#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m n LYS 2 N 0.00 0.46 -2.34 4.33 2.85 -1.26 -4.78 118.16 117.43 1k9m n LYS 2 Ca 0.00 -0.04 -0.43 0.00 -1.05 0.00 0.00 58.31 56.79 1k9m n LYS 2 Cb 0.00 -1.62 -0.02 0.00 -0.65 0.00 0.00 35.03 32.74 1k9m n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1k9m s GLN 3 N -3.33 4.22 0.26 -1.58 -0.21 -1.26 -4.96 119.66 112.81 1k9m s GLN 3 Ca -0.01 1.77 -0.06 0.00 0.02 0.00 0.00 55.36 57.09 1k9m s GLN 3 Cb 0.13 -3.80 0.50 0.00 1.00 0.00 0.00 33.01 30.84 1k9m s GLN 3 CO 0.84 -0.73 1.61 -1.35 -2.12 0.00 0.00 175.29 173.54 1k9m h PRO 4 N 8.45 0.06 -0.38 2.91 0.11 -1.99 -1.12 132.00 140.05 1k9m h PRO 4 Ca -0.29 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.86 1k9m h PRO 4 Cb 1.12 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1k9m h PRO 4 CO 0.96 0.04 0.10 -0.44 -0.21 0.00 0.00 178.00 178.46 1k9m h ASP 5 N 0.07 0.07 -0.58 -2.05 5.19 -1.99 -1.53 116.42 115.59 1k9m h ASP 5 Ca 0.45 0.05 -0.11 0.00 -0.62 0.00 0.00 57.03 56.81 1k9m h ASP 5 Cb 0.82 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.37 1k9m h ASP 5 CO -0.76 0.08 -0.05 0.11 -3.12 0.00 0.00 179.24 175.49 1k9m h LYS 6 N 0.24 1.06 0.31 3.56 1.57 -1.64 -0.73 116.57 120.94 1k9m h LYS 6 Ca 0.18 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1k9m h LYS 6 Cb 0.18 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1k9m h LYS 6 CO -0.21 1.07 -0.29 1.96 -0.57 0.00 0.00 179.45 181.41 1k9m h GLN 7 N 0.95 -0.59 -0.87 3.15 1.08 -0.93 -1.32 115.11 116.58 1k9m h GLN 7 Ca 0.16 0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1k9m h GLN 7 Cb 0.62 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.14 1k9m h GLN 7 CO 0.04 -0.40 0.53 0.00 -0.95 0.00 0.00 178.83 178.06 1k9m h ARG 8 N -0.62 1.18 0.18 1.46 3.08 -1.25 -2.54 114.38 115.88 1k9m h ARG 8 Ca -0.02 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1k9m h ARG 8 Cb 0.56 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1k9m h ARG 8 CO -0.05 0.82 -0.10 -0.22 -1.07 0.00 0.00 179.97 179.35 1k9m h LYS 9 N 1.20 -0.26 0.00 0.04 3.64 -0.75 -1.11 116.57 119.34 1k9m h LYS 9 Ca 0.31 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1k9m h LYS 9 Cb -0.06 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1k9m h LYS 9 CO -0.06 -0.17 -0.02 0.66 -2.27 0.00 0.00 179.45 177.58 1k9m h SER 10 N -0.27 0.00 0.21 4.20 4.64 -1.05 0.75 113.55 122.03 1k9m h SER 10 Ca -0.02 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.03 1k9m h SER 10 Cb 0.22 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1k9m h SER 10 CO 0.03 0.02 -1.21 1.56 -0.87 0.00 0.00 176.83 176.36 1k9m h GLN 11 N 0.00 0.44 0.00 4.77 4.20 -1.02 -2.86 115.11 120.64 1k9m h GLN 11 Ca -0.00 -0.75 -0.04 0.00 0.06 0.00 0.00 58.65 57.92 1k9m h GLN 11 Cb 0.09 0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1k9m h GLN 11 CO 0.00 1.36 -0.19 0.00 -0.67 0.00 0.00 178.83 179.33 1k9m h ARG 12 N -0.07 0.00 -0.22 1.46 3.08 -0.47 -3.28 114.38 114.88 1k9m h ARG 12 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1k9m h ARG 12 Cb 1.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.00 1k9m h ARG 12 CO 0.22 0.19 0.00 0.54 -1.07 0.00 0.00 179.97 179.85 1k9m n ARG 13 N -3.23 2.13 -1.72 0.04 1.74 0.19 -5.02 116.66 110.79 1k9m n ARG 13 Ca 0.02 -1.73 -0.43 0.00 -0.77 0.00 0.00 57.85 54.94 1k9m n ARG 13 Cb 0.50 -1.23 -0.02 0.00 -1.02 0.00 0.00 32.46 30.69 1k9m n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k9m n ALA 14 N 0.46 2.11 -0.69 7.54 0.00 -1.08 -4.94 120.51 123.92 1k9m n ALA 14 Ca 0.09 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.61 1k9m n ALA 14 Cb 0.36 -2.41 0.16 0.00 0.00 0.00 0.00 19.45 17.57 1k9m n ALA 14 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1k9m n PRO 15 N 2.34 -0.55 -0.28 0.00 -0.02 -1.26 -4.72 135.00 130.50 1k9m n PRO 15 Ca 0.10 -0.10 0.01 0.00 -2.02 0.00 0.00 63.50 61.49 1k9m n PRO 15 Cb 0.35 -2.25 0.08 0.00 -0.02 0.00 0.00 33.50 31.66 1k9m n PRO 15 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1k9m h LEU 16 N -1.88 -0.89 0.00 2.45 3.38 -1.96 0.21 115.31 