#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 0.77 -0.32 1.12 0.24 -1.26 -4.93 118.33 113.95 2k9f n VAL 2 Ca 0.00 -4.70 -0.04 0.00 -2.04 0.00 0.00 64.34 57.56 2k9f n VAL 2 Cb 0.00 -1.48 0.08 0.00 -1.47 0.00 0.00 33.84 30.97 2k9f n VAL 2 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 2k9f h PRO 3 N 3.63 1.22 -0.82 7.34 0.11 -1.99 -2.36 132.00 139.13 2k9f h PRO 3 Ca 0.12 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 2k9f h PRO 3 Cb 0.79 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.63 2k9f h PRO 3 CO 0.62 0.91 0.51 1.12 -0.21 0.00 0.00 178.00 180.94 2k9f h HIS 4 N 1.21 1.06 -0.15 0.65 2.07 -1.97 -1.14 115.15 116.88 2k9f h HIS 4 Ca 0.30 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.80 2k9f h HIS 4 Cb 0.06 -0.35 -0.00 0.00 2.57 0.00 0.00 27.41 29.69 2k9f h HIS 4 CO 0.01 0.69 -0.04 1.15 -3.07 0.00 0.00 177.93 176.67 2k9f h THR 5 N 1.12 1.29 -0.51 6.12 2.02 -1.86 -1.48 112.91 119.61 2k9f h THR 5 Ca 0.29 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 2k9f h THR 5 Cb -0.07 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 2k9f h THR 5 CO -0.06 0.29 0.31 0.25 0.37 0.00 0.00 175.52 176.68 2k9f h LEU 6 N -0.01 0.61 -0.22 2.58 5.85 -1.12 -0.02 115.31 122.97 2k9f h LEU 6 Ca 0.04 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2k9f h LEU 6 Cb 0.47 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2k9f h LEU 6 CO 0.02 0.47 -0.10 -1.20 -0.34 0.00 0.00 178.44 177.28 2k9f n SER 7 N -4.43 0.44 0.09 1.25 7.64 -0.46 -3.25 113.62 114.89 2k9f n SER 7 Ca 0.05 -0.55 0.12 0.00 1.01 0.00 0.00 58.87 59.49 2k9f n SER 7 Cb 0.07 -0.09 0.03 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.97 0.53 -2.06 0.44 -1.04 -0.04 -4.63 114.28 106.50 2k9f n THR 8 Ca 0.15 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.05 61.26 2k9f n THR 8 Cb 0.27 -0.25 -0.03 0.00 -1.82 0.00 0.00 70.33 68.50 2k9f n THR 8 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2k9f s LEU 9 N -5.02 4.34 0.12 -4.42 2.01 -1.10 -4.93 118.68 109.68 2k9f s LEU 9 Ca 0.01 2.29 0.05 0.00 0.01 0.00 0.00 54.13 56.49 2k9f s LEU 9 Cb 0.11 -3.56 -0.04 0.00 0.01 0.00 0.00 46.19 42.71 2k9f s LEU 9 CO 0.78 -0.82 0.05 -0.54 1.01 0.00 0.00 176.35 176.82 2k9f s LYS 10 N 2.72 2.67 0.80 1.70 3.01 -1.26 -0.61 119.74 128.77 2k9f s LYS 10 Ca 0.69 -0.86 -0.09 0.00 -1.01 0.00 0.00 55.97 54.71 2k9f s LYS 10 Cb -0.35 -2.57 0.12 0.00 -1.01 0.00 0.00 37.83 34.02 2k9f s LYS 10 CO 0.29 0.52 1.12 0.95 0.51 0.00 0.00 175.35 178.74 2k9f s THR 11 N -1.50 2.13 -1.21 2.17 -4.23 0.11 -0.76 115.64 112.36 2k9f s THR 11 Ca 0.28 -0.24 0.12 0.00 -1.18 0.00 0.00 61.69 60.67 2k9f s THR 11 Cb -0.11 -2.90 0.16 0.00 1.34 0.00 0.00 72.50 70.99 2k9f s THR 11 CO 0.20 0.00 1.34 0.00 -0.54 0.00 0.00 174.62 175.62 2k9f n ALA 12 N -3.20 1.63 1.01 3.99 0.00 0.30 -1.02 120.51 123.23 2k9f n ALA 12 Ca 0.12 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.63 2k9f n ALA 12 Cb 0.60 -1.20 0.27 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.39 2.53 -0.24 0.00 2.03 -1.26 -4.92 116.55 113.29 2k9f n ASP 13 Ca 0.04 -1.83 -0.03 0.00 0.52 0.00 0.00 54.79 53.49 2k9f n ASP 13 Cb 0.12 -0.07 -0.01 0.00 -0.72 0.00 0.00 41.12 40.44 2k9f n ASP 13 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2k9f n ASN 14 N 0.94 -3.61 -4.71 1.67 5.15 -0.19 -5.03 115.26 109.49 2k9f n ASN 14 Ca 0.17 0.08 -0.35 0.00 -0.60 0.00 0.00 54.58 53.87 2k9f n ASN 14 Cb 0.50 -1.39 -0.09 0.00 -0.53 0.00 0.00 39.78 38.28 2k9f n ASN 14 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2k9f s ARG 15 N -1.72 3.54 0.50 1.20 0.52 -1.26 -4.81 118.95 116.92 2k9f s ARG 15 Ca 0.00 -0.31 -0.23 0.00 -0.52 0.00 0.00 55.73 54.67 2k9f s ARG 15 Cb 0.00 -3.07 -0.06 0.00 0.52 0.00 0.00 34.95 32.33 2k9f s ARG 15 CO 0.00 0.53 1.34 -1.25 0.02 0.00 0.00 175.30 175.93 2k9f s PRO 16 N -0.35 3.43 0.00 3.54 0.04 -1.26 0.08 135.00 140.48 2k9f s PRO 16 Ca 0.09 2.19 0.08 0.00 0.04 0.00 0.00 61.00 63.40 2k9f s PRO 16 Cb -0.12 -2.41 0.34 0.00 0.04 0.00 0.00 34.50 32.35 2k9f s PRO 16 CO 0.02 -0.94 1.24 0.00 0.04 0.00 0.00 177.00 177.36 2k9f n ALA 17 N -0.65 1.37 0.34 8.56 0.00 0.22 -2.66 120.51 127.68 2k9f n ALA 17 Ca 0.08 -0.03 0.21 0.00 0.00 0.00 0.00 53.44 53.71 2k9f n ALA 17 Cb 0.45 -1.13 1.14 0.00 0.00 0.00 0.00 19.45 19.91 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 0.50 0.00 0.02 -1.84 -0.79 113.55 111.44 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 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 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 -1.89 -1.90 116.25 113.22 2k9f h VAL 19 Ca 0.00 -0.19 -0.02 0.00 -1.23 0.00 0.00 66.70 65.27 2k9f h VAL 19 Cb 0.13 0.91 -0.04 0.00 -2.13 0.00 0.00 31.29 30.16 2k9f h VAL 19 CO 0.00 0.00 -0.31 -1.22 -1.23 0.00 0.00 177.57 174.81 2k9f n TYR 20 N -2.46 0.00 -2.38 5.19 4.01 -0.31 -4.70 117.16 116.51 2k9f n TYR 20 Ca 0.00 -0.77 -0.00 0.00 -0.16 0.00 0.00 57.90 56.97 2k9f n TYR 20 Cb 0.17 -0.14 0.06 0.00 -0.31 0.00 0.00 39.34 39.12 2k9f n TYR 20 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2k9f n LEU 21 N -0.83 1.95 -4.54 7.72 4.77 -0.72 -4.80 117.00 120.55 2k9f n LEU 21 Ca 0.11 -2.97 -0.26 0.00 -0.03 0.00 0.00 56.01 52.86 2k9f n LEU 21 Cb 0.71 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.72 2k9f n LEU 21 CO -0.01 1.01 -0.22 -0.75 -1.33 0.00 0.00 177.39 176.09 2k9f s LYS 22 N -2.11 1.91 -0.97 3.23 2.47 -1.22 -4.79 119.74 118.25 2k9f s LYS 22 Ca 0.35 -2.15 0.00 0.00 -1.56 0.00 0.00 55.97 52.60 2k9f s LYS 22 Cb 0.37 -0.84 0.00 0.00 -1.46 0.00 0.00 37.83 35.90 2k9f s LYS 22 CO -0.09 -0.38 0.00 1.63 0.16 0.00 0.00 175.35 176.67 2k9f n LYS 23 N -0.92 -0.95 -3.94 4.03 5.02 -1.26 -3.30 118.16 116.84 2k9f n LYS 23 Ca -0.07 0.77 -0.29 0.00 -2.02 0.00 0.00 58.31 56.70 2k9f n LYS 23 Cb 0.66 -4.76 0.01 0.00 -0.02 0.00 0.00 35.03 30.92 2k9f n LYS 23 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k9f n ASP 24 N -0.16 -3.21 -4.81 4.39 8.00 -1.26 -4.97 116.55 114.52 2k9f n ASP 24 Ca -0.09 -0.86 -0.33 0.00 0.71 0.00 0.00 54.79 54.22 2k9f n ASP 24 Cb 0.38 -3.60 -0.06 0.00 -0.02 0.00 0.00 41.12 37.82 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 -6.55 3.16 0.21 -1.24 1.02 -1.21 -4.76 119.74 110.37 2k9f s LYS 25 Ca 0.46 -0.44 -0.32 0.00 0.02 0.00 0.00 55.97 55.69 2k9f s LYS 25 Cb -0.24 -2.92 -0.13 0.00 -0.52 0.00 0.00 37.83 34.02 2k9f s LYS 25 CO 0.85 0.66 1.59 -0.35 -0.92 0.00 0.00 175.35 177.18 2k9f n PRO 26 N 1.14 2.39 -3.81 -1.68 -0.04 -1.26 -4.72 135.00 127.02 2k9f n PRO 26 Ca -0.13 0.86 -0.36 0.00 -0.04 0.00 0.00 63.50 63.83 2k9f n PRO 26 Cb 0.53 -2.63 -0.07 0.00 -0.04 0.00 0.00 33.50 31.29 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 0.63 5.46 -0.37 0.52 2.01 -0.56 -0.41 115.64 122.91 2k9f s THR 27 Ca 0.73 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.97 2k9f s THR 27 Cb -0.59 -3.44 0.10 0.00 0.01 0.00 0.00 72.50 68.58 2k9f s THR 27 CO 0.41 0.55 0.11 -0.22 -0.69 0.00 0.00 174.62 174.78 2k9f s LEU 28 N -0.50 4.92 -0.22 4.42 2.96 0.11 0.00 118.68 130.37 2k9f s LEU 28 Ca 0.13 -2.15 -0.18 0.00 -0.22 0.00 0.00 54.13 51.70 2k9f s LEU 28 Cb -0.12 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 2k9f s LEU 28 CO 0.02 -0.43 0.52 -0.63 -1.32 0.00 0.00 176.35 174.51 2k9f s ILE 29 N 0.93 5.09 -0.18 6.68 1.01 -0.14 -0.64 121.20 133.95 2k9f s ILE 29 Ca 0.10 0.93 -0.00 0.00 0.00 0.00 0.00 60.65 61.69 2k9f s ILE 29 Cb -0.20 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.44 2k9f s ILE 29 CO -0.07 0.15 -0.15 -0.75 0.00 0.00 0.00 174.94 174.12 2k9f s LYS 30 N 1.85 3.14 -0.11 2.79 2.36 0.38 -0.04 119.74 130.11 2k9f s LYS 30 Ca 0.23 -0.76 -0.13 0.00 -2.55 0.00 0.00 55.97 52.76 2k9f s LYS 30 Cb -0.15 -2.67 -0.05 0.00 -1.05 0.00 0.00 37.83 33.91 2k9f s LYS 30 CO 0.09 -0.13 0.30 -0.06 1.55 0.00 0.00 175.35 177.10 2k9f s PHE 31 N 1.17 3.56 0.35 4.03 0.40 0.03 -0.65 117.98 126.88 2k9f s PHE 31 Ca 0.02 0.70 0.05 0.00 -0.60 0.00 0.00 56.93 57.10 2k9f s PHE 31 Cb -0.14 -2.26 -0.02 0.00 0.51 0.00 0.00 43.02 41.10 2k9f s PHE 31 CO -0.07 0.43 0.20 -2.67 0.70 0.00 0.00 175.22 173.82 2k9f n TRP 32 N 2.83 -0.28 -4.10 0.36 4.27 -1.21 -2.84 117.44 116.47 2k9f n TRP 32 Ca -0.14 -2.56 -0.15 0.00 -3.89 0.00 0.00 57.50 50.76 2k9f n TRP 32 Cb 0.53 0.12 -0.12 0.00 -1.36 0.00 0.00 31.31 30.48 2k9f n TRP 32 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2k9f s ALA 33 N -3.16 0.79 -0.05 -1.67 0.00 -1.26 -4.80 121.76 111.61 2k9f s ALA 33 Ca 0.28 -0.85 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 2k9f s ALA 33 Cb 0.01 -0.01 -0.31 0.00 0.00 0.00 0.00 23.12 22.82 2k9f s ALA 33 CO 0.20 0.05 0.68 0.77 0.00 0.00 0.00 175.76 177.45 2k9f h SER 34 N 4.41 0.59 -0.88 0.00 0.02 -2.01 -3.39 113.55 112.29 2k9f h SER 34 Ca -0.38 -0.92 -0.73 0.00 -0.84 0.00 0.00 61.79 58.92 2k9f h SER 34 Cb 1.20 -0.19 -0.10 0.00 0.14 0.00 0.00 62.40 63.45 2k9f h SER 34 CO 0.41 1.74 2.60 0.79 -1.14 0.00 0.00 176.83 181.22 2k9f n TRP 35 N -3.68 2.85 -3.64 3.45 8.01 -1.26 -4.84 117.44 118.33 2k9f n TRP 35 Ca -0.24 -2.87 -0.06 0.00 -1.31 0.00 0.00 57.50 53.02 2k9f n TRP 35 Cb 1.04 -2.09 -0.07 0.00 -2.01 0.00 0.00 31.31 28.18 2k9f n TRP 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2k9f h PRO 37 N 6.95 0.74 -0.53 0.00 0.13 -1.94 -2.73 132.00 134.62 2k9f h PRO 37 Ca -0.29 -0.46 -0.04 0.00 -0.87 0.00 0.00 66.00 64.34 2k9f h PRO 37 Cb 1.22 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2k9f h PRO 37 CO 0.16 1.08 0.19 -0.07 -0.23 0.00 0.00 178.00 179.14 