#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9f n VAL 2 N 0.00 2.32 0.12 1.12 0.24 -1.26 -4.90 118.33 115.97 2k9f n VAL 2 Ca 0.00 -5.20 0.02 0.00 -2.04 0.00 0.00 64.34 57.12 2k9f n VAL 2 Cb 0.00 -2.11 0.37 0.00 -1.47 0.00 0.00 33.84 30.63 2k9f n VAL 2 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2k9f h PRO 3 N 4.31 0.22 -0.71 7.34 0.13 -2.03 -2.67 132.00 138.59 2k9f h PRO 3 Ca 0.19 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 2k9f h PRO 3 Cb 0.67 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.74 2k9f h PRO 3 CO 0.83 0.40 0.37 1.12 -0.23 0.00 0.00 178.00 180.50 2k9f h HIS 4 N 0.21 1.00 -0.36 1.56 2.07 -1.98 -0.95 115.15 116.70 2k9f h HIS 4 Ca 0.04 -0.03 -0.09 0.00 -2.85 0.00 0.00 60.37 57.44 2k9f h HIS 4 Cb 0.44 -0.32 -0.01 0.00 2.57 0.00 0.00 27.41 30.09 2k9f h HIS 4 CO 0.01 0.72 -0.12 1.15 -3.07 0.00 0.00 177.93 176.62 2k9f h THR 5 N 0.99 1.28 -0.42 6.12 2.02 -1.91 -1.90 112.91 119.09 2k9f h THR 5 Ca 0.25 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 2k9f h THR 5 Cb 0.07 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 2k9f h THR 5 CO -0.04 0.40 0.16 0.25 0.37 0.00 0.00 175.52 176.66 2k9f h LEU 6 N 0.50 0.53 0.00 2.58 5.85 -1.22 -0.89 115.31 122.66 2k9f h LEU 6 Ca 0.09 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2k9f h LEU 6 Cb 0.64 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2k9f h LEU 6 CO 0.04 0.49 -0.03 -1.20 -0.34 0.00 0.00 178.44 177.39 2k9f n SER 7 N -4.37 0.64 0.04 1.25 7.64 -0.38 -2.96 113.62 115.47 2k9f n SER 7 Ca 0.03 0.53 0.13 0.00 1.01 0.00 0.00 58.87 60.57 2k9f n SER 7 Cb 0.15 -0.68 0.36 0.00 -1.01 0.00 0.00 64.21 63.02 2k9f n SER 7 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2k9f n THR 8 N -2.09 0.22 -1.67 0.44 -1.04 -0.36 -4.53 114.28 105.25 2k9f n THR 8 Ca 0.06 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.51 2k9f n THR 8 Cb 0.41 -0.22 -0.03 0.00 -1.82 0.00 0.00 70.33 68.67 2k9f n THR 8 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2k9f n LEU 9 N -1.82 4.08 -4.60 -4.42 7.99 -1.12 -4.91 117.00 112.20 2k9f n LEU 9 Ca 0.05 0.92 -0.34 0.00 -0.01 0.00 0.00 56.01 56.63 2k9f n LEU 9 Cb 0.38 -1.51 -0.10 0.00 -0.11 0.00 0.00 43.42 42.08 2k9f n LEU 9 CO 0.32 0.17 -0.31 -0.54 -1.51 0.00 0.00 177.39 175.53 2k9f s LYS 10 N 4.17 3.54 0.95 3.23 3.01 -1.26 -0.51 119.74 132.88 2k9f s LYS 10 Ca 0.88 -0.43 -0.13 0.00 -1.01 0.00 0.00 55.97 55.28 2k9f s LYS 10 Cb -0.47 -2.97 0.16 0.00 -1.01 0.00 0.00 37.83 33.55 2k9f s LYS 10 CO 0.42 0.40 1.14 0.95 0.51 0.00 0.00 175.35 178.78 2k9f s THR 11 N -0.05 1.97 -0.73 2.17 -4.23 0.93 -0.48 115.64 115.22 2k9f s THR 11 Ca 0.04 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.72 2k9f s THR 11 Cb -0.13 -2.70 0.16 0.00 1.34 0.00 0.00 72.50 71.17 2k9f s THR 11 CO 0.02 0.00 1.53 0.00 -0.54 0.00 0.00 174.62 175.63 2k9f n ALA 12 N -3.92 1.53 0.32 3.99 0.00 0.14 -0.95 120.51 121.63 2k9f n ALA 12 Ca 0.07 0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.65 2k9f n ALA 12 Cb 0.59 -1.28 0.27 0.00 0.00 0.00 0.00 19.45 19.03 2k9f n ALA 12 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k9f n ASP 13 N -1.85 3.04 -0.65 0.00 2.03 -1.26 -4.88 116.55 112.96 2k9f n ASP 13 Ca 0.02 -1.96 -0.09 0.00 0.52 0.00 0.00 54.79 53.29 2k9f n ASP 13 Cb 0.16 -0.32 -0.04 0.00 -0.72 0.00 0.00 41.12 40.21 2k9f n ASP 13 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k9f n ASN 14 N 1.18 -4.16 -4.82 1.67 4.13 -0.13 -5.02 115.26 108.12 2k9f n ASN 14 Ca 0.19 0.21 -0.34 0.00 1.68 0.00 0.00 54.58 56.32 2k9f n ASN 14 Cb 0.50 -2.41 -0.07 0.00 -1.54 0.00 0.00 39.78 36.27 2k9f n ASN 14 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2k9f s ARG 15 N -2.62 3.22 0.40 3.52 0.52 -1.26 -4.81 118.95 117.93 2k9f s ARG 15 Ca 0.00 -0.37 -0.26 0.00 -0.52 0.00 0.00 55.73 54.58 2k9f s ARG 15 Cb 0.00 -2.97 -0.09 0.00 0.52 0.00 0.00 34.95 32.41 2k9f s ARG 15 CO 0.00 0.69 1.34 -1.25 0.02 0.00 0.00 175.30 176.10 2k9f s PRO 16 N -1.55 3.98 0.00 3.54 0.04 -1.26 -0.05 135.00 139.69 2k9f s PRO 16 Ca 0.21 2.25 0.10 0.00 0.04 0.00 0.00 61.00 63.60 2k9f s PRO 16 Cb -0.12 -2.80 0.45 0.00 0.04 0.00 0.00 34.50 32.07 2k9f s PRO 16 CO 0.12 -0.52 1.28 0.00 0.04 0.00 0.00 177.00 177.92 2k9f n ALA 17 N 0.19 1.52 0.26 8.56 0.00 0.33 -2.79 120.51 128.57 2k9f n ALA 17 Ca 0.03 -0.04 0.17 0.00 0.00 0.00 0.00 53.44 53.61 2k9f n ALA 17 Cb 0.43 -1.16 0.91 0.00 0.00 0.00 0.00 19.45 19.62 2k9f n ALA 17 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k9f h SER 18 N 0.00 0.00 0.30 0.00 0.02 -1.83 -0.38 113.55 111.66 2k9f h SER 18 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k9f h SER 18 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2k9f h SER 18 CO 0.00 0.00 0.00 -0.37 -1.14 0.00 0.00 176.83 175.32 2k9f h VAL 19 N 0.00 0.00 0.00 2.27 -1.51 -1.91 -1.45 116.25 113.64 2k9f h VAL 19 Ca 0.05 -0.14 -0.02 0.00 -1.23 0.00 