116.62 1k9m h LEU 16 Ca -0.44 0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1k9m h LEU 16 Cb 1.28 0.54 0.00 0.00 0.09 0.00 0.00 40.66 42.57 1k9m h LEU 16 CO 0.40 -0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1k9m n HIS 17 N -5.51 0.00 -0.15 1.13 1.44 -1.26 -1.32 115.22 109.55 1k9m n HIS 17 Ca 0.10 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.93 1k9m n HIS 17 Cb 0.40 -0.44 0.29 0.00 0.12 0.00 0.00 29.99 30.37 1k9m n HIS 17 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1k9m n GLU 18 N -1.44 2.65 -0.00 -1.40 1.02 0.72 -3.94 120.64 118.26 1k9m n GLU 18 Ca 0.04 -2.55 0.10 0.00 -0.02 0.00 0.00 57.16 54.74 1k9m n GLU 18 Cb 0.15 -1.56 -0.09 0.00 -0.02 0.00 0.00 31.44 29.92 1k9m n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1k9m n ARG 19 N 1.62 0.02 -0.37 3.49 1.74 -0.43 -4.16 116.66 118.56 1k9m n ARG 19 Ca 0.23 -0.01 0.03 0.00 -0.77 0.00 0.00 57.85 57.33 1k9m n ARG 19 Cb 0.62 -1.50 0.18 0.00 -1.02 0.00 0.00 32.46 30.73 1k9m n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1k9m h HIS 20 N 0.00 1.19 0.00 -1.55 3.86 -1.69 0.11 115.15 117.08 1k9m h HIS 20 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1k9m h HIS 20 Cb 0.51 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.59 1k9m h HIS 20 CO 0.00 0.61 0.00 0.36 0.86 0.00 0.00 177.93 179.76 1k9m n LYS 21 N -4.51 0.20 0.00 2.45 2.85 -1.26 -1.64 118.16 116.25 1k9m n LYS 21 Ca 0.15 0.15 0.11 0.00 -1.05 0.00 0.00 58.31 57.67 1k9m n LYS 21 Cb 0.19 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.10 1k9m n LYS 21 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1k9m n GLN 22 N -1.25 0.06 -2.07 -1.58 6.02 0.40 -4.14 117.38 114.82 1k9m n GLN 22 Ca 0.06 -0.01 -0.27 0.00 -0.01 0.00 0.00 57.00 56.78 1k9m n GLN 22 Cb 0.09 -1.51 0.02 0.00 1.02 0.00 0.00 30.24 29.86 1k9m n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1k9m n VAL 23 N -1.59 2.66 -3.88 5.09 0.24 -0.65 -4.74 118.33 115.46 1k9m n VAL 23 Ca 0.04 -4.29 -0.28 0.00 -2.04 0.00 0.00 64.34 57.77 1k9m n VAL 23 Cb 0.35 -1.18 -0.03 0.00 -1.47 0.00 0.00 33.84 31.51 1k9m n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1k9m s ARG 24 N -3.63 3.46 0.01 7.34 0.52 -1.25 -1.71 118.95 123.69 1k9m s ARG 24 Ca 0.52 -0.47 -0.01 0.00 -0.52 0.00 0.00 55.73 55.24 1k9m s ARG 24 Cb 0.42 -2.96 -0.01 0.00 0.52 0.00 0.00 34.95 32.91 1k9m s ARG 24 CO -0.05 0.53 0.00 0.00 0.02 0.00 0.00 175.30 175.79 1k9m s ALA 25 N -1.68 0.03 0.51 2.13 0.00 -0.05 -4.07 121.76 118.62 1k9m s ALA 25 Ca 0.36 -0.45 -0.21 0.00 0.00 0.00 0.00 51.96 51.66 1k9m s ALA 25 Cb -0.12 0.12 -0.06 0.00 0.00 0.00 0.00 23.12 23.07 1k9m s ALA 25 CO 0.28 -0.15 1.21 -0.08 0.00 0.00 0.00 175.76 177.02 1k9m s THR 26 N -1.29 2.80 0.07 0.00 -1.32 -1.24 -0.82 115.64 113.85 1k9m s THR 26 Ca -0.14 0.57 -0.05 0.00 -1.21 0.00 0.00 61.69 60.85 1k9m s THR 26 Cb -0.09 -3.27 -0.05 0.00 -1.51 0.00 0.00 72.50 67.58 1k9m s THR 26 CO -0.00 -0.04 0.32 -0.76 -2.21 0.00 0.00 174.62 171.92 1k9m s LEU 27 N -3.43 4.33 0.93 9.08 1.43 0.10 -1.73 118.68 129.40 1k9m s LEU 27 Ca 0.69 0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 54.24 1k9m s LEU 27 Cb -0.31 -2.98 0.10 0.00 0.03 0.00 0.00 46.19 43.04 1k9m s LEU 27 CO 0.36 0.16 0.83 -1.54 0.23 0.00 0.00 176.35 176.40 1k9m n SER 28 N 0.62 -0.70 -0.19 2.29 3.41 -0.87 -4.65 113.62 113.53 1k9m n SER 28 Ca -0.07 0.38 -0.02 0.00 -0.26 0.00 0.00 58.87 58.90 1k9m n SER 28 Cb 0.52 -1.36 0.09 0.00 -0.26 0.00 0.00 64.21 63.20 1k9m n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k9m h ALA 29 N -1.77 0.75 0.20 7.33 0.00 -1.98 -1.67 119.26 122.13 1k9m h ALA 29 Ca -0.43 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1k9m h ALA 29 Cb 1.28 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1k9m h ALA 29 CO 0.38 -0.14 -0.26 -0.44 0.00 0.00 0.00 179.25 178.79 1k9m h ASP 30 N 0.46 -0.72 -0.71 0.00 3.32 -1.98 -2.01 116.42 114.79 1k9m h ASP 30 Ca 0.28 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.42 1k9m h ASP 30 Cb 0.28 0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 1k9m h ASP 30 CO -0.25 -0.37 