2k9f h LEU 38 N 0.47 0.75 -1.44 1.56 3.38 -1.98 -2.20 115.31 115.85 2k9f h LEU 38 Ca 0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2k9f h LEU 38 Cb 1.04 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2k9f h LEU 38 CO 0.10 0.73 -0.14 0.00 0.09 0.00 0.00 178.44 179.22 2k9f h LEU 40 N 0.00 1.00 -0.50 0.00 5.85 -1.07 -2.29 115.31 118.31 2k9f h LEU 40 Ca -0.00 -0.33 -0.17 0.00 0.84 0.00 0.00 57.88 58.22 2k9f h LEU 40 Cb 0.58 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2k9f h LEU 40 CO 0.02 1.09 -0.65 0.28 -0.34 0.00 0.00 178.44 178.84 2k9f h SER 41 N 0.89 0.47 -0.13 1.25 0.02 -1.36 -3.07 113.55 111.63 2k9f h SER 41 Ca 0.15 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 2k9f h SER 41 Cb 0.60 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2k9f h SER 41 CO 0.04 0.99 0.04 -0.08 -1.14 0.00 0.00 176.83 176.68 2k9f h GLU 42 N 0.30 0.28 -0.80 3.45 4.22 -1.22 -2.35 114.58 118.46 2k9f h GLU 42 Ca -0.01 -0.03 0.07 0.00 0.08 0.00 0.00 59.36 59.47 2k9f h GLU 42 Cb 1.20 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 2k9f h GLU 42 CO 0.11 0.27 0.47 -0.07 -2.18 0.00 0.00 179.01 177.61 2k9f h LEU 43 N 0.28 0.71 -0.89 1.64 3.38 -1.31 0.25 115.31 119.36 2k9f h LEU 43 Ca 0.07 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2k9f h LEU 43 Cb 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2k9f h LEU 43 CO -0.00 0.43 -0.06 1.23 0.09 0.00 0.00 178.44 180.13 2k9f h GLY 44 N 0.83 0.81 1.17 0.83 0.00 -1.55 -1.10 103.07 104.07 2k9f h GLY 44 Ca 0.37 -0.57 -0.16 0.00 0.00 0.00 0.00 47.33 46.96 2k9f h GLY 44 CO -0.21 0.53 -0.40 -1.61 0.00 0.00 0.00 176.54 174.85 2k9f h GLN 45 N 0.69 0.91 -0.45 4.80 4.15 -1.14 -1.91 115.11 122.16 2k9f h GLN 45 Ca 0.13 -0.48 -0.01 0.00 0.77 0.00 0.00 58.65 59.05 2k9f h GLN 45 Cb 0.51 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 2k9f h GLN 45 CO 0.03 1.13 0.24 1.15 -1.93 0.00 0.00 178.83 179.46 2k9f h THR 46 N 0.73 1.16 -0.48 2.39 2.02 -0.27 0.12 112.91 118.59 2k9f h THR 46 Ca 0.06 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 2k9f h THR 46 Cb 0.99 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 2k9f h THR 46 CO 0.10 0.17 0.26 -0.08 0.37 0.00 0.00 175.52 176.33 2k9f h GLU 47 N 0.59 0.66 -0.09 6.66 4.22 -1.09 0.01 114.58 125.53 2k9f h GLU 47 Ca 0.16 -0.07 -0.08 0.00 0.08 0.00 0.00 59.36 59.45 2k9f h GLU 47 Cb 0.05 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2k9f h GLU 47 CO -0.03 0.49 -0.26 -0.22 -2.18 0.00 0.00 179.01 176.82 2k9f h LYS 48 N 0.67 0.34 -0.24 1.92 1.63 -0.65 -3.21 116.57 117.02 2k9f h LYS 48 Ca 0.17 -0.24 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 2k9f h LYS 48 Cb 0.03 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 2k9f h LYS 48 CO -0.03 0.86 -0.04 -1.49 -3.45 0.00 0.00 179.45 175.30 2k9f h TRP 49 N -0.13 0.38 0.00 1.91 6.55 -0.40 -1.74 115.95 122.52 2k9f h TRP 49 Ca -0.01 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.80 2k9f h TRP 49 Cb 0.88 -0.11 0.00 0.00 -0.86 0.00 0.00 29.16 29.07 2k9f h TRP 49 CO 0.12 0.42 0.00 0.00 -1.05 0.00 0.00 178.44 177.93 2k9f n ALA 50 N -2.49 1.35 0.72 1.49 0.00 -0.04 -1.25 120.51 120.30 2k9f n ALA 50 Ca 0.00 0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.62 2k9f n ALA 50 Cb 0.24 -1.29 0.02 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.04 1.59 -2.24 0.00 1.13 -0.66 -4.87 117.38 110.29 2k9f n GLN 51 Ca 0.01 -1.01 -0.38 0.00 -1.94 0.00 0.00 57.00 53.68 2k9f n GLN 51 Cb 0.12 -1.29 -0.01 0.00 0.11 0.00 0.00 30.24 29.16 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 -1.78 6.35 0.25 1.08 2.15 -0.38 -4.95 116.67 119.39 2k9f s ASP 52 Ca 0.15 2.38 -0.02 0.00 0.43 0.00 0.00 52.55 55.49 2k9f s ASP 52 Cb 0.13 -2.61 0.29 0.00 -0.30 0.00 0.00 42.92 40.43 2k9f s ASP 52 CO 0.36 -0.80 1.72 0.00 -0.17 0.00 0.00 175.17 176.28 2k9f h ALA 53 N 2.43 1.04 -0.05 3.66 0.00 -1.94 -2.69 119.26 121.70 2k9f h ALA 53 Ca -0.49 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 53.97 2k9f h ALA 53 Cb 1.24 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.86 2k9f h ALA 53 CO 0.62 0.59 -0.57 0.87 0.00 0.00 0.00 179.25 180.76 2k9f h LYS 54 N 0.70 0.48 0.00 0.00 1.79 -1.94 -3.15 116.57 114.45 2k9f h LYS 54 Ca 0.12 -0.44 -0.00 0.00 -2.18 0.00 0.00 60.65 58.15 2k9f h LYS 54 Cb 0.55 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2k9f h LYS 54 CO 0.03 1.08 -0.00 0.74 -1.08 0.00 0.00 179.45 180.22 2k9f h PHE 55 N 0.03 0.00 0.00 -1.35 -1.00 -1.81 -1.76 116.94 111.05 2k9f h PHE 55 Ca -0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.72 2k9f h PHE 55 Cb 1.