#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 2.09 -0.10 1.12 0.24 -1.26 -4.90 118.33 115.52 2k9f n VAL 2 Ca 0.00 -5.24 -0.09 0.00 -2.04 0.00 0.00 64.34 56.96 2k9f n VAL 2 Cb 0.00 -1.27 0.05 0.00 -1.47 0.00 0.00 33.84 31.15 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 3.20 0.84 -0.53 7.34 0.13 -1.99 -2.12 132.00 138.87 2k9f h PRO 3 Ca 0.13 -0.36 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 2k9f h PRO 3 Cb 0.64 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 2k9f h PRO 3 CO 0.73 1.00 0.25 1.12 -0.23 0.00 0.00 178.00 180.87 2k9f h HIS 4 N 0.72 0.78 -0.52 1.56 2.07 -1.98 -1.74 115.15 116.05 2k9f h HIS 4 Ca 0.09 -0.04 -0.05 0.00 -2.85 0.00 0.00 60.37 57.52 2k9f h HIS 4 Cb 0.80 -0.24 -0.02 0.00 2.57 0.00 0.00 27.41 30.52 2k9f h HIS 4 CO 0.04 0.62 0.12 1.15 -3.07 0.00 0.00 177.93 176.79 2k9f h THR 5 N 0.72 1.24 -0.03 6.12 2.02 -1.94 -2.20 112.91 118.85 2k9f h THR 5 Ca 0.18 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 2k9f h THR 5 Cb 0.14 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 2k9f h THR 5 CO -0.02 0.31 -0.08 0.25 0.37 0.00 0.00 175.52 176.36 2k9f h LEU 6 N 0.72 0.03 -0.11 2.58 5.85 -1.14 -0.13 115.31 123.11 2k9f h LEU 6 Ca 0.16 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2k9f h LEU 6 Cb 0.34 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2k9f h LEU 6 CO 0.00 0.12 -0.15 -1.20 -0.34 0.00 0.00 178.44 176.87 2k9f n SER 7 N -4.43 0.32 -0.10 1.25 7.64 -0.67 -3.10 113.62 114.53 2k9f n SER 7 Ca -0.02 -0.21 0.12 0.00 1.01 0.00 0.00 58.87 59.77 2k9f n SER 7 Cb 0.17 -0.14 0.25 0.00 -1.01 0.00 0.00 64.21 63.49 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 -1.22 0.00 -1.87 0.44 -1.04 -0.07 -4.50 114.28 106.03 2k9f n THR 8 Ca 0.11 -0.05 -0.43 0.00 -2.04 0.00 0.00 64.05 61.64 2k9f n THR 8 Cb 0.30 0.39 -0.03 0.00 -1.82 0.00 0.00 70.33 69.18 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 -2.82 3.54 -0.05 -4.42 2.01 -1.18 -4.92 118.68 110.86 2k9f s LEU 9 Ca 0.15 1.57 -0.11 0.00 0.01 0.00 0.00 54.13 55.76 2k9f s LEU 9 Cb 0.18 -3.52 -0.05 0.00 0.01 0.00 0.00 46.19 42.81 2k9f s LEU 9 CO 0.65 -1.73 0.29 -0.54 1.01 0.00 0.00 176.35 176.02 2k9f s LYS 10 N 5.76 3.68 0.86 1.70 1.02 -1.26 -0.54 119.74 130.97 2k9f s LYS 10 Ca 0.86 0.14 -0.13 0.00 0.02 0.00 0.00 55.97 56.86 2k9f s LYS 10 Cb -0.27 -3.19 0.14 0.00 -0.52 0.00 0.00 37.83 33.99 2k9f s LYS 10 CO 0.34 0.72 1.22 0.95 -0.92 0.00 0.00 175.35 177.66 2k9f s THR 11 N -1.09 2.04 -0.90 2.17 -4.23 0.79 -0.78 115.64 113.64 2k9f s THR 11 Ca 0.21 -0.06 0.14 0.00 -1.18 0.00 0.00 61.69 60.80 2k9f s THR 11 Cb -0.14 -2.98 0.13 0.00 1.34 0.00 0.00 72.50 70.85 2k9f s THR 11 CO 0.10 0.00 1.45 0.00 -0.54 0.00 0.00 174.62 175.63 2k9f n ALA 12 N -3.46 1.57 1.22 3.99 0.00 0.13 -0.65 120.51 123.31 2k9f n ALA 12 Ca 0.12 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.67 2k9f n ALA 12 Cb 0.60 -1.23 0.32 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.64 1.25 0.00 0.00 2.03 -1.26 -4.93 116.55 112.01 2k9f n ASP 13 Ca 0.03 -1.05 0.00 0.00 0.52 0.00 0.00 54.79 54.29 2k9f n ASP 13 Cb 0.16 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 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 -0.46 -3.04 -4.87 1.67 2.85 0.17 -5.04 115.26 106.54 2k9f n ASN 14 Ca 0.12 