0.47 -0.07 -1.72 0.00 0.00 179.24 177.30 1k9m h LEU 31 N -0.52 0.76 -0.71 1.55 3.38 -1.83 0.13 115.31 118.08 1k9m h LEU 31 Ca 0.01 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1k9m h LEU 31 Cb 0.50 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1k9m h LEU 31 CO -0.09 0.54 0.16 0.03 0.09 0.00 0.00 178.44 179.17 1k9m h ARG 32 N 0.89 1.14 -0.10 1.13 3.08 -1.08 -0.61 114.38 118.82 1k9m h ARG 32 Ca 0.27 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1k9m h ARG 32 Cb -0.00 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 1k9m h ARG 32 CO -0.07 1.01 0.01 1.49 -1.07 0.00 0.00 179.97 181.34 1k9m h GLU 33 N 1.07 0.17 -0.57 0.04 4.57 -0.58 0.19 114.58 119.48 1k9m h GLU 33 Ca 0.22 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1k9m h GLU 33 Cb 0.38 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 1k9m h GLU 33 CO 0.00 0.40 0.38 1.49 -1.18 0.00 0.00 179.01 180.09 1k9m h GLU 34 N -0.07 0.75 -0.01 1.92 4.81 -0.43 -3.30 114.58 118.25 1k9m h GLU 34 Ca 0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1k9m h GLU 34 Cb 0.31 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1k9m h GLU 34 CO 0.00 0.50 -0.37 0.66 -0.73 0.00 0.00 179.01 179.07 1k9m n TYR 35 N -4.68 0.00 -2.64 0.92 4.02 -0.27 -5.01 117.16 109.50 1k9m n TYR 35 Ca 0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.86 1k9m n TYR 35 Cb 0.02 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.36 1k9m n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1k9m n GLY 36 N 1.11 0.39 2.99 2.72 0.00 0.67 -4.80 105.19 108.26 1k9m n GLY 36 Ca 0.04 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1k9m n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k9m s GLN 37 N -5.10 0.34 0.04 1.61 -0.21 -1.21 -5.06 119.66 110.07 1k9m s GLN 37 Ca 0.13 -0.63 0.13 0.00 0.02 0.00 0.00 55.36 55.01 1k9m s GLN 37 Cb -0.06 0.06 -0.18 0.00 1.00 0.00 0.00 33.01 33.83 1k9m s GLN 37 CO 0.16 -0.04 0.88 -0.09 -2.12 0.00 0.00 175.29 174.09 1k9m h ARG 38 N 4.64 0.00 -3.90 2.91 2.43 -1.96 -3.38 114.38 115.13 1k9m h ARG 38 Ca -0.32 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.65 1k9m h ARG 38 Cb 1.21 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.68 1k9m h ARG 38 CO 0.41 0.55 -0.13 0.54 -1.51 0.00 0.00 179.97 179.82 1k9m s ASN 39 N -6.17 0.56 0.14 -3.80 4.22 -1.26 0.02 114.94 108.66 1k9m s ASN 39 Ca -0.02 -1.32 -0.15 0.00 -2.14 0.00 0.00 52.86 49.23 1k9m s ASN 39 Cb 0.08 0.66 0.02 0.00 1.28 0.00 0.00 41.25 43.30 1k9m s ASN 39 CO 0.81 -1.30 0.39 0.54 -2.04 0.00 0.00 177.10 175.50 1k9m s VAL 40 N -3.21 0.07 -0.61 3.54 0.11 0.00 -4.79 120.40 115.51 1k9m s VAL 40 Ca 0.27 -0.80 -0.28 0.00 -2.93 0.00 0.00 61.98 58.24 1k9m s VAL 40 Cb -0.01 -1.37 0.03 0.00 -1.53 0.00 0.00 36.38 33.50 1k9m s VAL 40 CO 0.16 -0.31 1.21 -0.60 -3.33 0.00 0.00 175.10 172.23 1k9m s ARG 41 N -3.85 3.46 0.16 1.54 3.52 -1.11 -0.87 118.95 121.81 1k9m s ARG 41 Ca 0.06 0.17 -0.33 0.00 -0.13 0.00 0.00 55.73 55.51 1k9m s ARG 41 Cb 0.02 -4.04 -0.16 0.00 -1.56 0.00 0.00 34.95 29.21 1k9m s ARG 41 CO -0.08 -1.76 1.08 0.28 -0.81 0.00 0.00 175.30 174.02 1k9m n VAL 42 N 6.63 0.96 -4.38 7.11 0.31 -0.69 -4.97 118.33 123.28 1k9m n VAL 42 Ca 0.08 -0.24 -0.24 0.00 -0.01 0.00 0.00 64.34 63.93 1k9m n VAL 42 Cb 0.49 -0.68 -0.09 0.00 -0.91 0.00 0.00 33.84 32.65 1k9m n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1k9m s ASN 43 N -0.12 4.01 0.00 4.52 0.01 -1.26 -4.98 114.94 117.11 1k9m s ASN 43 Ca 0.73 -0.83 0.03 0.00 -0.71 0.00 0.00 52.86 52.08 1k9m s ASN 43 Cb -0.90 -0.55 0.15 0.00 0.41 0.00 0.00 41.25 40.37 1k9m s ASN 43 CO 0.53 0.04 0.49 0.00 -1.51 0.00 0.00 177.10 176.65 1k9m n ALA 44 N -0.60 1.81 -0.05 0.60 0.00 -1.26 -1.95 120.51 119.06 1k9m n ALA 44 Ca -0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 1k9m n ALA 44 Cb 0.59 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 1k9m n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9m n GLY 45 N -0.26 -0.59 3.67 0.00 0.00 -1.26 -4.54 105.19 102.21 1k9m n GLY 45 Ca 0.02 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1k9m