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.80 2k9f h PHE 55 CO 0.13 0.00 0.00 0.43 -1.61 0.00 0.00 178.31 177.26 2k9f n SER 56 N -3.14 0.00 0.17 2.17 7.64 -1.02 -1.80 113.62 117.64 2k9f n SER 56 Ca -0.03 0.09 0.13 0.00 1.01 0.00 0.00 58.87 60.08 2k9f n SER 56 Cb 0.10 -0.27 0.39 0.00 -1.01 0.00 0.00 64.21 63.41 2k9f n SER 56 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k9f h SER 57 N 0.00 0.00 -3.68 6.43 0.02 -1.51 -3.45 113.55 111.36 2k9f h SER 57 Ca 0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 2k9f h SER 57 Cb 0.10 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.50 2k9f h SER 57 CO 0.00 0.00 -0.62 0.00 -1.14 0.00 0.00 176.83 175.07 2k9f s ALA 58 N -3.24 2.11 -0.55 3.77 0.00 -0.74 -4.57 121.76 118.53 2k9f s ALA 58 Ca 0.07 -1.97 -0.12 0.00 0.00 0.00 0.00 51.96 49.94 2k9f s ALA 58 Cb 0.09 0.75 0.14 0.00 0.00 0.00 0.00 23.12 24.10 2k9f s ALA 58 CO 0.58 -0.34 0.46 -0.80 0.00 0.00 0.00 175.76 175.66 2k9f s ASN 59 N -3.42 5.99 -0.11 0.00 0.01 0.45 -4.96 114.94 112.91 2k9f s ASN 59 Ca 0.36 -2.03 -0.24 0.00 -0.71 0.00 0.00 52.86 50.24 2k9f s ASN 59 Cb 0.08 -2.10 -0.03 0.00 0.41 0.00 0.00 41.25 39.61 2k9f s ASN 59 CO 0.14 -0.72 0.73 -0.22 -1.51 0.00 0.00 177.10 175.53 2k9f s LEU 60 N 1.20 4.26 0.02 0.60 2.96 -1.26 0.09 118.68 126.55 2k9f s LEU 60 Ca 0.07 1.16 0.01 0.00 -0.22 0.00 0.00 54.13 55.15 2k9f s LEU 60 Cb -0.25 -3.11 -0.01 0.00 0.50 0.00 0.00 46.19 43.31 2k9f s LEU 60 CO -0.01 -0.21 -0.05 0.27 -1.32 0.00 0.00 176.35 175.04 2k9f s ILE 61 N 1.28 0.33 -0.38 6.68 -4.36 0.19 -4.87 121.20 120.07 2k9f s ILE 61 Ca 0.37 -0.58 -0.12 0.00 -0.26 0.00 0.00 60.65 60.06 2k9f s ILE 61 Cb -0.17 -0.36 0.02 0.00 1.25 0.00 0.00 42.46 43.20 2k9f s ILE 61 CO 0.16 -0.17 0.24 0.42 0.24 0.00 0.00 174.94 175.83 2k9f s THR 62 N -0.74 4.87 -0.09 8.37 -4.23 -0.64 -0.47 115.64 122.71 2k9f s THR 62 Ca -0.05 -0.71 -0.01 0.00 -1.18 0.00 0.00 61.69 59.74 2k9f s THR 62 Cb -0.06 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 2k9f s THR 62 CO -0.00 -0.22 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.13 2k9f s VAL 63 N 1.61 3.90 0.04 2.29 1.01 0.18 -0.19 120.40 129.25 2k9f s VAL 63 Ca 0.04 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.67 2k9f s VAL 63 Cb -0.19 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 2k9f s VAL 63 CO 0.08 0.57 -0.13 0.00 0.00 0.00 0.00 175.10 175.63 2k9f s ALA 64 N -0.53 1.04 -0.53 5.51 0.00 -0.47 -3.35 121.76 123.43 2k9f s ALA 64 Ca 0.08 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 51.17 2k9f s ALA 64 Cb -0.12 -0.13 0.14 0.00 0.00 0.00 0.00 23.12 23.01 2k9f s ALA 64 CO 0.02 0.17 0.37 -1.12 0.00 0.00 0.00 175.76 175.20 2k9f s SER 65 N -1.27 5.51 0.20 0.00 0.01 -1.26 -0.47 113.70 116.43 2k9f s SER 65 Ca -0.01 -2.32 -0.31 0.00 1.31 0.00 0.00 55.95 54.63 2k9f s SER 65 Cb -0.08 -1.92 -0.10 0.00 0.21 0.00 0.00 66.02 64.13 2k9f s SER 65 CO 0.01 -0.54 1.49 -2.16 0.41 0.00 0.00 173.24 172.46 2k9f s PRO 66 N 0.74 4.25 0.00 12.44 0.04 -1.22 -2.15 135.00 149.10 2k9f s PRO 66 Ca 0.11 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2k9f s PRO 66 Cb -0.22 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2k9f s PRO 66 CO -0.03 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 176.91 2k9f n GLY 67 N 3.03 0.71 3.34 0.56 0.00 0.27 -3.03 105.19 110.07 2k9f n GLY 67 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.67 2.13 -2.17 1.61 5.36 -0.91 -4.68 117.98 116.66 2k9f s PHE 68 Ca 0.00 -0.39 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 2k9f s PHE 68 Cb 0.00 -1.19 0.00 0.00 -0.34 0.00 0.00 43.02 41.49 2k9f s PHE 68 CO 0.00 0.24 0.00 1.28 -1.46 0.00 0.00 175.22 175.28 2k9f n LEU 69 N 1.20 -1.57 -1.16 6.12 4.32 -1.26 -1.67 117.00 122.97 2k9f n LEU 69 Ca -0.18 0.46 -0.11 0.00 -0.02 0.00 0.00 56.01 56.16 2k9f n LEU 69 Cb 0.53 -2.88 -0.01 0.00 -1.62 0.00 0.00 43.42 39.43 2k9f n LEU 69 CO 0.23 -0.99 -0.13 1.57 -1.22 0.00 0.00 177.39 176.84 2k9f n HIS 70 N -2.57 -0.40 -1.66 -1.77 -0.00 -1.26 -5.03 115.22 102.52 2k9f n HIS 70 Ca -0.21 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.97 2k9f n HIS 70 Cb 0.69 -2.45 0.00 0.00 -0.12 0.00 0.00 29.99 28.11 2k9f n HIS 70 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2k9f n GLU 71 N -2.20 0.65 -1.94 1.57 -0.58 -0.67 -5.03 120.64 112.44 2k9f n GLU 71 Ca -0.13 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.23 2k9f n GLU 71 Cb 0.54 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.43 2k9f n GLU 71 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2k9f s LYS 72 N -1.95 3.52 0.64 3.49 -0.14 -1.26 -4.27 119.74 119.76 2k9f s LYS 72 Ca 0.00 2.15 -0.10 0.00 -1.36 0.00 0.00 55.97 56.66 2k9f s LYS 72 Cb 0.00 -2.45 -0.02 0.00 -1.68 0.00 0.00 37.83 33.68 2k9f s LYS 72 CO 0.00 -0.86 1.03 0.21 -0.76 0.00 0.00 175.35 174.97 2k9f s LYS 73 N -2.66 3.31 0.65 1.68 2.20 -1.26 -0.56 119.74 123.10 