n ASP 142 Ca 0.10 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.68 1k9m n ASP 142 Cb 0.21 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1k9m n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81