n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k9m s ASP 46 N -4.29 2.93 -0.00 1.61 1.01 -0.82 -4.45 116.67 112.65 1k9m s ASP 46 Ca -0.06 2.07 0.02 0.00 0.71 0.00 0.00 52.55 55.30 1k9m s ASP 46 Cb 0.04 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 1k9m s ASP 46 CO 0.50 -3.07 -0.03 -0.89 0.21 0.00 0.00 175.17 171.88 1k9m s THR 47 N -2.67 3.92 0.09 -1.27 2.01 -0.53 -0.82 115.64 116.37 1k9m s THR 47 Ca 0.66 -0.67 -0.06 0.00 0.31 0.00 0.00 61.69 61.93 1k9m s THR 47 Cb -0.22 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 1k9m s THR 47 CO 0.58 0.40 0.12 -0.69 -0.69 0.00 0.00 174.62 174.34 1k9m s VAL 48 N -1.03 0.15 -0.10 3.82 1.01 0.40 -1.53 120.40 123.12 1k9m s VAL 48 Ca 0.18 -1.44 0.02 0.00 0.00 0.00 0.00 61.98 60.74 1k9m s VAL 48 Cb -0.11 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1k9m s VAL 48 CO 0.09 -0.70 -0.16 -1.83 0.00 0.00 0.00 175.10 172.50 1k9m s GLU 49 N -3.90 2.20 -0.11 2.72 -1.05 0.23 -1.39 118.70 117.39 1k9m s GLU 49 Ca 0.08 -0.56 -0.29 0.00 -0.15 0.00 0.00 54.97 54.04 1k9m s GLU 49 Cb 0.06 -1.83 -0.03 0.00 -0.44 0.00 0.00 34.13 31.88 1k9m s GLU 49 CO -0.09 -0.02 1.41 0.08 0.95 0.00 0.00 175.26 177.60 1k9m s VAL 50 N 0.86 3.98 -1.89 1.83 1.01 -0.33 -1.00 120.40 124.87 1k9m s VAL 50 Ca -0.09 1.21 0.18 0.00 0.00 0.00 0.00 61.98 63.27 1k9m s VAL 50 Cb -0.15 -3.78 0.06 0.00 0.00 0.00 0.00 36.38 32.51 1k9m s VAL 50 CO 0.01 -0.10 0.98 0.18 0.00 0.00 0.00 175.10 176.17 1k9m n LEU 51 N 6.67 2.07 0.00 3.92 4.77 0.04 0.53 117.00 135.00 1k9m n LEU 51 Ca 0.15 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 1k9m n LEU 51 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1k9m n LEU 51 CO 0.58 0.38 0.00 0.54 -1.33 0.00 0.00 177.39 177.56 1k9m n ARG 52 N 0.41 0.00 0.00 3.23 5.12 -1.23 -4.87 116.66 119.32 1k9m n ARG 52 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 1k9m n ARG 52 Cb 0.40 -0.49 0.00 0.00 -1.16 0.00 0.00 32.46 31.21 1k9m n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k9m n GLY 53 N 1.22 -2.60 0.16 -0.13 0.00 -1.26 -4.64 105.19 97.93 1k9m n GLY 53 Ca 0.00 -1.25 0.13 0.00 0.00 0.00 0.00 46.02 44.90 1k9m n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k9m h ASP 54 N 0.00 0.00 -0.23 1.61 3.45 -2.00 -2.53 116.42 116.72 1k9m h ASP 54 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1k9m h ASP 54 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1k9m h ASP 54 CO 0.00 0.00 0.00 0.49 -1.57 0.00 0.00 179.24 178.16 1k9m n PHE 55 N -2.54 0.29 -1.56 4.55 3.01 -1.26 -4.98 117.46 114.96 1k9m n PHE 55 Ca 0.04 -0.14 -0.48 0.00 1.01 0.00 0.00 57.45 57.88 1k9m n PHE 55 Cb 0.38 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.81 1k9m n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1k9m n ALA 56 N 1.04 -0.88 0.00 4.37 0.00 -0.96 -1.44 120.51 122.65 1k9m n ALA 56 Ca 0.17 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1k9m n ALA 56 Cb 0.51 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.98 1k9m n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9m n GLY 57 N 1.75 3.09 3.75 0.00 0.00 0.19 -4.97 105.19 109.00 1k9m n GLY 57 Ca 0.14 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1k9m n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k9m s GLU 58 N 0.00 2.38 0.08 1.61 2.02 -0.52 -4.74 118.70 119.53 1k9m s GLU 58 Ca 0.00 1.47 0.04 0.00 0.02 0.00 0.00 54.97 56.50 1k9m s GLU 58 Cb 0.00 -1.89 -0.03 0.00 0.10 0.00 0.00 34.13 32.31 1k9m s GLU 58 CO 0.00 -1.59 -0.12 -1.21 0.02 0.00 0.00 175.26 172.36 1k9m s GLU 59 N -4.22 0.79 -0.01 1.61 2.02 -1.26 -1.18 118.70 116.44 1k9m s GLU 59 Ca 0.68 -0.99 -0.29 0.00 0.02 0.00 0.00 54.97 54.38 1k9m s GLU 59 Cb -0.22 -0.65 0.11 0.00 0.10 0.00 0.00 34.13 33.47 1k9m s GLU 59 CO 0.46 0.13 1.28 0.20 0.02 0.00 0.00 175.26 177.35 1k9m s GLY 60 N -1.96 -0.31 0.09 -1.39 0.00 -0.48 -4.99 107.32 98.28 1k9m s GLY 60 Ca -0.01 0.46 -0.22 0.00 0.00 0.00 0.00 44.72 44.96 1k9m s GLY 60 CO 0.01 1.85 0.64 1.85 0.00 0.00 0.00 173.10 177.46 1k9m s GLU 61 N -2.29 4.34 -0.31 2.90 2.12 -1.26 -0.45 118.70 123.74 1k9m s GLU 61 Ca 0.19 0.88 -0.29 0.00 