2k9f s LYS 73 Ca 0.65 0.57 -0.18 0.00 -0.36 0.00 0.00 55.97 56.65 2k9f s LYS 73 Cb -0.38 -2.09 -0.01 0.00 -1.51 0.00 0.00 37.83 33.84 2k9f s LYS 73 CO 0.47 -0.71 1.26 -3.47 -0.36 0.00 0.00 175.35 172.54 2k9f n ASP 74 N -2.79 1.91 0.00 1.43 2.03 -1.26 -1.11 116.55 116.76 2k9f n ASP 74 Ca 0.06 0.82 0.00 0.00 0.52 0.00 0.00 54.79 56.19 2k9f n ASP 74 Cb 0.55 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 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 0.95 1.60 0.19 0.27 0.00 -1.26 -4.50 105.19 102.44 2k9f n GLY 75 Ca 0.16 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 0.88 -0.46 1.61 1.82 -1.89 -3.24 116.42 115.14 2k9f h ASP 76 Ca 0.00 -0.75 -0.04 0.00 -0.39 0.00 0.00 57.03 55.85 2k9f h ASP 76 Cb 0.00 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.71 2k9f h ASP 76 CO 0.00 1.55 0.16 0.15 -1.61 0.00 0.00 179.24 179.49 2k9f h PHE 77 N 0.34 0.78 -0.13 0.28 3.57 -1.34 -2.33 116.94 118.10 2k9f h PHE 77 Ca -0.15 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.22 2k9f h PHE 77 Cb 1.78 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.27 2k9f h PHE 77 CO 0.11 0.64 -0.24 -0.56 -2.23 0.00 0.00 178.31 176.02 2k9f h GLN 78 N 0.75 0.23 0.00 1.11 3.07 -1.83 -1.87 115.11 116.57 2k9f h GLN 78 Ca 0.17 -0.07 -0.09 0.00 0.09 0.00 0.00 58.65 58.75 2k9f h GLN 78 Cb 0.22 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.75 2k9f h GLN 78 CO -0.01 0.47 -0.41 0.87 0.09 0.00 0.00 178.83 179.84 2k9f h LYS 79 N 0.21 0.00 0.73 0.06 1.57 -1.45 -1.49 116.57 116.21 2k9f h LYS 79 Ca 0.04 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2k9f h LYS 79 Cb 0.54 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.86 2k9f h LYS 79 CO 0.04 0.41 -0.35 2.35 -0.57 0.00 0.00 179.45 181.32 2k9f h TRP 80 N 0.00 -0.91 -0.40 -1.35 2.91 -1.07 -2.42 115.95 112.71 2k9f h TRP 80 Ca -0.00 -0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.91 2k9f h TRP 80 Cb 0.86 0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 29.80 2k9f h TRP 80 CO 0.00 -0.55 -0.09 -0.92 -1.03 0.00 0.00 178.44 175.85 2k9f h TYR 81 N -1.05 0.75 -0.00 2.65 3.20 -1.51 -2.51 116.97 118.50 2k9f h TYR 81 Ca -0.10 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.65 2k9f h TYR 81 Cb 0.77 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 2k9f h TYR 81 CO -0.01 0.76 0.01 0.00 -1.64 0.00 0.00 178.16 177.28 2k9f h ALA 82 N 1.26 1.09 -0.28 1.82 0.00 -1.15 0.02 119.26 122.02 2k9f h ALA 82 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2k9f h ALA 82 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k9f h ALA 82 CO 0.03 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2k9f n GLY 83 N -1.12 1.49 3.35 0.00 0.00 -0.92 -4.99 105.19 103.00 2k9f n GLY 83 Ca -0.03 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 0.99 4.77 -0.01 -5.09 117.00 118.63 2k9f n LEU 84 Ca 0.14 -2.16 -0.17 0.00 -0.03 0.00 0.00 56.01 53.78 2k9f n LEU 84 Cb 0.47 -0.35 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 2k9f n LEU 84 CO 0.11 -0.68 0.21 -3.20 -1.33 0.00 0.00 177.39 172.50 2k9f n ASN 85 N -2.40 1.95 -2.26 -1.43 5.15 -1.26 -4.91 115.26 110.10 2k9f n ASN 85 Ca 0.13 -2.34 -0.04 0.00 -0.60 0.00 0.00 54.58 51.74 2k9f n ASN 85 Cb 0.52 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.54 2k9f n ASN 85 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2k9f n TYR 86 N -1.84 -1.88 1.52 1.20 4.01 -1.26 -4.90 117.16 114.01 2k9f n TYR 86 Ca 0.08 0.75 0.00 0.00 -0.16 0.00 0.00 57.90 58.57 2k9f n TYR 86 Cb 0.49 -2.93 0.00 0.00 -0.31 0.00 0.00 39.34 36.59 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 -0.54 0.86 -0.26 -0.72 -0.04 -1.26 -2.72 135.00 130.32 2k9f n PRO 87 Ca 0.06 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.59 2k9f n PRO 87 Cb 0.29 -1.10 0.20 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.37 2.91 -2.98 0.54 4.76 -1.26 -4.93 118.16 116.83 2k9f n LYS 88 Ca 0.00 -2.27 -0.43 0.00 -2.87 0.00 0.00 58.31 52.74 2k9f n LYS 88 Cb 0.05 -1.41 -0.05 0.00 -1.84 0.00 0.00 35.03 31.78 2k9f n LYS 88 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2k9f s LEU 89 N -1.23 4.24 -1.14 -0.35 1.43 -1.10 -4.96 118.68 115.57 2k9f s LEU 89 Ca 0.31 -0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 53.21 2k9f s LEU 89 Cb 0.17 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 2k9f s LEU 89 CO 0.18 -0.86 2.10 -0.81 0.23 0.00 0.00 176.35 177.19 2k9f n PRO 90 N 6.61 2.23 -2.52 1.29 -0.04 -1.26 -4.91 135.00 136.40 2k9f n PRO 90 Ca 0.02 -2.24 -0.42 0.00 -0.04 0.00 0.00 63.50 60.82 2k9f n PRO 90 Cb 0.48 -3.11 -0.02 0.00 -0.04 0.00 0.00 33.50 30.81 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 4.02 4.01 -0.02 0.52 1.01 -1.25 -1.62 120.40 127.08 2k9f s VAL 91 Ca 0.52 0.97 -0.16 