0.00 66.70 65.36 2k9f h VAL 19 Cb 0.32 1.03 -0.05 0.00 -2.13 0.00 0.00 31.29 30.47 2k9f h VAL 19 CO -0.00 0.00 -0.37 -1.22 -1.23 0.00 0.00 177.57 174.75 2k9f n TYR 20 N -2.88 0.00 -3.11 5.19 4.02 -0.17 -4.78 117.16 115.43 2k9f n TYR 20 Ca -0.02 -0.91 -0.18 0.00 -0.01 0.00 0.00 57.90 56.79 2k9f n TYR 20 Cb 0.13 -0.16 -0.02 0.00 -0.02 0.00 0.00 39.34 39.27 2k9f n TYR 20 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2k9f n LEU 21 N -0.85 1.16 0.00 7.72 4.77 -0.55 -4.81 117.00 124.44 2k9f n LEU 21 Ca 0.13 -4.91 -0.11 0.00 -0.03 0.00 0.00 56.01 51.09 2k9f n LEU 21 Cb 0.73 0.60 -0.00 0.00 -2.33 0.00 0.00 43.42 42.42 2k9f n LEU 21 CO -0.01 2.21 0.31 0.29 -1.33 0.00 0.00 177.39 178.86 2k9f n LYS 22 N 0.20 0.82 -1.11 3.23 5.02 -1.25 -4.84 118.16 120.23 2k9f n LYS 22 Ca 0.24 -2.25 -0.04 0.00 -2.02 0.00 0.00 58.31 54.24 2k9f n LYS 22 Cb 0.66 2.45 -0.02 0.00 -0.02 0.00 0.00 35.03 38.10 2k9f n LYS 22 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k9f n LYS 23 N -0.50 -1.22 -3.59 1.97 4.81 -1.26 -3.03 118.16 115.35 2k9f n LYS 23 Ca -0.04 0.51 -0.26 0.00 -0.87 0.00 0.00 58.31 57.65 2k9f n LYS 23 Cb 0.53 -4.52 0.03 0.00 0.02 0.00 0.00 35.03 31.09 2k9f n LYS 23 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k9f n ASP 24 N -0.54 -5.24 -4.73 3.14 8.00 -1.26 -4.99 116.55 110.93 2k9f n ASP 24 Ca -0.04 -0.57 -0.29 0.00 0.71 0.00 0.00 54.79 54.60 2k9f n ASP 24 Cb 0.36 -4.20 -0.07 0.00 -0.02 0.00 0.00 41.12 37.20 2k9f n ASP 24 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2k9f s LYS 25 N -6.28 2.69 0.70 -1.24 1.02 -1.17 -4.80 119.74 110.66 2k9f s LYS 25 Ca 0.54 -0.84 -0.16 0.00 0.02 0.00 0.00 55.97 55.53 2k9f s LYS 25 Cb -0.26 -2.59 0.01 0.00 -0.52 0.00 0.00 37.83 34.47 2k9f s LYS 25 CO 0.66 0.53 1.18 -0.35 -0.92 0.00 0.00 175.35 176.45 2k9f n PRO 26 N 0.27 0.73 -5.08 -1.68 -0.04 -1.26 -4.71 135.00 123.22 2k9f n PRO 26 Ca -0.10 0.31 -0.31 0.00 -0.04 0.00 0.00 63.50 63.37 2k9f n PRO 26 Cb 0.53 -2.42 -0.15 0.00 -0.04 0.00 0.00 33.50 31.42 2k9f n PRO 26 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2k9f s THR 27 N -1.67 2.28 -0.42 0.52 2.01 -0.74 -1.25 115.64 116.37 2k9f s THR 27 Ca 0.78 -1.15 0.03 0.00 0.31 0.00 0.00 61.69 61.67 2k9f s THR 27 Cb -0.35 -1.85 0.12 0.00 0.01 0.00 0.00 72.50 70.43 2k9f s THR 27 CO 0.45 0.50 0.16 -0.22 -0.69 0.00 0.00 174.62 174.82 2k9f s LEU 28 N -0.88 4.10 -0.23 4.42 2.96 0.12 -0.35 118.68 128.82 2k9f s LEU 28 Ca 0.11 -2.49 -0.17 0.00 -0.22 0.00 0.00 54.13 51.36 2k9f s LEU 28 Cb -0.10 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2k9f s LEU 28 CO 0.01 -0.31 0.46 -0.63 -1.32 0.00 0.00 176.35 174.55 2k9f s ILE 29 N 0.45 5.13 -0.09 6.68 1.01 -0.60 -0.70 121.20 133.09 2k9f s ILE 29 Ca 0.14 0.79 0.03 0.00 0.00 0.00 0.00 60.65 61.61 2k9f s ILE 29 Cb -0.22 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.47 2k9f s ILE 29 CO -0.06 0.17 -0.20 -0.75 0.00 0.00 0.00 174.94 174.10 2k9f s LYS 30 N 1.82 2.57 -0.02 2.79 2.36 0.15 0.17 119.74 129.57 2k9f s LYS 30 Ca 0.20 -0.71 -0.16 0.00 -2.55 0.00 0.00 55.97 52.75 2k9f s LYS 30 Cb -0.15 -1.99 -0.05 0.00 -1.05 0.00 0.00 37.83 34.58 2k9f s LYS 30 CO 0.09 0.12 0.43 -0.06 1.55 0.00 0.00 175.35 177.48 2k9f s PHE 31 N 0.48 3.69 0.30 4.03 0.40 0.01 -0.76 117.98 126.13 2k9f s PHE 31 Ca -0.17 0.99 0.03 0.00 -0.60 0.00 0.00 56.93 57.17 2k9f s PHE 31 Cb -0.17 -2.35 -0.05 0.00 0.51 0.00 0.00 43.02 40.96 2k9f s PHE 31 CO 0.07 0.54 0.10 1.67 0.70 0.00 0.00 175.22 178.30 2k9f s TRP 32 N -0.73 1.69 -0.03 0.36 1.48 -1.22 -2.96 118.94 117.53 2k9f s TRP 32 Ca 0.24 -1.18 0.05 0.00 -1.06 0.00 0.00 56.10 54.16 2k9f s TRP 32 Cb -0.17 -1.02 -0.01 0.00 -1.16 0.00 0.00 33.47 31.12 2k9f s TRP 32 CO 0.13 -0.28 -0.19 0.00 -4.06 0.00 0.00 176.95 172.54 2k9f s ALA 33 N -3.54 1.66 0.06 2.67 0.00 -1.26 -4.80 121.76 116.55 2k9f s ALA 33 Ca 0.35 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 51.35 2k9f s ALA 33 Cb 0.07 -0.48 -0.28 0.00 0.00 0.00 0.00 23.12 22.43 2k9f s ALA 33 CO 0.15 0.35 1.13 0.77 0.00 0.00 0.00 175.76 178.16 2k9f h SER 34 N 5.94 0.90 -0.46 0.00 0.02 -2.01 -3.27 113.55 114.67 2k9f h SER 34 Ca -0.35 -0.80 -0.15 0.00 -0.84 0.00 0.00 61.79 59.65 2k9f h SER 34 Cb 1.16 -0.28 -0.09 0.00 0.14 0.00 0.00 62.40 63.33 2k9f h SER 34 CO 0.48 1.60 0.19 -2.67 -1.14 0.00 0.00 176.83 175.29 2k9f n TRP 35 N -3.81 1.51 -4.39 3.45 4.27 -1.26 -4.86 117.44 112.35 2k9f n TRP 35 Ca -0.13 -0.86 -0.33 0.00 -3.89 0.00 0.00 57.50 52.29 2k9f n TRP 35 Cb 0.96 -0.50 -0.15 0.00 -1.36 0.00 0.00 31.31 30.26 2k9f n TRP 35 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2k9f h PRO 37 N 7.46 0.97 -0.10 0.00 0.13 -1.90 -1.53 132.00 137.03 2k9f h PRO 37 Ca -0.35 -0.18 -0.06 0.00 -0.87 0.00 0.00 66.00 64.54 2k9f h PRO 37 Cb 1.18 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 2k9f h PRO 37 CO 0.58 0.81 -0.23 -0.07 -0.23 0.00 0.00 178.00 178.86 2k9f h