0.36 0.00 0.00 54.97 56.11 1k9m s GLU 61 Cb 0.03 -3.26 -0.00 0.00 0.26 0.00 0.00 34.13 31.15 1k9m s GLU 61 CO -0.03 0.57 1.44 0.08 -0.54 0.00 0.00 175.26 176.78 1k9m s VAL 62 N -0.95 3.92 0.01 3.70 1.01 0.00 -0.45 120.40 127.64 1k9m s VAL 62 Ca 0.32 1.01 0.11 0.00 0.00 0.00 0.00 61.98 63.42 1k9m s VAL 62 Cb -0.20 -4.02 -0.18 0.00 0.00 0.00 0.00 36.38 31.98 1k9m s VAL 62 CO 0.21 -0.50 1.06 0.40 0.00 0.00 0.00 175.10 176.27 1k9m h ILE 63 N 6.19 1.22 -2.47 2.22 1.08 0.12 -3.36 117.51 122.50 1k9m h ILE 63 Ca -0.29 -2.91 -0.06 0.00 -0.39 0.00 0.00 64.86 61.21 1k9m h ILE 63 Cb 1.12 2.58 -0.17 0.00 -3.07 0.00 0.00 36.82 37.27 1k9m h ILE 63 CO 1.04 0.69 0.09 0.21 -0.69 0.00 0.00 178.15 179.49 1k9m s ASN 64 N -6.39 -0.53 -0.11 1.72 2.47 -1.09 -4.95 114.94 106.07 1k9m s ASN 64 Ca -0.01 0.39 -0.02 0.00 0.42 0.00 0.00 52.86 53.64 1k9m s ASN 64 Cb 0.09 0.51 0.04 0.00 -1.45 0.00 0.00 41.25 40.43 1k9m s ASN 64 CO 0.81 -0.67 0.03 -0.69 -3.72 0.00 0.00 177.10 172.86 1k9m s VAL 65 N -1.89 0.29 -0.29 -5.21 1.01 -1.26 -0.68 120.40 112.37 1k9m s VAL 65 Ca -0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 1k9m s VAL 65 Cb -0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1k9m s VAL 65 CO 0.03 0.06 0.13 -0.62 0.00 0.00 0.00 175.10 174.70 1k9m s ASP 66 N 1.99 5.45 0.20 3.32 -1.08 0.45 -4.98 116.67 122.03 1k9m s ASP 66 Ca 0.03 -0.45 0.08 0.00 -0.52 0.00 0.00 52.55 51.69 1k9m s ASP 66 Cb -0.14 -1.98 0.10 0.00 -1.46 0.00 0.00 42.92 39.44 1k9m s ASP 66 CO -0.06 -0.15 1.46 -0.07 0.52 0.00 0.00 175.17 176.87 1k9m h LEU 67 N 8.32 0.04 0.53 -1.34 3.38 -1.95 -0.30 115.31 123.99 1k9m h LEU 67 Ca -0.33 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1k9m h LEU 67 Cb 1.15 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.90 1k9m h LEU 67 CO 0.60 0.81 -0.26 -0.78 0.09 0.00 0.00 178.44 178.91 1k9m h ASP 68 N 0.02 -0.61 0.14 -0.43 1.82 -1.95 -3.18 116.42 112.23 1k9m h ASP 68 Ca -0.01 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1k9m h ASP 68 Cb 1.39 0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.56 1k9m h ASP 68 CO 0.11 -0.21 -0.00 0.29 -1.61 0.00 0.00 179.24 177.82 1k9m n LYS 69 N -5.27 0.86 -3.81 0.28 5.02 -1.25 -4.93 118.16 109.07 1k9m n LYS 69 Ca -0.10 -0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 55.85 1k9m n LYS 69 Cb 0.31 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.85 1k9m n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k9m n ALA 70 N -1.06 -2.46 -2.83 7.82 0.00 -0.21 -4.98 120.51 116.79 1k9m n ALA 70 Ca 0.21 -0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 1k9m n ALA 70 Cb 0.15 -3.38 -0.07 0.00 0.00 0.00 0.00 19.45 16.15 1k9m n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1k9m s VAL 71 N -3.57 0.11 0.11 0.00 1.01 -0.67 -4.64 120.40 112.75 1k9m s VAL 71 Ca 0.39 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.53 1k9m s VAL 71 Cb -0.16 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1k9m s VAL 71 CO 0.89 -0.49 -0.12 0.27 0.00 0.00 0.00 175.10 175.64 1k9m s ILE 72 N -3.00 1.18 -0.21 2.22 -4.36 -0.92 -0.41 121.20 115.70 1k9m s ILE 72 Ca -0.02 -1.69 -0.07 0.00 -0.26 0.00 0.00 60.65 58.61 1k9m s ILE 72 Cb 0.01 -1.47 -0.03 0.00 1.25 0.00 0.00 42.46 42.21 1k9m s ILE 72 CO -0.06 -0.48 0.05 -1.00 0.24 0.00 0.00 174.94 173.70 1k9m s HIS 73 N -2.27 3.14 -0.07 1.37 3.76 0.15 -2.16 115.29 119.20 1k9m s HIS 73 Ca 0.08 -0.21 0.02 0.00 -0.15 0.00 0.00 55.06 54.80 1k9m s HIS 73 Cb -0.04 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.48 1k9m s HIS 73 CO 0.02 -0.12 -0.11 0.08 -0.85 0.00 0.00 174.74 173.76 1k9m s VAL 74 N 0.97 3.30 0.23 -0.90 1.01 -1.26 0.77 120.40 124.52 1k9m s VAL 74 Ca 0.03 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.08 1k9m s VAL 74 Cb -0.14 -2.33 -0.12 0.00 0.00 0.00 0.00 36.38 33.79 1k9m s VAL 74 CO 0.03 0.58 1.68 1.21 0.00 0.00 0.00 175.10 178.59 1k9m n GLU 75 N 2.53 2.73 -0.40 2.72 2.13 0.40 -2.34 120.64 128.41 1k9m n GLU 75 Ca -0.18 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1k9m n GLU 75 Cb 0.52 -2.80 0.00 0.00 0.27 0.00 0.00 31.44 29.43 