0.00 0.00 0.00 0.00 61.98 63.30 2k9f s VAL 91 Cb 0.14 -4.56 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 2k9f s VAL 91 CO 0.01 -1.12 0.45 -0.69 0.00 0.00 0.00 175.10 173.75 2k9f s VAL 92 N 5.08 5.02 -0.53 2.92 1.01 0.73 -0.53 120.40 134.10 2k9f s VAL 92 Ca 0.49 0.92 -0.15 0.00 0.00 0.00 0.00 61.98 63.24 2k9f s VAL 92 Cb -0.09 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.65 2k9f s VAL 92 CO 0.29 0.51 0.48 0.42 0.00 0.00 0.00 175.10 176.80 2k9f s THR 93 N -0.64 5.14 -1.01 3.92 -4.23 0.07 -1.37 115.64 117.52 2k9f s THR 93 Ca 0.25 -1.48 -0.14 0.00 -1.18 0.00 0.00 61.69 59.14 2k9f s THR 93 Cb -0.17 -4.28 0.20 0.00 1.34 0.00 0.00 72.50 69.59 2k9f s THR 93 CO 0.13 -0.84 1.10 -0.62 -0.54 0.00 0.00 174.62 173.86 2k9f s ASP 94 N 3.46 6.94 -0.13 3.99 2.15 0.38 -4.32 116.67 129.14 2k9f s ASP 94 Ca 0.03 -2.81 -0.29 0.00 0.43 0.00 0.00 52.55 49.91 2k9f s ASP 94 Cb -0.29 -2.30 -0.06 0.00 -0.30 0.00 0.00 42.92 39.96 2k9f s ASP 94 CO 0.03 -0.67 1.99 0.21 -0.17 0.00 0.00 175.17 176.56 2k9f s ASN 95 N 2.50 6.02 0.00 -0.34 3.84 -1.26 -1.50 114.94 124.21 2k9f s ASN 95 Ca 0.31 2.11 0.00 0.00 0.21 0.00 0.00 52.86 55.48 2k9f s ASN 95 Cb -0.07 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.11 2k9f s ASN 95 CO -0.07 -1.48 0.00 0.61 -2.79 0.00 0.00 177.10 173.38 2k9f n GLY 96 N 5.07 1.17 2.16 1.21 0.00 -1.17 -4.41 105.19 109.22 2k9f n GLY 96 Ca 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.00 0.06 0.20 -0.02 0.00 -0.56 -4.85 105.19 98.02 2k9f n GLY 97 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.60 1.27 0.10 2.61 2.02 -1.78 0.49 112.91 117.03 2k9f h THR 98 Ca -0.25 -1.06 -0.27 0.00 0.77 0.00 0.00 66.41 65.60 2k9f h THR 98 Cb 1.14 1.28 0.03 0.00 -1.74 0.00 0.00 68.15 68.85 2k9f h THR 98 CO 0.20 0.34 -1.10 0.40 0.37 0.00 0.00 175.52 175.73 2k9f h ILE 99 N 0.41 1.33 -0.87 3.11 1.08 -1.93 -2.61 117.51 118.04 2k9f h ILE 99 Ca 0.09 -2.41 0.03 0.00 -0.39 0.00 0.00 64.86 62.19 2k9f h ILE 99 Cb 0.52 2.73 -0.05 0.00 -3.07 0.00 0.00 36.82 36.95 2k9f h ILE 99 CO 0.03 0.72 0.56 0.00 -0.69 0.00 0.00 178.15 178.77 2k9f h ALA 100 N 0.27 1.15 -0.27 1.87 0.00 -1.93 -0.38 119.26 119.97 2k9f h ALA 100 Ca -0.17 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 2k9f h ALA 100 Cb 1.80 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2k9f h ALA 100 CO 0.21 0.41 -0.41 0.37 0.00 0.00 0.00 179.25 179.82 2k9f h GLN 101 N 1.09 0.75 0.00 0.00 4.15 -0.95 0.38 115.11 120.52 2k9f h GLN 101 Ca 0.35 -0.45 -0.05 0.00 0.77 0.00 0.00 58.65 59.27 2k9f h GLN 101 Cb 0.01 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 2k9f h GLN 101 CO -0.12 1.08 -0.23 0.77 -1.93 0.00 0.00 178.83 178.40 2k9f h SER 102 N 0.49 0.00 -0.02 -0.69 0.02 -1.04 -2.19 113.55 110.13 2k9f h SER 102 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2k9f h SER 102 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2k9f h SER 102 CO 0.10 0.23 -0.26 0.18 -1.14 0.00 0.00 176.83 175.93 2k9f n LEU 103 N -3.96 2.39 -3.58 5.07 4.77 -0.20 -4.99 117.00 116.51 2k9f n LEU 103 Ca -0.02 -0.86 -0.23 0.00 -0.03 0.00 0.00 56.01 54.87 2k9f n LEU 103 Cb 0.31 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.45 2k9f n LEU 103 CO 0.35 0.42 -0.04 -3.20 -1.33 0.00 0.00 177.39 173.59 2k9f n ASN 104 N 0.54 -3.96 -4.69 -1.43 5.15 -0.07 -4.93 115.26 105.86 2k9f n ASN 104 Ca 0.11 -0.86 -0.42 0.00 -0.60 0.00 0.00 54.58 52.81 2k9f n ASN 104 Cb 0.51 -4.14 -0.03 0.00 -0.53 0.00 0.00 39.78 35.59 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 -3.52 4.82 0.00 -1.44 1.01 -0.09 -4.90 121.20 117.08 2k9f s ILE 105 Ca 0.28 1.99 0.00 0.00 0.00 0.00 0.00 60.65 62.92 2k9f s ILE 105 Cb -0.07 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.11 2k9f s ILE 105 CO 0.81 0.04 0.25 -1.54 0.00 0.00 0.00 174.94 174.50 2k9f n SER 106 N 4.81 0.51 -3.65 3.58 3.41 -1.26 -4.92 113.62 116.10 2k9f n SER 106 Ca 0.08 -0.86 -0.15 0.00 -0.26 0.00 0.00 58.87 57.68 2k9f n SER 106 Cb 0.49 0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.13 0.04 0.22 -3.33 0.11 -1.26 -5.18 120.40 110.87 2k9f s VAL 107 Ca 0.00 -0.31 0.10 0.00 -2.93 0.00 0.00 61.98 58.85 2k9f s VAL 107 Cb 0.00 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 2k9f s VAL 107 CO 0.00 -0.17 -0.16 -0.31 -3.33 0.00 0.00 175.10 171.13 2k9f s TYR 108 N -1.70 2.46 -0.07 1.54 2.02 -1.26 -3.80 117.35 116.53 2k9f s TYR 108 Ca -0.10 -0.29 -0.23 0.00 -0.37 0.00 0.00 57.07 56.08 2k9f s TYR 108 Cb -0.02 -1.16 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 2k9f s TYR 108 CO 0.04 0.57 0.67 -1.25 -1.57 0.00 0.00 175.55 174.00 2k9f s PRO 109 N -3.02 4.42 -0.13 -1.71 0.05 -1.25 -4.76 135.00 128.60 2k9f s PRO 109 Ca 0.25 0.82 -0.15 0.00 0.05 0.00 0.00 61.00 61.97 2k9f s PRO 