LEU 38 N 0.91 0.16 0.00 1.56 3.38 -1.96 -2.12 115.31 117.24 2k9f h LEU 38 Ca 0.22 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2k9f h LEU 38 Cb 0.21 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2k9f h LEU 38 CO -0.02 0.41 -0.31 0.00 0.09 0.00 0.00 178.44 178.61 2k9f h LEU 40 N 0.00 0.42 -1.27 0.00 3.38 -0.58 -3.05 115.31 114.22 2k9f h LEU 40 Ca 0.00 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.38 2k9f h LEU 40 Cb 0.75 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2k9f h LEU 40 CO 0.00 0.90 -0.11 0.28 0.09 0.00 0.00 178.44 179.60 2k9f h SER 41 N -0.05 0.00 0.87 -0.43 0.02 -1.67 -2.75 113.55 109.53 2k9f h SER 41 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2k9f h SER 41 Cb 0.84 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 2k9f h SER 41 CO 0.05 0.11 -0.20 -0.08 -1.14 0.00 0.00 176.83 175.58 2k9f h GLU 42 N 0.00 0.00 0.30 3.45 4.22 -1.61 -3.24 114.58 117.70 2k9f h GLU 42 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 2k9f h GLU 42 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2k9f h GLU 42 CO 0.01 0.20 -0.21 -0.07 -2.18 0.00 0.00 179.01 176.77 2k9f h LEU 43 N 0.00 -0.53 -1.39 1.64 3.38 -1.42 0.22 115.31 117.22 2k9f h LEU 43 Ca -0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k9f h LEU 43 Cb 0.69 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 2k9f h LEU 43 CO 0.03 -0.32 0.34 1.23 0.09 0.00 0.00 178.44 179.80 2k9f h GLY 44 N -0.50 0.81 1.02 0.83 0.00 -1.74 -1.84 103.07 101.64 2k9f h GLY 44 Ca -0.03 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 2k9f h GLY 44 CO 0.01 0.31 -0.07 -1.61 0.00 0.00 0.00 176.54 175.19 2k9f h GLN 45 N 0.77 0.88 -0.55 4.80 4.15 -1.54 -1.90 115.11 121.72 2k9f h GLN 45 Ca 0.20 -0.32 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 2k9f h GLN 45 Cb -0.03 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 2k9f h GLN 45 CO -0.04 0.96 0.29 1.15 -1.93 0.00 0.00 178.83 179.26 2k9f h THR 46 N 0.73 1.19 -0.64 2.39 2.02 -0.27 -1.26 112.91 117.07 2k9f h THR 46 Ca 0.13 -0.48 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 2k9f h THR 46 Cb 0.60 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2k9f h THR 46 CO 0.04 0.20 0.06 -0.08 0.37 0.00 0.00 175.52 176.11 2k9f h GLU 47 N 0.74 1.09 -0.84 6.66 4.22 -1.27 0.99 114.58 126.17 2k9f h GLU 47 Ca 0.19 -0.31 -0.03 0.00 0.08 0.00 0.00 59.36 59.28 2k9f h GLU 47 Cb 0.06 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2k9f h GLU 47 CO -0.03 1.03 0.39 -0.22 -2.18 0.00 0.00 179.01 178.00 2k9f h LYS 48 N 1.01 1.22 -0.06 1.92 3.64 -1.01 -2.41 116.57 120.88 2k9f h LYS 48 Ca 0.19 -0.19 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 2k9f h LYS 48 Cb 0.49 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2k9f h LYS 48 CO 0.02 0.95 -0.73 -1.49 -2.27 0.00 0.00 179.45 175.92 2k9f h TRP 49 N 1.20 0.45 0.00 1.91 6.55 -0.93 -2.94 115.95 122.19 2k9f h TRP 49 Ca 0.29 -0.20 0.00 0.00 0.95 0.00 0.00 58.89 59.93 2k9f h TRP 49 Cb 0.14 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 28.37 2k9f h TRP 49 CO 0.02 0.95 0.00 0.00 -1.05 0.00 0.00 178.44 178.35 2k9f n ALA 50 N -2.49 1.42 -0.19 1.49 0.00 0.32 -1.18 120.51 119.87 2k9f n ALA 50 Ca -0.04 0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.55 2k9f n ALA 50 Cb 0.71 -1.32 0.12 0.00 0.00 0.00 0.00 19.45 18.96 2k9f n ALA 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k9f n GLN 51 N -2.10 2.88 -2.81 0.00 1.13 -1.02 -4.85 117.38 110.61 2k9f n GLN 51 Ca 0.01 -1.97 -0.40 0.00 -1.94 0.00 0.00 57.00 52.70 2k9f n GLN 51 Cb 0.14 -1.24 -0.06 0.00 0.11 0.00 0.00 30.24 29.19 2k9f n GLN 51 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2k9f s ASP 52 N -1.07 7.56 0.38 1.08 -1.08 -0.32 -4.96 116.67 118.26 2k9f s ASP 52 Ca 0.19 1.86 0.07 0.00 -0.52 0.00 0.00 52.55 54.15 2k9f s ASP 52 Cb 0.11 -2.58 0.77 0.00 -1.46 0.00 0.00 42.92 39.76 2k9f s ASP 52 CO 0.12 0.16 1.96 0.00 0.52 0.00 0.00 175.17 177.92 2k9f h ALA 53 N 4.13 1.55 0.07 3.66 0.00 -1.93 -1.19 119.26 125.54 2k9f h ALA 53 Ca -0.46 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.05 2k9f h ALA 53 Cb 1.20 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.88 2k9f h ALA 53 CO 0.67 0.34 -1.13 0.87 0.00 0.00 0.00 179.25 180.00 2k9f h LYS 54 N 0.41 0.51 0.00 0.00 1.79 -1.92 -3.15 116.57 114.20 2k9f h LYS 54 Ca 0.10 -0.65 0.00 0.00 -2.18 0.00 0.00 60.65 57.92 2k9f h LYS 54 Cb 0.21 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2k9f h LYS 54 CO 0.00 1.26 0.00 1.19 -1.08 0.00 0.00 179.45 180.83 2k9f n PHE 55 N -3.74 0.05 0.42 -1.35 3.01 -1.07 -3.14 117.46 111.64 2k9f n PHE 55 Ca -0.10 0.02 0.09 0.00 1.01 0.00 0.00 57.45 58.46 2k9f n PHE 55 Cb 0.93 -0.53 0.39 0.00 -0.01 0.00 0.00 39.48 40.27 2k9f n PHE 55 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2k9f n SER 56 N -1.54 0.33 -0.01 4.37 2.88 -0.47 -2.02 113.62 117.15 2k9f n SER 56 