1k9m n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1k9m n ASP 76 N 3.38 0.00 -4.41 4.31 8.00 -1.26 -4.60 116.55 121.97 1k9m n ASP 76 Ca 0.14 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.19 1k9m n ASP 76 Cb 0.35 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.44 1k9m n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k9m s VAL 77 N -3.33 5.18 0.41 2.53 1.01 -0.99 -4.97 120.40 120.24 1k9m s VAL 77 Ca 0.00 -2.30 0.05 0.00 0.00 0.00 0.00 61.98 59.73 1k9m s VAL 77 Cb 0.00 -4.72 -0.02 0.00 0.00 0.00 0.00 36.38 31.64 1k9m s VAL 77 CO 0.00 -1.38 0.18 0.42 0.00 0.00 0.00 175.10 174.32 1k9m s THR 78 N 1.30 0.37 0.04 3.92 -4.23 -1.26 -1.56 115.64 114.22 1k9m s THR 78 Ca 0.32 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.88 1k9m s THR 78 Cb -0.06 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.43 1k9m s THR 78 CO -0.07 0.00 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.10 1k9m s LEU 79 N -3.58 2.18 -0.47 4.79 1.43 0.41 -4.72 118.68 118.72 1k9m s LEU 79 Ca 0.26 -0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 52.65 1k9m s LEU 79 Cb 0.01 -0.66 0.03 0.00 0.03 0.00 0.00 46.19 45.61 1k9m s LEU 79 CO 0.18 0.05 0.82 -0.70 0.23 0.00 0.00 176.35 176.93 1k9m s GLU 80 N -1.19 3.39 1.07 1.70 2.56 -1.26 -1.09 118.70 123.88 1k9m s GLU 80 Ca 0.02 -0.14 -0.16 0.00 0.00 0.00 0.00 54.97 54.69 1k9m s GLU 80 Cb -0.08 -3.97 0.22 0.00 2.00 0.00 0.00 34.13 32.31 1k9m s GLU 80 CO 0.01 -1.21 1.15 0.15 -0.56 0.00 0.00 175.26 174.81 1k9m s LYS 81 N 3.44 -0.14 0.07 4.30 1.02 -0.02 -4.92 119.74 123.48 1k9m s LYS 81 Ca 0.30 0.05 -0.20 0.00 0.02 0.00 0.00 55.97 56.15 1k9m s LYS 81 Cb -0.12 -1.71 -0.11 0.00 -0.52 0.00 0.00 37.83 35.37 1k9m s LYS 81 CO 0.22 -3.02 1.48 1.15 -0.92 0.00 0.00 175.35 174.26 1k9m h THR 82 N -2.08 1.27 0.00 2.17 2.02 -1.97 -2.75 112.91 111.58 1k9m h THR 82 Ca -0.48 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 65.74 1k9m h THR 82 Cb 1.30 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1k9m h THR 82 CO 0.45 0.29 0.00 -0.90 0.37 0.00 0.00 175.52 175.73 1k9m n ASP 83 N -4.65 0.00 0.00 4.18 5.68 -1.26 -4.81 116.55 115.69 1k9m n ASP 83 Ca -0.04 -0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1k9m n ASP 83 Cb 0.26 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1k9m n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k9m n GLY 84 N -0.46 2.82 3.70 6.12 0.00 -1.04 -5.06 105.19 111.27 1k9m n GLY 84 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1k9m n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k9m s GLU 85 N -0.95 1.73 -0.22 1.61 2.12 -1.26 -4.65 118.70 117.08 1k9m s GLU 85 Ca 0.00 1.79 -0.01 0.00 0.36 0.00 0.00 54.97 57.10 1k9m s GLU 85 Cb 0.00 -1.78 0.02 0.00 0.26 0.00 0.00 34.13 32.62 1k9m s GLU 85 CO 0.00 -2.15 -0.09 -2.00 -0.54 0.00 0.00 175.26 170.48 1k9m s GLU 86 N -4.06 3.01 0.08 4.30 2.12 -1.26 -0.84 118.70 122.04 1k9m s GLU 86 Ca 0.74 -0.85 0.09 0.00 0.36 0.00 0.00 54.97 55.30 1k9m s GLU 86 Cb -0.30 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 1k9m s GLU 86 CO 0.49 -0.30 -0.21 0.14 -0.54 0.00 0.00 175.26 174.84 1k9m s VAL 87 N 1.35 2.58 0.54 3.70 -7.23 -0.25 -4.90 120.40 116.20 1k9m s VAL 87 Ca 0.03 -1.42 -0.22 0.00 -1.81 0.00 0.00 61.98 58.56 1k9m s VAL 87 Cb -0.15 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 1k9m s VAL 87 CO -0.06 0.23 1.33 -2.16 -0.31 0.00 0.00 175.10 174.13 1k9m s PRO 88 N -1.71 3.19 -0.44 4.82 0.04 -1.26 0.16 135.00 139.79 1k9m s PRO 88 Ca 0.15 2.17 -0.11 0.00 0.04 0.00 0.00 61.00 63.25 1k9m s PRO 88 Cb -0.10 -2.25 0.09 0.00 0.04 0.00 0.00 34.50 32.27 1k9m s PRO 88 CO 0.06 -1.13 0.31 0.50 0.04 0.00 0.00 177.00 176.78 1k9m s ARG 89 N -2.91 2.67 0.29 4.56 6.06 -0.60 -4.66 118.95 124.37 1k9m s ARG 89 Ca 0.71 -1.50 -0.28 0.00 -2.50 0.00 0.00 55.73 52.16 1k9m s ARG 89 Cb -0.39 -3.90 -0.14 0.00 0.06 0.00 0.00 34.95 30.59 1k9m s ARG 89 CO 0.46 -1.03 0.99 -2.30 -2.50 0.00 0.00 175.30 170.92 1k9m n PRO 90 N 4.99 1.31 -4.26 5.12 -0.02 -1.26 -4.78 135.00 136.10 1k9m n PRO 90 Ca -0.10 0.46 -0.21 0.00 -2.02 0.00 0.00 63.50 