109 Cb -0.07 -3.44 -0.05 0.00 0.05 0.00 0.00 34.50 30.99 2k9f s PRO 109 CO 0.14 0.09 0.37 -1.12 0.05 0.00 0.00 177.00 176.53 2k9f s SER 110 N 0.74 6.55 -0.26 6.66 0.01 -1.13 -3.93 113.70 122.34 2k9f s SER 110 Ca 0.36 0.65 -0.03 0.00 1.31 0.00 0.00 55.95 58.24 2k9f s SER 110 Cb -0.17 -2.23 0.02 0.00 0.21 0.00 0.00 66.02 63.85 2k9f s SER 110 CO 0.17 0.08 -0.02 0.26 0.41 0.00 0.00 173.24 174.14 2k9f s TRP 111 N 0.43 3.09 -0.28 2.43 0.52 -0.34 -0.79 118.94 123.99 2k9f s TRP 111 Ca 0.21 -1.34 -0.07 0.00 0.02 0.00 0.00 56.10 54.91 2k9f s TRP 111 Cb -0.14 -2.12 -0.01 0.00 -1.15 0.00 0.00 33.47 30.05 2k9f s TRP 111 CO 0.07 -0.67 0.08 0.00 0.02 0.00 0.00 176.95 176.45 2k9f s ALA 112 N 1.39 3.12 -0.39 0.98 0.00 0.94 -0.26 121.76 127.53 2k9f s ALA 112 Ca 0.01 -1.32 -0.16 0.00 0.00 0.00 0.00 51.96 50.49 2k9f s ALA 112 Cb -0.17 -2.15 0.01 0.00 0.00 0.00 0.00 23.12 20.82 2k9f s ALA 112 CO -0.02 -0.75 0.40 -1.17 0.00 0.00 0.00 175.76 174.22 2k9f s LEU 113 N 1.56 4.73 -0.19 0.00 2.96 0.46 -0.97 118.68 127.24 2k9f s LEU 113 Ca 0.04 -0.54 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 2k9f s LEU 113 Cb -0.16 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 2k9f s LEU 113 CO 0.03 -0.49 0.21 -0.63 -1.32 0.00 0.00 176.35 174.16 2k9f s ILE 114 N 2.06 5.35 1.15 6.68 1.09 0.10 -0.52 121.20 137.12 2k9f s ILE 114 Ca 0.11 0.37 -0.17 0.00 -1.10 0.00 0.00 60.65 59.86 2k9f s ILE 114 Cb -0.17 -3.55 0.26 0.00 -1.06 0.00 0.00 42.46 37.94 2k9f s ILE 114 CO 0.13 0.40 1.10 -0.83 -0.10 0.00 0.00 174.94 175.64 2k9f s GLY 115 N 0.51 1.57 0.00 6.18 0.00 0.92 -1.50 107.32 115.01 2k9f s GLY 115 Ca 0.12 -0.79 0.19 0.00 0.00 0.00 0.00 44.72 44.25 2k9f s GLY 115 CO 0.02 0.03 1.56 0.58 0.00 0.00 0.00 173.10 175.28 2k9f n LYS 116 N -4.63 0.49 0.04 2.90 2.85 -1.26 -1.66 118.16 116.89 2k9f n LYS 116 Ca 0.11 0.04 0.12 0.00 -1.05 0.00 0.00 58.31 57.52 2k9f n LYS 116 Cb 0.59 -1.50 0.14 0.00 -0.65 0.00 0.00 35.03 33.60 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 -1.10 0.64 0.00 -5.58 8.00 -1.26 -4.60 116.55 112.65 2k9f n ASP 117 Ca 0.13 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2k9f n ASP 117 Cb 0.09 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 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 1.37 0.86 3.43 0.44 0.00 -0.66 -5.09 105.19 105.54 2k9f n GLY 118 Ca 0.03 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.38 2.61 -0.03 1.61 -4.77 -1.26 -4.93 116.67 107.53 2k9f s ASP 119 Ca 0.00 -1.24 -0.30 0.00 -3.30 0.00 0.00 52.55 47.71 2k9f s ASP 119 Cb 0.00 -0.14 -0.04 0.00 -1.09 0.00 0.00 42.92 41.65 2k9f s ASP 119 CO 0.00 -0.42 1.29 -0.69 0.70 0.00 0.00 175.17 176.05 2k9f s VAL 120 N -3.11 4.00 -0.08 2.11 1.01 -1.26 -0.05 120.40 123.01 2k9f s VAL 120 Ca 0.31 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.65 2k9f s VAL 120 Cb 0.05 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2k9f s VAL 120 CO 0.12 0.00 -0.07 1.67 0.00 0.00 0.00 175.10 176.83 2k9f n GLN 121 N 5.24 0.31 -3.96 2.72 7.27 0.32 -4.83 117.38 124.46 2k9f n GLN 121 Ca 0.12 0.04 -0.09 0.00 0.07 0.00 0.00 57.00 57.14 2k9f n GLN 121 Cb 0.45 -1.16 -0.10 0.00 2.41 0.00 0.00 30.24 31.83 2k9f n GLN 121 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2k9f s ARG 122 N -2.16 0.41 -0.04 3.69 6.06 -0.79 -5.02 118.95 121.09 2k9f s ARG 122 Ca -0.11 -0.62 0.00 0.00 -2.50 0.00 0.00 55.73 52.50 2k9f s ARG 122 Cb 0.03 0.15 0.03 0.00 0.06 0.00 0.00 34.95 35.22 2k9f s ARG 122 CO 0.19 -0.08 -0.00 -1.50 -2.50 0.00 0.00 175.30 171.40 2k9f s ILE 123 N -1.76 0.24 -0.12 4.11 1.10 -1.26 -0.40 121.20 123.11 2k9f s ILE 123 Ca -0.13 0.07 0.02 0.00 -0.51 0.00 0.00 60.65 60.10 2k9f s ILE 123 Cb -0.07 -0.34 -0.01 0.00 0.15 0.00 0.00 42.46 42.20 2k9f s ILE 123 CO -0.01 0.17 -0.18 -0.69 -2.11 0.00 0.00 174.94 172.11 2k9f s VAL 124 N 1.13 2.54 -0.17 4.00 1.01 0.63 -5.00 120.40 124.55 2k9f s VAL 124 Ca -0.08 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 2k9f s VAL 124 Cb -0.13 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 34.26 2k9f s VAL 124 CO -0.02 0.54 -0.05 -0.54 0.00 0.00 0.00 175.10 175.03 2k9f s LYS 125 N 0.45 1.38 0.00 2.72 1.02 -1.26 -1.20 119.74 122.85 2k9f s LYS 125 Ca -0.13 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.34 2k9f s LYS 125 Cb -0.17 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 2k9f s LYS 125 CO 0.06 -0.45 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 2k9f n GLY 126 N 4.88 0.69 3.56 -3.33 0.00 -1.25 -5.09 105.19 104.65 2k9f n GLY 126 Ca -0.12 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 2k9f n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k9f s SER 127 N -4.00 -0.45 0.31 1.61 0.01 -1.26 -3.84 113.70 106.08 2k9f s SER 127 Ca 0.00 