Ca 0.06 0.59 0.15 0.00 -1.33 0.00 0.00 58.87 58.34 2k9f n SER 56 Cb 0.30 -0.65 0.85 0.00 -0.75 0.00 0.00 64.21 63.96 2k9f n SER 56 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k9f n SER 57 N -1.87 0.02 -4.17 -3.46 7.64 -1.19 -4.81 113.62 105.78 2k9f n SER 57 Ca 0.03 -0.57 -0.11 0.00 1.01 0.00 0.00 58.87 59.23 2k9f n SER 57 Cb 0.19 -0.14 -0.10 0.00 -1.01 0.00 0.00 64.21 63.14 2k9f n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9f s ALA 58 N -2.30 1.01 -0.81 -0.43 0.00 -0.86 -4.64 121.76 113.75 2k9f s ALA 58 Ca 0.38 -1.33 -0.17 0.00 0.00 0.00 0.00 51.96 50.84 2k9f s ALA 58 Cb 0.21 0.14 0.16 0.00 0.00 0.00 0.00 23.12 23.63 2k9f s ALA 58 CO 0.42 -0.20 0.88 -0.80 0.00 0.00 0.00 175.76 176.06 2k9f s ASN 59 N -2.97 6.58 -0.15 0.00 0.01 -0.38 -4.94 114.94 113.09 2k9f s ASN 59 Ca 0.11 -2.16 -0.26 0.00 -0.71 0.00 0.00 52.86 49.85 2k9f s ASN 59 Cb 0.04 -2.30 -0.02 0.00 0.41 0.00 0.00 41.25 39.38 2k9f s ASN 59 CO -0.04 -0.88 0.85 -0.22 -1.51 0.00 0.00 177.10 175.30 2k9f s LEU 60 N 1.69 4.20 -0.01 0.60 0.20 -1.26 0.14 118.68 124.24 2k9f s LEU 60 Ca 0.22 1.24 -0.01 0.00 0.69 0.00 0.00 54.13 56.27 2k9f s LEU 60 Cb -0.12 -3.28 0.00 0.00 -0.43 0.00 0.00 46.19 42.36 2k9f s LEU 60 CO -0.06 -0.39 0.03 0.27 -0.29 0.00 0.00 176.35 175.92 2k9f s ILE 61 N 2.02 0.02 -0.34 6.68 -4.36 0.13 -4.83 121.20 120.51 2k9f s ILE 61 Ca 0.40 -0.14 -0.10 0.00 -0.26 0.00 0.00 60.65 60.55 2k9f s ILE 61 Cb -0.17 -0.10 0.01 0.00 1.25 0.00 0.00 42.46 43.45 2k9f s ILE 61 CO 0.14 -0.08 0.17 0.42 0.24 0.00 0.00 174.94 175.83 2k9f s THR 62 N -0.22 4.57 -0.02 8.37 -4.23 0.81 -0.68 115.64 124.25 2k9f s THR 62 Ca -0.03 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 2k9f s THR 62 Cb -0.02 -3.43 -0.03 0.00 1.34 0.00 0.00 72.50 70.37 2k9f s THR 62 CO -0.00 -0.06 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.26 2k9f s VAL 63 N 1.58 3.68 -0.00 2.29 1.01 0.06 0.26 120.40 129.29 2k9f s VAL 63 Ca 0.03 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2k9f s VAL 63 Cb -0.18 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 2k9f s VAL 63 CO 0.06 0.46 -0.03 0.00 0.00 0.00 0.00 175.10 175.59 2k9f s ALA 64 N -0.94 0.29 -0.49 5.51 0.00 -0.51 -3.39 121.76 122.23 2k9f s ALA 64 Ca 0.16 -0.17 -0.17 0.00 0.00 0.00 0.00 51.96 51.78 2k9f s ALA 64 Cb -0.11 -0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.02 2k9f s ALA 64 CO 0.06 0.06 0.47 -1.12 0.00 0.00 0.00 175.76 175.23 2k9f s SER 65 N -0.14 6.17 -0.01 0.00 0.01 -1.26 -0.04 113.70 118.42 2k9f s SER 65 Ca 0.01 -1.22 -0.30 0.00 1.31 0.00 0.00 55.95 55.74 2k9f s SER 65 Cb -0.02 -2.22 -0.07 0.00 0.21 0.00 0.00 66.02 63.93 2k9f s SER 65 CO -0.00 -0.74 1.67 -2.16 0.41 0.00 0.00 173.24 172.42 2k9f s PRO 66 N 1.95 4.19 0.00 12.44 0.04 -1.24 -1.98 135.00 150.40 2k9f s PRO 66 Ca 0.07 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2k9f s PRO 66 Cb -0.23 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2k9f s PRO 66 CO 0.08 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.72 2k9f n GLY 67 N 4.11 1.10 3.62 0.56 0.00 0.02 -4.37 105.19 110.24 2k9f n GLY 67 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2k9f n GLY 67 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k9f s PHE 68 N -2.76 2.85 -1.78 1.61 5.36 -0.84 -4.54 117.98 117.89 2k9f s PHE 68 Ca 0.00 -0.09 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 2k9f s PHE 68 Cb 0.00 -1.50 0.00 0.00 -0.34 0.00 0.00 43.02 41.18 2k9f s PHE 68 CO 0.00 0.44 0.00 1.28 -1.46 0.00 0.00 175.22 175.48 2k9f n LEU 69 N 0.80 -1.89 -0.89 6.12 4.77 -1.26 -1.39 117.00 123.26 2k9f n LEU 69 Ca -0.13 0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.76 2k9f n LEU 69 Cb 0.52 -2.88 -0.05 0.00 -2.33 0.00 0.00 43.42 38.68 2k9f n LEU 69 CO 0.35 -0.29 -0.11 1.57 -1.33 0.00 0.00 177.39 177.58 2k9f n HIS 70 N -3.88 0.00 -1.99 -1.77 -0.00 -1.26 -5.01 115.22 101.31 2k9f n HIS 70 Ca -0.24 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.65 2k9f n HIS 70 Cb 0.68 -2.22 0.20 0.00 -0.12 0.00 0.00 29.99 28.54 2k9f n HIS 70 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2k9f s GLU 71 N -2.93 0.41 0.37 1.57 0.41 -0.48 -5.00 118.70 113.04 2k9f s GLU 71 Ca 0.00 -0.59 -0.27 0.00 -0.41 0.00 0.00 54.97 53.70 2k9f s GLU 71 Cb 0.00 -1.86 -0.09 0.00 -1.78 0.00 0.00 34.13 30.40 2k9f s GLU 71 CO 0.00 -2.54 1.22 0.15 -0.49 0.00 0.00 175.26 173.60 2k9f s LYS 72 N -5.91 4.19 0.85 1.61 -0.14 -1.26 -3.73 119.74 115.35 2k9f s LYS 72 Ca 0.76 1.99 -0.12 0.00 -1.36 0.00 0.00 55.97 57.25 2k9f s LYS 72 Cb -0.02 -2.86 0.10 0.00 -1.68 0.00 0.00 37.83 33.37 2k9f s LYS 72 CO 0.53 -0.25 1.10 0.21 -0.76 0.00 0.00 175.35 176.18 2k9f s LYS 73 N -2.05 1.65 0.54 1.68 2.20 -1.26 -0.80 119.74 121.70 2k9f s LYS 73 Ca 0.53 0.65 -0.21 0.00 -0.36 0.00 0.00 55.97 56.58 2k9f s LYS 73 Cb -0.35 -1.87 -0.07 0.00 -1.51 0.00 0.00 37.83 34.04 2k9f s LYS 73 CO 0.44 -1.92 1.04 -3.47 -0.36 0.00 0.00 175.35 171.08 2k9f n ASP 74 N -3.64 1.25 0.00 1.43 2.03 -1.26 -1.65 116.55 114.70 2k9f n ASP 74 Ca 0.07 0.91 0.00 0.00 0.52 0.00 0.00 54.79 56.28 2k9f n ASP 74 Cb 0.56 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 2k9f n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k9f n GLY 75 N 1.16 1.91 0.20 0.27 0.00 -1.26 -4.55 105.19 102.93 2k9f n GLY 75 Ca 0.12 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 2k9f n GLY 75 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k9f h ASP 76 N 0.00 0.57 -0.45 1.61 1.82 -1.86 -0.68 116.42 117.43 2k9f h ASP 76 Ca 0.00 -0.10 -0.12 0.00 -0.39 0.00 0.00 57.03 56.42 2k9f h ASP 76 Cb 0.00 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 39.85 2k9f h ASP 76 CO 0.00 0.51 -0.16 0.15 -1.61 0.00 0.00 179.24 178.14 2k9f h PHE 77 N 0.59 1.05 -0.49 0.28 3.57 -1.55 -2.60 116.94 117.79 2k9f h PHE 77 Ca 0.16 -0.23 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 2k9f h PHE 77 Cb 0.07 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2k9f h PHE 77 CO -0.02 1.02 0.08 0.37 -2.23 0.00 0.00 178.31 177.53 2k9f h GLN 78 N 0.83 0.81 0.00 1.11 4.15 -1.74 -2.24 115.11 118.02 2k9f h GLN 78 Ca 0.12 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 2k9f h GLN 78 Cb 0.70 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.29 2k9f h GLN 78 CO 0.05 0.81 -0.13 0.87 -1.93 0.00 0.00 178.83 178.50 2k9f h LYS 79 N 0.69 0.00 -0.20 1.69 1.57 -1.06 -1.28 116.57 117.98 2k9f h LYS 79 Ca 0.15 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2k9f h LYS 79 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2k9f h LYS 79 CO 0.01 0.13 0.04 2.35 -0.57 0.00 0.00 179.45 181.41 2k9f h TRP 80 N 0.00 0.34 -0.54 -1.35 2.91 -1.01 -2.32 115.95 113.99 2k9f h TRP 80 Ca -0.00 -0.04 -0.09 0.00 1.13 0.00 0.00 58.89 59.89 2k9f h TRP 80 Cb 0.38 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.91 2k9f h TRP 80 CO 0.00 0.46 -0.01 -0.92 -1.03 0.00 0.00 178.44 176.94 2k9f h TYR 81 N 0.13 1.04 -0.37 2.65 3.20 -1.19 -2.66 116.97 119.77 2k9f h TYR 81 Ca 0.06 -0.18 0.08 0.00 3.14 0.00 0.00 58.73 61.83 2k9f h TYR 81 Cb 0.29 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2k9f h TYR 81 CO 0.02 0.95 0.25 0.00 -1.64 0.00 0.00 178.16 177.74 2k9f h ALA 82 N 0.95 2.16 -0.75 1.82 0.00 -1.13 -1.13 119.26 121.18 2k9f h ALA 82 Ca 0.15 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.58 2k9f h ALA 82 Cb 0.54 -0.02 -0.27 0.00 0.00 0.00 0.00 17.79 18.04 2k9f h ALA 82 CO 0.03 -0.25 0.17 0.41 0.00 0.00 0.00 179.25 179.61 2k9f n GLY 83 N -1.57 5.48 3.13 0.00 0.00 -0.89 -4.99 105.19 106.37 2k9f n GLY 83 Ca 0.05 -1.86 -0.27 0.00 0.00 0.00 0.00 46.02 43.94 2k9f n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k9f n LEU 84 N -0.97 0.00 -5.01 0.99 4.77 -0.43 -5.00 117.00 111.35 2k9f n LEU 84 Ca 0.49 -2.68 -0.18 0.00 -0.03 0.00 0.00 56.01 53.62 2k9f n LEU 84 Cb 1.01 0.25 0.02 0.00 -2.33 0.00 0.00 43.42 42.37 2k9f n LEU 84 CO 0.49 -0.41 0.18 0.21 -1.33 0.00 0.00 177.39 176.53 2k9f s ASN 85 N -3.45 5.54 -0.27 -1.43 3.84 -1.26 -4.85 114.94 113.05 2k9f s ASN 85 Ca 0.04 -0.51 -0.08 0.00 0.21 0.00 0.00 52.86 52.52 2k9f s ASN 85 Cb -0.00 -0.49 0.01 0.00 -0.55 0.00 0.00 41.25 40.21 2k9f s ASN 85 CO 0.03 -0.85 0.32 -1.22 -2.79 0.00 0.00 177.10 172.58 2k9f n TYR 86 N -1.90 -2.42 1.27 0.43 4.01 -1.26 -4.88 117.16 112.41 2k9f n TYR 86 Ca 0.09 1.00 0.09 0.00 -0.16 0.00 0.00 57.90 58.92 2k9f n TYR 86 Cb 0.60 -3.23 0.52 0.00 -0.31 0.00 0.00 39.34 36.91 2k9f n TYR 86 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2k9f n PRO 87 N -0.19 0.64 -0.18 -0.72 -0.04 -1.26 -2.27 135.00 130.98 2k9f n PRO 87 Ca 0.06 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.62 2k9f n PRO 87 Cb 0.24 -1.43 0.19 0.00 -0.04 0.00 0.00 33.50 32.46 2k9f n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k9f n LYS 88 N -0.93 2.32 -2.09 0.54 5.02 -1.26 -4.96 118.16 116.80 2k9f n LYS 88 Ca 0.13 -2.10 -0.43 0.00 -2.02 0.00 0.00 58.31 53.89 2k9f n LYS 88 Cb 0.06 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 2k9f n LYS 88 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k9f s LEU 89 N -1.20 4.04 -1.40 -0.35 1.43 -0.96 -4.90 118.68 115.34 2k9f s LEU 89 Ca 0.32 1.83 -0.14 0.00 -1.03 0.00 0.00 54.13 55.10 2k9f s LEU 89 Cb 0.18 -3.53 0.01 0.00 0.03 0.00 0.00 46.19 42.88 2k9f s LEU 89 CO 0.25 -1.13 2.26 -0.81 0.23 0.00 0.00 176.35 177.15 2k9f n PRO 90 N 7.43 2.78 -3.05 1.29 -0.04 -1.26 -4.94 135.00 137.21 2k9f n PRO 90 Ca 0.18 -2.47 -0.40 0.00 -0.04 0.00 0.00 63.50 60.76 2k9f n PRO 90 Cb 0.44 -3.20 -0.05 0.00 -0.04 0.00 0.00 33.50 30.65 2k9f n PRO 90 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2k9f s VAL 91 N 3.29 4.99 -0.02 0.52 1.01 -1.25 -0.13 120.40 128.81 2k9f s VAL 91 Ca 0.50 1.34 0.03 0.00 0.00 0.00 0.00 61.98 63.86 2k9f s VAL 91 Cb 0.14 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2k9f