61.62 1k9m n PRO 90 Cb 0.43 -1.83 -0.12 0.00 -0.02 0.00 0.00 33.50 31.96 1k9m n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1k9m s LEU 91 N 0.49 2.33 -0.16 2.45 1.43 -0.92 -4.96 118.68 119.35 1k9m s LEU 91 Ca 0.59 -0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 52.81 1k9m s LEU 91 Cb -0.70 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 1k9m s LEU 91 CO 0.60 -0.02 0.36 -0.62 0.23 0.00 0.00 176.35 176.90 1k9m s ASP 92 N -2.08 6.50 0.64 2.29 -1.08 -1.26 -2.16 116.67 119.51 1k9m s ASP 92 Ca 0.06 0.58 0.29 0.00 -0.52 0.00 0.00 52.55 52.97 1k9m s ASP 92 Cb -0.08 -2.22 1.59 0.00 -1.46 0.00 0.00 42.92 40.74 1k9m s ASP 92 CO 0.04 0.03 1.93 0.71 0.52 0.00 0.00 175.17 178.40 1k9m h THR 93 N 4.78 0.15 0.00 1.71 1.35 -1.82 0.81 112.91 119.89 1k9m h THR 93 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1k9m h THR 93 Cb 1.17 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1k9m h THR 93 CO 0.75 0.00 0.00 -1.28 -0.25 0.00 0.00 175.52 174.74 1k9m h SER 94 N 0.00 0.00 -0.46 5.36 0.87 -1.90 -1.59 113.55 115.82 1k9m h SER 94 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1k9m h SER 94 Cb 0.80 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1k9m h SER 94 CO -0.00 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.89 1k9m n ASN 95 N -2.79 4.87 -4.29 6.23 3.02 0.28 -4.96 115.26 117.62 1k9m n ASN 95 Ca 0.00 -2.88 -0.21 0.00 -0.03 0.00 0.00 54.58 51.47 1k9m n ASN 95 Cb 0.22 -0.61 -0.11 0.00 -0.61 0.00 0.00 39.78 38.67 1k9m n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k9m s VAL 96 N -2.62 1.61 -0.05 2.41 1.01 -0.60 -0.78 120.40 121.39 1k9m s VAL 96 Ca 0.49 -1.79 0.02 0.00 0.00 0.00 0.00 61.98 60.69 1k9m s VAL 96 Cb 0.37 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 35.08 1k9m s VAL 96 CO 0.14 -0.32 -0.09 -0.60 0.00 0.00 0.00 175.10 174.23 1k9m s ARG 97 N -2.64 1.21 -0.21 2.72 3.52 -0.17 -3.72 118.95 119.67 1k9m s ARG 97 Ca 0.12 -0.27 -0.28 0.00 -0.13 0.00 0.00 55.73 55.17 1k9m s ARG 97 Cb -0.06 -1.08 0.00 0.00 -1.56 0.00 0.00 34.95 32.25 1k9m s ARG 97 CO 0.05 0.01 0.96 0.08 -0.81 0.00 0.00 175.30 175.59 1k9m s VAL 98 N 0.66 4.75 -0.12 7.11 1.01 -0.70 0.75 120.40 133.86 1k9m s VAL 98 Ca -0.11 1.88 0.15 0.00 0.00 0.00 0.00 61.98 63.89 1k9m s VAL 98 Cb -0.14 -4.24 -0.22 0.00 0.00 0.00 0.00 36.38 31.78 1k9m s VAL 98 CO 0.02 -0.11 0.37 0.35 0.00 0.00 0.00 175.10 175.73 1k9m n THR 99 N 5.13 0.00 -3.81 3.92 -2.24 -0.59 -2.05 114.28 114.64 1k9m n THR 99 Ca 0.09 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 1k9m n THR 99 Cb 0.47 0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 68.88 1k9m n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1k9m s ASP 100 N -3.52 -0.16 0.02 3.42 -1.08 -1.14 -4.96 116.67 109.25 1k9m s ASP 100 Ca -0.04 0.22 0.06 0.00 -0.52 0.00 0.00 52.55 52.28 1k9m s ASP 100 Cb 0.10 0.37 -0.03 0.00 -1.46 0.00 0.00 42.92 41.90 1k9m s ASP 100 CO 0.62 -0.21 -0.17 -0.76 0.52 0.00 0.00 175.17 175.18 1k9m s LEU 101 N -0.49 2.66 -0.40 -1.34 1.43 -1.26 -1.45 118.68 117.84 1k9m s LEU 101 Ca -0.06 -0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 52.52 1k9m s LEU 101 Cb -0.04 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.65 1k9m s LEU 101 CO 0.01 0.28 0.40 -0.62 0.23 0.00 0.00 176.35 176.66 1k9m s ASP 102 N -1.25 6.18 -0.29 2.29 -1.08 -1.26 -4.88 116.67 116.38 1k9m s ASP 102 Ca 0.14 -0.56 0.09 0.00 -0.52 0.00 0.00 52.55 51.70 1k9m s ASP 102 Cb -0.11 -2.21 0.51 0.00 -1.46 0.00 0.00 42.92 39.66 1k9m s ASP 102 CO 0.04 -0.50 1.48 0.18 0.52 0.00 0.00 175.17 176.89 1k9m n LEU 103 N 5.50 4.19 0.14 -1.34 4.77 -1.26 -4.67 117.00 124.33 1k9m n LEU 103 Ca -0.08 -3.75 0.09 0.00 -0.03 0.00 0.00 56.01 52.25 1k9m n LEU 103 Cb 0.48 -0.64 0.50 0.00 -2.33 0.00 0.00 43.42 41.43 1k9m n LEU 103 CO 0.44 1.23 0.78 -0.62 -1.33 0.00 0.00 177.39 177.90 1k9m n GLU 104 N -1.10 0.12 -3.22 3.23 1.02 -1.26 -4.47 120.64 114.96 1k9m n GLU 104 Ca 0.34 0.61 -0.41 0.00 -0.02 0.00 0.00 57.16 57.67 1k9m n GLU 104 Cb 1.05 -1.88 -0.08 0.00 -0.02 0.00 0.00 31.44 30.51 1k9m n GLU 104 