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.10 2k9f s SER 127 Cb 0.00 0.62 -0.06 0.00 0.21 0.00 0.00 66.02 66.79 2k9f s SER 127 CO 0.00 -1.05 0.08 0.27 0.41 0.00 0.00 173.24 172.94 2k9f s ILE 128 N -3.74 0.96 0.14 1.44 -5.25 -1.26 -5.09 121.20 108.40 2k9f s ILE 128 Ca 0.05 -2.00 -0.09 0.00 -0.99 0.00 0.00 60.65 57.62 2k9f s ILE 128 Cb -0.02 -2.71 -0.01 0.00 2.95 0.00 0.00 42.46 42.67 2k9f s ILE 128 CO -0.06 0.00 0.24 0.54 -1.79 0.00 0.00 174.94 173.87 2k9f s ASN 129 N -3.45 0.07 0.17 4.36 2.20 -1.26 -5.05 114.94 111.99 2k9f s ASN 129 Ca 0.36 -0.80 -0.14 0.00 -0.94 0.00 0.00 52.86 51.34 2k9f s ASN 129 Cb 0.08 0.40 0.11 0.00 -2.00 0.00 0.00 41.25 39.84 2k9f s ASN 129 CO 0.15 -0.83 1.79 -0.08 -2.94 0.00 0.00 177.10 175.19 2k9f h GLU 130 N 2.62 0.48 -0.85 3.55 4.81 -2.02 -0.92 114.58 122.25 2k9f h GLU 130 Ca -0.33 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 2k9f h GLU 130 Cb 1.22 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 2k9f h GLU 130 CO 0.51 0.32 0.48 0.00 -0.73 0.00 0.00 179.01 179.60 2k9f h ALA 131 N 1.25 1.09 -0.63 2.92 0.00 -1.99 -1.34 119.26 120.56 2k9f h ALA 131 Ca 0.21 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2k9f h ALA 131 Cb 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2k9f h ALA 131 CO -0.14 0.58 0.12 0.37 0.00 0.00 0.00 179.25 180.18 2k9f h GLN 132 N 1.18 1.03 -0.23 0.00 4.15 -1.81 -0.49 115.11 118.94 2k9f h GLN 132 Ca 0.30 -0.27 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 2k9f h GLN 132 Cb 0.00 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 2k9f h GLN 132 CO -0.05 0.95 0.14 0.00 -1.93 0.00 0.00 178.83 177.94 2k9f h ALA 133 N 1.04 0.30 -0.56 3.38 0.00 -0.64 -0.52 119.26 122.25 2k9f h ALA 133 Ca 0.19 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2k9f h ALA 133 Cb 0.41 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2k9f h ALA 133 CO 0.01 -0.20 0.09 -0.07 0.00 0.00 0.00 179.25 179.08 2k9f h LEU 134 N 0.29 0.85 -0.76 0.00 3.38 -1.10 -2.65 115.31 115.32 2k9f h LEU 134 Ca 0.08 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2k9f h LEU 134 Cb 0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2k9f h LEU 134 CO -0.02 0.86 0.29 0.00 0.09 0.00 0.00 178.44 179.67 2k9f h ALA 135 N 1.24 0.99 -0.51 1.53 0.00 -0.69 -1.79 119.26 120.03 2k9f h ALA 135 Ca 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2k9f h ALA 135 Cb 0.38 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2k9f h ALA 135 CO 0.01 0.63 0.18 1.25 0.00 0.00 0.00 179.25 181.31 2k9f h LEU 136 N 1.11 0.68 -0.80 0.00 5.85 -0.77 0.26 115.31 121.64 2k9f h LEU 136 Ca 0.25 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 2k9f h LEU 136 Cb 0.23 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2k9f h LEU 136 CO -0.02 0.64 -0.45 0.40 -0.34 0.00 0.00 178.44 178.68 2k9f h ILE 137 N 0.74 1.00 0.22 4.05 2.04 -1.12 -3.10 117.51 121.34 2k9f h ILE 137 Ca 0.17 -1.74 -0.31 0.00 1.00 0.00 0.00 64.86 63.99 2k9f h ILE 137 Cb 0.19 2.03 0.03 0.00 -0.74 0.00 0.00 36.82 38.34 2k9f h ILE 137 CO -0.01 0.44 -1.39 -0.09 0.00 0.00 0.00 178.15 177.09 2k9f h ARG 138 N 0.00 0.47 -1.91 2.37 9.65 -0.45 -3.45 114.38 121.07 2k9f h ARG 138 Ca -0.00 -0.81 -0.06 0.00 -1.10 0.00 0.00 59.98 58.00 2k9f h ARG 138 Cb 1.00 0.30 -0.26 0.00 -1.39 0.00 0.00 29.97 29.62 2k9f h ARG 138 CO 0.06 1.39 -0.37 0.34 2.80 0.00 0.00 179.97 184.18 2k9f s ASP 139 N -7.43 -0.37 0.00 -3.80 2.15 0.83 -5.02 116.67 103.04 2k9f s ASP 139 Ca -0.11 0.72 0.09 0.00 0.43 0.00 0.00 52.55 53.67 2k9f s ASP 139 Cb 0.04 1.51 0.42 0.00 -0.30 0.00 0.00 42.92 44.59 2k9f s ASP 139 CO 0.91 -0.26 1.23 -0.81 -0.17 0.00 0.00 175.17 176.06 2k9f n PRO 140 N 5.39 0.06 0.00 4.34 -0.04 -1.18 -1.68 135.00 141.90 2k9f n PRO 140 Ca -0.05 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 63.82 2k9f n PRO 140 Cb 0.50 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.94 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 -1.39 0.53 -4.55 3.54 3.02 -1.26 -4.74 115.26 110.40 2k9f n ASN 141 Ca 0.03 -0.42 -0.39 0.00 -0.03 0.00 0.00 54.58 53.77 2k9f n ASN 141 Cb 0.09 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 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 -2.67 2.56 -0.20 5.41 0.00 -0.68 -4.98 121.76 121.20 2k9f s ALA 142 Ca 0.22 -1.50 -0.09 0.00 0.00 0.00 0.00 51.96 50.59 2k9f s ALA 142 Cb 0.19 -4.36 -0.04 0.00 0.00 0.00 0.00 23.12 18.91 2k9f s ALA 142 CO 0.54 -3.60 0.10 0.34 0.00 0.00 0.00 175.76 173.15 2k9f s ASP 143 N 5.10 5.86 0.00 0.00 -1.08 -1.26 -4.77 116.67 120.52 2k9f s ASP 143 Ca 0.46 0.11 0.00 0.00 -0.52 0.00 0.00 52.55 52.60 2k9f s ASP 143 Cb -0.07 -2.02 0.00 0.00 -1.46 0.00 0.00 42.92 39.37 2k9f s ASP 143 CO 0.08 0.14 0.00 -0.11 0.52 0.00 0.00 175.17 175.80