s VAL 91 CO -0.07 0.12 -0.10 -0.69 0.00 0.00 0.00 175.10 174.37 2k9f s VAL 92 N 1.75 3.45 -0.50 2.92 1.01 0.14 0.27 120.40 129.45 2k9f s VAL 92 Ca 0.33 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 2k9f s VAL 92 Cb -0.16 -2.45 0.08 0.00 0.00 0.00 0.00 36.38 33.85 2k9f s VAL 92 CO 0.12 0.47 0.48 -0.89 0.00 0.00 0.00 175.10 175.29 2k9f s THR 93 N -0.89 5.12 -1.25 3.92 2.01 0.37 -1.42 115.64 123.50 2k9f s THR 93 Ca 0.15 -0.98 -0.15 0.00 0.31 0.00 0.00 61.69 61.01 2k9f s THR 93 Cb -0.11 -4.22 0.13 0.00 0.01 0.00 0.00 72.50 68.32 2k9f s THR 93 CO 0.04 -0.70 1.56 -0.67 -0.69 0.00 0.00 174.62 174.17 2k9f n ASP 94 N 5.51 5.11 -4.60 3.53 2.03 0.94 -4.23 116.55 124.83 2k9f n ASP 94 Ca -0.11 -2.96 -0.43 0.00 0.52 0.00 0.00 54.79 51.81 2k9f n ASP 94 Cb 0.44 -1.64 -0.03 0.00 -0.72 0.00 0.00 41.12 39.17 2k9f n ASP 94 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2k9f s ASN 95 N 3.37 5.79 0.00 1.67 3.84 -1.26 -2.15 114.94 126.20 2k9f s ASN 95 Ca 0.47 1.51 0.00 0.00 0.21 0.00 0.00 52.86 55.05 2k9f s ASN 95 Cb 0.00 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.18 2k9f s ASN 95 CO 0.03 -1.75 0.00 0.61 -2.79 0.00 0.00 177.10 173.20 2k9f n GLY 96 N 5.49 2.91 0.58 1.21 0.00 -1.26 -4.49 105.19 109.63 2k9f n GLY 96 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2k9f n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k9f n GLY 97 N -0.80 0.54 0.11 -0.02 0.00 -0.92 -4.89 105.19 99.21 2k9f n GLY 97 Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 2k9f n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k9f h THR 98 N 0.00 0.92 0.19 2.61 2.02 -1.79 0.12 112.91 116.99 2k9f h THR 98 Ca 0.00 -0.27 -0.32 0.00 0.77 0.00 0.00 66.41 66.59 2k9f h THR 98 Cb 0.54 1.09 0.02 0.00 -1.74 0.00 0.00 68.15 68.06 2k9f h THR 98 CO 0.00 0.06 -1.50 0.40 0.37 0.00 0.00 175.52 174.85 2k9f h ILE 99 N -0.32 1.23 -0.62 3.11 1.08 -1.95 -2.63 117.51 117.41 2k9f h ILE 99 Ca -0.02 -2.75 0.05 0.00 -0.39 0.00 0.00 64.86 61.75 2k9f h ILE 99 Cb 0.25 2.92 -0.05 0.00 -3.07 0.00 0.00 36.82 36.87 2k9f h ILE 99 CO 0.03 0.84 0.34 0.00 -0.69 0.00 0.00 178.15 178.67 2k9f h ALA 100 N 0.29 0.82 0.00 1.87 0.00 -1.95 -1.58 119.26 118.71 2k9f h ALA 100 Ca -0.25 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 2k9f h ALA 100 Cb 2.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.74 2k9f h ALA 100 CO 0.22 0.02 -0.87 0.37 0.00 0.00 0.00 179.25 178.99 2k9f h GLN 101 N 0.64 0.00 -0.24 0.00 4.15 -1.08 0.15 115.11 118.74 2k9f h GLN 101 Ca 0.27 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 2k9f h GLN 101 Cb 0.15 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2k9f h GLN 101 CO -0.17 0.80 0.10 1.03 -1.93 0.00 0.00 178.83 178.67 2k9f h SER 102 N 0.00 0.33 -0.01 -0.69 0.87 -1.01 -3.15 113.55 109.89 2k9f h SER 102 Ca -0.02 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2k9f h SER 102 Cb 1.65 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 2k9f h SER 102 CO 0.11 0.39 -0.54 0.18 -0.53 0.00 0.00 176.83 176.44 2k9f n LEU 103 N -4.80 1.75 -2.60 2.23 4.77 -0.65 -5.02 117.00 112.68 2k9f n LEU 103 Ca -0.03 -0.71 -0.00 0.00 -0.03 0.00 0.00 56.01 55.23 2k9f n LEU 103 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2k9f n LEU 103 CO 0.35 0.34 0.23 -3.20 -1.33 0.00 0.00 177.39 173.78 2k9f n ASN 104 N -0.31 -6.14 -4.69 -1.43 5.15 -0.14 -4.99 115.26 102.71 2k9f n ASN 104 Ca 0.08 -0.01 -0.40 0.00 -0.60 0.00 0.00 54.58 53.64 2k9f n ASN 104 Cb 0.41 -4.07 -0.05 0.00 -0.53 0.00 0.00 39.78 35.54 2k9f n ASN 104 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2k9f s ILE 105 N -2.93 4.99 -0.02 -1.44 1.09 0.34 -4.92 121.20 118.32 2k9f s ILE 105 Ca 0.01 1.45 0.10 0.00 -1.10 0.00 0.00 60.65 61.11 2k9f s ILE 105 Cb -0.00 -4.05 0.18 0.00 -1.06 0.00 0.00 42.46 37.52 2k9f s ILE 105 CO 0.53 0.15 1.07 -1.54 -0.10 0.00 0.00 174.94 175.06 2k9f n SER 106 N 4.54 0.58 -3.57 3.58 3.41 -1.26 -4.93 113.62 115.97 2k9f n SER 106 Ca 0.01 -2.18 -0.06 0.00 -0.26 0.00 0.00 58.87 56.37 2k9f n SER 106 Cb 0.50 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 2k9f n SER 106 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2k9f s VAL 107 N -0.39 0.00 0.12 -3.33 0.11 -1.26 -5.15 120.40 110.50 2k9f s VAL 107 Ca 0.15 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.29 2k9f s VAL 107 Cb 0.16 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 2k9f s VAL 107 CO -0.05 0.00 -0.22 -0.31 -3.33 0.00 0.00 175.10 171.18 2k9f s TYR 108 N -2.25 1.95 -0.06 1.54 2.02 -1.26 -3.75 117.35 115.54 2k9f s TYR 108 Ca 0.06 -0.41 -0.20 0.00 -0.37 0.00 0.00 57.07 56.16 2k9f s TYR 108 Cb -0.01 -1.05 -0.05 0.00 -0.40 0.00 0.00 41.96 40.45 2k9f s TYR 108 CO -0.05 0.26 0.55 -1.25 -1.57 0.00 0.00 175.55 173.49 2k9f s PRO 109 N -2.03 4.32 -0.25 -1.71 0.04 -1.25 -4.71 135.00 129.41 2k9f s PRO 109 Ca 0.10 0.61 -0.17 0.00 0.04 0.00 0.00 61.00 61.58 2k9f s PRO 109 Cb -0.10 -3.