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1k9m s ASP 105 N -3.88 6.36 0.21 1.62 -1.08 -1.26 -4.94 116.67 113.70 1k9m s ASP 105 Ca -0.02 0.13 -0.09 0.00 -0.52 0.00 0.00 52.55 52.05 1k9m s ASP 105 Cb 0.05 -2.28 0.29 0.00 -1.46 0.00 0.00 42.92 39.52 1k9m s ASP 105 CO 0.18 -0.45 1.73 -0.33 0.52 0.00 0.00 175.17 176.82 1k9m h GLU 106 N 8.35 0.35 -0.63 4.34 5.08 -2.00 -1.17 114.58 128.91 1k9m h GLU 106 Ca -0.28 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1k9m h GLU 106 Cb 1.13 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1k9m h GLU 106 CO 0.77 0.23 0.39 0.87 -1.00 0.00 0.00 179.01 180.27 1k9m h LYS 107 N 0.36 0.85 0.28 2.33 1.57 -1.94 0.24 116.57 120.26 1k9m h LYS 107 Ca 0.31 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1k9m h LYS 107 Cb 0.42 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1k9m h LYS 107 CO -0.34 0.60 -0.13 -0.09 -0.57 0.00 0.00 179.45 178.92 1k9m h ARG 108 N 0.86 -0.36 -0.94 3.15 2.43 -1.78 -1.75 114.38 115.99 1k9m h ARG 108 Ca 0.23 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.53 1k9m h ARG 108 Cb -0.04 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.52 1k9m h ARG 108 CO -0.04 -0.05 0.57 1.49 -1.51 0.00 0.00 179.97 180.43 1k9m h GLU 109 N -0.68 0.91 -0.07 0.20 4.81 -1.16 0.18 114.58 118.77 1k9m h GLU 109 Ca -0.04 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1k9m h GLU 109 Cb 0.47 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1k9m h GLU 109 CO 0.06 0.60 -0.06 0.00 -0.73 0.00 0.00 179.01 178.88 1k9m h ALA 110 N 1.50 -0.00 -0.50 2.92 0.00 -0.38 -1.06 119.26 121.73 1k9m h ALA 110 Ca 0.45 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1k9m h ALA 110 Cb 0.41 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1k9m h ALA 110 CO -0.25 -0.53 0.30 0.00 0.00 0.00 0.00 179.25 178.76 1k9m h ARG 111 N -0.08 0.69 -0.09 0.00 3.08 -0.49 -1.59 114.38 115.90 1k9m h ARG 111 Ca 0.05 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1k9m h ARG 111 Cb 0.15 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1k9m h ARG 111 CO -0.12 0.51 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.03 1k9m h LEU 112 N 0.67 -0.60 0.20 3.04 3.38 -0.11 -3.18 115.31 118.71 1k9m h LEU 112 Ca 0.18 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1k9m h LEU 112 Cb 0.00 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1k9m h LEU 112 CO -0.03 -0.25 -0.10 -0.33 0.09 0.00 0.00 178.44 177.82 1k9m h GLU 113 N -0.27 -0.26 -6.25 1.13 5.08 -1.09 -3.45 114.58 109.47 1k9m h GLU 113 Ca 0.09 0.02 -0.54 0.00 -1.00 0.00 0.00 59.36 57.92 1k9m h GLU 113 Cb 0.39 0.06 0.23 0.00 0.50 0.00 0.00 28.75 29.93 1k9m h GLU 113 CO -0.25 0.00 -1.48 -1.13 -1.00 0.00 0.00 179.01 175.15 1k9m n SER 114 N -5.10 -4.69 -0.51 1.42 3.41 -0.61 -4.90 113.62 102.64 1k9m n SER 114 Ca -0.09 0.22 0.05 0.00 -0.26 0.00 0.00 58.87 58.79 1k9m n SER 114 Cb 0.21 -0.89 0.09 0.00 -0.26 0.00 0.00 64.21 63.36 1k9m n SER 114 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1k9m n GLU 115 N 1.14 1.59 -0.01 4.33 0.28 -1.26 -4.47 120.64 122.23 1k9m n GLU 115 Ca 0.01 -1.54 0.04 0.00 -0.16 0.00 0.00 57.16 55.51 1k9m n GLU 115 Cb 0.56 -1.23 0.04 0.00 1.43 0.00 0.00 31.44 32.25 1k9m n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1k9m n ASP 116 N 0.53 1.81 -3.89 -1.84 8.00 -1.26 -5.01 116.55 114.89 1k9m n ASP 116 Ca 0.08 -1.42 -0.09 0.00 0.71 0.00 0.00 54.79 54.07 1k9m n ASP 116 Cb 0.33 -0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.34 1k9m n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k9m s ASP 117 N -0.75 0.15 0.04 -2.24 -1.08 -1.26 -5.17 116.67 106.36 1k9m s ASP 117 Ca 0.11 -0.60 0.06 0.00 -0.52 0.00 0.00 52.55 51.61 1k9m s ASP 117 Cb 0.07 0.29 -0.02 0.00 -1.46 0.00 0.00 42.92 41.80 1k9m s ASP 117 CO 0.11 -0.63 -0.18 -0.94 0.52 0.00 0.00 175.17 174.05 1k9m s SER 118 N -2.52 2.19 0.00 -0.34 1.04 -1.26 -4.75 113.70 108.05 1k9m s SER 118 Ca 0.01 -0.50 0.11 0.00 0.48 0.00 0.00 55.95 56.05 1k9m s SER 118 Cb 0.03 -0.17 0.09 0.00 0.10 0.00 0.00 66.02 66.06 1k9m s SER 118 CO -0.08 0.12 0.84 0.00 0.98 0.00 0.00 173.24 175.10