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.02 2k9f s PRO 109 CO 0.05 0.25 0.45 -1.12 0.04 0.00 0.00 177.00 176.67 2k9f s SER 110 N 0.26 6.40 -0.38 6.66 0.01 -1.15 -3.77 113.70 121.72 2k9f s SER 110 Ca 0.29 0.47 -0.09 0.00 1.31 0.00 0.00 55.95 57.93 2k9f s SER 110 Cb -0.17 -2.25 0.05 0.00 0.21 0.00 0.00 66.02 63.86 2k9f s SER 110 CO 0.14 -0.21 0.19 0.26 0.41 0.00 0.00 173.24 174.04 2k9f s TRP 111 N 1.98 3.28 -0.40 2.43 0.52 0.28 -0.81 118.94 126.21 2k9f s TRP 111 Ca 0.19 -1.27 -0.14 0.00 0.02 0.00 0.00 56.10 54.90 2k9f s TRP 111 Cb -0.15 -2.55 0.02 0.00 -1.15 0.00 0.00 33.47 29.64 2k9f s TRP 111 CO 0.09 -0.73 0.28 0.00 0.02 0.00 0.00 176.95 176.60 2k9f s ALA 112 N 1.47 3.43 -0.40 0.98 0.00 0.13 -0.76 121.76 126.60 2k9f s ALA 112 Ca 0.01 -1.72 -0.21 0.00 0.00 0.00 0.00 51.96 50.05 2k9f s ALA 112 Cb -0.20 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.12 2k9f s ALA 112 CO 0.04 -1.43 0.66 -1.17 0.00 0.00 0.00 175.76 173.86 2k9f s LEU 113 N 1.65 4.35 -0.17 0.00 2.96 0.60 -1.55 118.68 126.53 2k9f s LEU 113 Ca 0.04 -0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 2k9f s LEU 113 Cb -0.19 -2.79 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 2k9f s LEU 113 CO 0.09 -0.72 0.11 -0.63 -1.32 0.00 0.00 176.35 173.88 2k9f s ILE 114 N 2.85 5.27 1.16 6.68 1.09 0.53 0.17 121.20 138.95 2k9f s ILE 114 Ca 0.25 0.13 -0.19 0.00 -1.10 0.00 0.00 60.65 59.74 2k9f s ILE 114 Cb -0.14 -3.36 0.28 0.00 -1.06 0.00 0.00 42.46 38.18 2k9f s ILE 114 CO 0.18 0.50 1.10 0.61 -0.10 0.00 0.00 174.94 177.22 2k9f n GLY 115 N 3.05 -2.57 0.00 6.18 0.00 0.82 -1.79 105.19 110.88 2k9f n GLY 115 Ca -0.17 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.44 2k9f n GLY 115 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k9f n LYS 116 N -4.59 0.40 0.01 1.61 2.85 -1.26 -2.38 118.16 114.80 2k9f n LYS 116 Ca 0.15 0.05 0.11 0.00 -1.05 0.00 0.00 58.31 57.57 2k9f n LYS 116 Cb 0.57 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.45 2k9f n LYS 116 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2k9f n ASP 117 N -1.24 0.69 0.00 -5.58 8.00 -1.26 -4.42 116.55 112.73 2k9f n ASP 117 Ca 0.12 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.12 2k9f n ASP 117 Cb 0.17 0.86 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 2k9f n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k9f n GLY 118 N 1.44 0.75 3.77 0.44 0.00 -1.00 -5.09 105.19 105.49 2k9f n GLY 118 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2k9f n GLY 118 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k9f s ASP 119 N -2.49 5.39 -0.14 1.61 -4.77 -1.26 -4.87 116.67 110.14 2k9f s ASP 119 Ca 0.00 -0.13 -0.29 0.00 -3.30 0.00 0.00 52.55 48.83 2k9f s ASP 119 Cb 0.00 -1.38 -0.03 0.00 -1.09 0.00 0.00 42.92 40.42 2k9f s ASP 119 CO 0.00 0.11 1.49 -0.69 0.70 0.00 0.00 175.17 176.78 2k9f s VAL 120 N -1.59 3.88 -0.19 2.11 1.01 -1.26 -0.13 120.40 124.22 2k9f s VAL 120 Ca 0.29 1.05 -0.20 0.00 0.00 0.00 0.00 61.98 63.12 2k9f s VAL 120 Cb -0.11 -3.74 -0.20 0.00 0.00 0.00 0.00 36.38 32.33 2k9f s VAL 120 CO 0.22 -0.16 0.25 -0.61 0.00 0.00 0.00 175.10 174.80 2k9f h GLN 121 N 9.30 0.04 -3.09 2.72 5.75 -0.60 -3.46 115.11 125.76 2k9f h GLN 121 Ca -0.33 -0.06 -0.15 0.00 -0.15 0.00 0.00 58.65 57.96 2k9f h GLN 121 Cb 1.14 0.02 -0.24 0.00 1.07 0.00 0.00 27.48 29.47 2k9f h GLN 121 CO 0.97 1.03 -0.38 0.50 -2.65 0.00 0.00 178.83 178.30 2k9f s ARG 122 N -2.38 0.37 -0.15 1.69 6.06 -0.99 -5.02 118.95 118.52 2k9f s ARG 122 Ca -0.28 0.27 0.01 0.00 -2.50 0.00 0.00 55.73 53.24 2k9f s ARG 122 Cb 0.06 0.18 0.02 0.00 0.06 0.00 0.00 34.95 35.26 2k9f s ARG 122 CO 0.62 -0.06 -0.18 -1.50 -2.50 0.00 0.00 175.30 171.68 2k9f s ILE 123 N -0.12 1.86 -0.17 4.11 1.10 -1.26 -0.29 121.20 126.43 2k9f s ILE 123 Ca -0.03 -0.83 -0.02 0.00 -0.51 0.00 0.00 60.65 59.27 2k9f s ILE 123 Cb -0.03 -1.69 -0.01 0.00 0.15 0.00 0.00 42.46 40.89 2k9f s ILE 123 CO 0.01 0.51 -0.10 -0.69 -2.11 0.00 0.00 174.94 172.56 2k9f s VAL 124 N 1.21 3.18 -0.23 4.00 1.01 0.06 -5.00 120.40 124.65 2k9f s VAL 124 Ca 0.01 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.41 2k9f s VAL 124 Cb -0.14 -2.38 0.06 0.00 0.00 0.00 0.00 36.38 33.92 2k9f s VAL 124 CO -0.09 0.49 -0.05 -0.54 0.00 0.00 0.00 175.10 174.91 2k9f s LYS 125 N 0.80 1.59 0.00 2.72 1.02 -1.26 -0.56 119.74 124.06 2k9f s LYS 125 Ca -0.03 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 55.03 2k9f s LYS 125 Cb -0.15 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 2k9f s LYS 125 CO 0.01 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.27 2k9f n GLY 126 N 4.70 -1.01 3.64 -3.33 0.00 -1.25 -5.07 105.19 102.88 2k9f n GLY 126 Ca -0.12 0.36 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 2k9f n GLY 126 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k9f s SER 127 N -4.00 -0.44 0.24 1.61 0.15 -1.26 -3.80 113.70 106.20 2k9f s SER 127 Ca 0.00 0.71 0.10 0.00 0.70 0.00 0.00 55.95 57.47 2k9f s SER 127 Cb 0.00 1.13 -0.04 0.00 -1.71 0.00 0.00 66.02 65.39 2k9f s SER 127 CO 0.00 -0.11 -0.11 0.27 1.20 0.00 0.00 173.24 174.49 2k9f s ILE 128 N 1.17 3.01 0.44 6.45 -4.36 -1.26 -5.11 121.20 121.53 2k9f s ILE 128 Ca -0.07 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.39 2k9f s ILE 128 Cb -0.04 -2.56 -0.01 0.00 1.25 0.00 0.00 42.46 41.10 2k9f s ILE 128 CO -0.14 -0.29 0.36 0.54 0.24 0.00 0.00 174.94 175.66 2k9f s ASN 129 N -3.32 4.89 0.22 4.36 2.20 -1.26 -5.04 114.94 116.99 2k9f s ASN 129 Ca 0.28 -0.88 -0.08 0.00 -0.94 0.00 0.00 52.86 51.25 2k9f s ASN 129 Cb -0.07 -0.39 0.17 0.00 -2.00 0.00 0.00 41.25 38.96 2k9f s ASN 129 CO 0.16 -0.72 1.80 -0.08 -2.94 0.00 0.00 177.10 175.33 2k9f h GLU 130 N 1.03 1.18 -0.78 3.55 4.81 -2.01 -2.60 114.58 119.76 2k9f h GLU 130 Ca -0.41 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 58.68 2k9f h GLU 130 Cb 1.27 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.39 2k9f h GLU 130 CO 0.59 0.92 0.50 0.00 -0.73 0.00 0.00 179.01 180.29 2k9f h ALA 131 N 1.20 1.03 -0.73 2.92 0.00 -1.98 -0.72 119.26 120.98 2k9f h ALA 131 Ca 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2k9f h ALA 131 Cb 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2k9f h ALA 131 CO -0.03 0.30 0.38 1.96 0.00 0.00 0.00 179.25 181.86 2k9f h GLN 132 N 0.97 1.03 -0.76 0.00 4.20 -1.83 0.78 115.11 119.50 2k9f h GLN 132 Ca 0.31 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.84 2k9f h GLN 132 Cb 0.02 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 2k9f h GLN 132 CO -0.11 0.78 0.28 0.00 -0.67 0.00 0.00 178.83 179.11 2k9f h ALA 133 N 1.19 0.99 0.00 3.87 0.00 -1.00 0.20 119.26 124.51 2k9f h ALA 133 Ca 0.25 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2k9f h ALA 133 Cb 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2k9f h ALA 133 CO -0.04 0.64 -0.37 -0.07 0.00 0.00 0.00 179.25 179.41 2k9f h LEU 134 N 1.11 0.00 0.10 0.00 3.38 -0.69 -2.96 115.31 116.26 2k9f h LEU 134 Ca 0.25 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.94 2k9f h LEU 134 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2k9f h LEU 134 CO -0.02 0.37 -1.33 0.00 0.09 0.00 0.00 178.44 177.56 2k9f h ALA 135 N 1.63 0.22 -0.33 1.53 0.00 -0.22 -3.31 119.26 118.78 2k9f h ALA 135 Ca -0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 54.91 53.88 2k9f h ALA 135 Cb 0.86 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2k9f h ALA 135 CO 0.05 1.09 0.06 1.25 0.00 0.00 0.00 179.25 181.70 2k9f h LEU 136 N 0.06 0.44 -0.99 0.00 5.85 -0.48 0.47 115.31 120.66 2k9f h LEU 136 Ca -0.16 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2k9f h LEU 136 Cb 1.96 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.88 2k9f h LEU 136 CO 0.17 0.47 0.00 2.30 -0.34 0.00 0.00 178.44 181.04 2k9f n ILE 137 N -4.34 0.31 0.00 4.05 -5.35 -1.13 -3.56 119.36 109.34 2k9f n ILE 137 Ca 0.02 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2k9f n ILE 137 Cb 0.19 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 37.85 2k9f n ILE 137 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2k9f n ARG 138 N -0.01 0.00 -3.56 6.28 0.63 -0.48 -5.02 116.66 114.50 2k9f n ARG 138 Ca 0.04 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.68 2k9f n ARG 138 Cb 0.27 -0.24 -0.14 0.00 0.45 0.00 0.00 32.46 32.80 2k9f n ARG 138 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2k9f s ASP 139 N -4.72 3.50 0.00 6.15 2.15 0.15 -4.99 116.67 118.91 2k9f s ASP 139 Ca 0.00 -1.60 0.13 0.00 0.43 0.00 0.00 52.55 51.51 2k9f s ASP 139 Cb 0.00 -0.47 0.78 0.00 -0.30 0.00 0.00 42.92 42.92 2k9f s ASP 139 CO 0.00 -0.40 1.21 -0.81 -0.17 0.00 0.00 175.17 175.00 2k9f n PRO 140 N 4.85 0.55 0.00 4.34 -0.04 -1.23 -2.06 135.00 141.40 2k9f n PRO 140 Ca -0.01 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.57 2k9f n PRO 140 Cb 0.41 -1.37 0.17 0.00 -0.04 0.00 0.00 33.50 32.66 2k9f n PRO 140 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2k9f n ASN 141 N -0.87 1.49 -4.73 3.54 3.02 -1.26 -4.91 115.26 111.54 2k9f n ASN 141 Ca 0.10 -1.17 -0.41 0.00 -0.03 0.00 0.00 54.58 53.06 2k9f n ASN 141 Cb 0.04 0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.52 2k9f n ASN 141 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k9f s ALA 142 N -2.53 3.25 0.15 5.41 0.00 -0.87 -5.06 121.76 122.11 2k9f s ALA 142 Ca 0.20 0.57 0.08 0.00 0.00 0.00 0.00 51.96 52.81 2k9f s ALA 142 Cb 0.18 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 2k9f s ALA 142 CO 0.57 -0.02 -0.17 0.34 0.00 0.00 0.00 175.76 176.47 2k9f s ASP 143 N 0.00 2.52 0.00 0.00 -1.08 -1.26 -4.95 116.67 111.90 2k9f s ASP 143 Ca 0.47 -0.85 0.00 0.00 -0.52 0.00 0.00 52.55 51.65 2k9f s ASP 143 Cb -0.23 -0.14 0.00 0.00 -1.46 0.00 0.00 42.92 41.09 2k9f s ASP 143 CO 0.30 -0.06 0.00 0.00 0.52 0.00 0.00 175.17 175.92