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.24 2k9f n ASN 14 Cb 0.37 -0.55 -0.05 0.00 1.24 0.00 0.00 39.78 40.79 2k9f n ASN 14 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2k9f s ARG 15 N -0.03 3.74 0.54 1.20 0.52 -1.26 -4.74 118.95 118.92 2k9f s ARG 15 Ca 0.00 0.15 -0.20 0.00 -0.52 0.00 0.00 55.73 55.16 2k9f s ARG 15 Cb 0.00 -3.02 -0.05 0.00 0.52 0.00 0.00 34.95 32.40 2k9f s ARG 15 CO 0.00 0.58 1.18 -1.25 0.02 0.00 0.00 175.30 175.83 2k9f s PRO 16 N -1.85 3.32 0.00 3.54 0.04 -1.26 -0.15 135.00 138.64 2k9f s PRO 16 Ca 0.32 1.76 0.07 0.00 0.04 0.00 0.00 61.00 63.18 2k9f s PRO 16 Cb -0.14 -2.09 0.32 0.00 0.04 0.00 0.00 34.50 32.63 2k9f s PRO 16 CO 0.17 -0.91 1.18 0.00 0.04 0.00 0.00 177.00 177.48 2k9f n ALA 17 N -1.18 1.39 0.25 8.56 0.00 0.30 -2.74 120.51 127.09 2k9f n ALA 17 Ca 0.11 -0.03 0.18 0.00 0.00 0.00 0.00 53.44 53.70 2k9f n ALA 17 Cb 0.49 -1.11 0.90 0.00 0.00 0.00 0.00 19.45 19.73 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 0.15 0.00 0.02 -1.84 -0.56 113.55 111.32 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 0.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 2k9f h SER 18 CO 0.00 0.00 -0.01 -0.37 -1.14 0.00 0.00 176.83 175.31 2k9f h VAL 19 N 0.00 0.11 0.00 2.27 -1.51 -1.91 -2.13 116.25 113.08 2k9f h VAL 19 Ca 0.05 -0.10 -0.04 0.00 -1.23 0.00 0.00 66.70 65.39 2k9f h VAL 19 Cb 0.37 1.08 -0.08 0.00 -2.13 0.00 0.00 31.29 30.53 2k9f h VAL 19 CO -0.00 0.01 -0.47 -1.22 -1.23 0.00 0.00 177.57 174.65 2k9f n TYR 20 N -3.22 0.00 -2.93 5.19 4.02 -0.25 -4.83 117.16 115.14 2k9f n TYR 20 Ca -0.02 -0.62 -0.17 0.00 -0.01 0.00 0.00 57.90 57.08 2k9f n TYR 20 Cb 0.11 -0.13 -0.01 0.00 -0.02 0.00 0.00 39.34 39.29 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 -0.47 1.89 0.00 7.72 4.77 -0.80 -4.82 117.00 125.29 2k9f n LEU 21 Ca 0.09 -4.73 -0.11 0.00 -0.03 0.00 0.00 56.01 51.22 2k9f n LEU 21 Cb 0.78 0.34 0.01 0.00 -2.33 0.00 0.00 43.42 42.22 2k9f n LEU 21 CO -0.01 2.08 0.40 1.17 -1.33 0.00 0.00 177.39 179.69 2k9f n LYS 22 N 0.03 0.97 -1.15 3.23 4.81 -1.25 -4.81 118.16 119.99 2k9f n LYS 22 Ca 0.22 -2.41 -0.05 0.00 -0.87 0.00 0.00 58.31 55.20 2k9f n LYS 22 Cb 0.67 2.73 -0.02 0.00 0.02 0.00 0.00 35.03 38.43 2k9f n LYS 22 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2k9f n LYS 23 N -0.55 -0.90 -3.64 1.64 5.02 -1.26 -3.16 118.16 115.31 2k9f n LYS 23 Ca -0.05 0.56 -0.26 0.00 -2.02 0.00 0.00 58.31 56.53 2k9f n LYS 23 Cb 0.59 -4.42 0.05 0.00 -0.02 0.00 0.00 35.03 31.22 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 -0.15 -5.63 -4.68 4.39 9.92 -1.26 -4.99 116.55 114.15 2k9f n ASP 24 Ca -0.05 -0.60 -0.32 0.00 -0.53 0.00 0.00 54.79 53.29 2k9f n ASP 24 Cb 0.31 -4.47 -0.09 0.00 -0.64 0.00 0.00 41.12 36.23 2k9f n ASP 24 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2k9f s LYS 25 N -6.35 2.76 0.46 -1.24 -0.14 -1.19 -4.68 119.74 109.36 2k9f s LYS 25 Ca 0.58 -0.64 -0.25 0.00 -1.36 0.00 0.00 55.97 54.31 2k9f s LYS 25 Cb -0.27 -2.66 -0.08 0.00 -1.68 0.00 0.00 37.83 33.15 2k9f s LYS 25 CO 0.71 0.62 1.37 -1.25 -0.76 0.00 0.00 175.35 176.04 2k9f s PRO 26 N -1.64 3.63 0.02 -1.68 0.04 -1.26 -4.55 135.00 129.55 2k9f s PRO 26 Ca 0.20 2.29 0.07 0.00 0.04 0.00 0.00 61.00 63.60 2k9f s PRO 26 Cb -0.12 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.82 2k9f s PRO 26 CO 0.11 -0.82 -0.19 0.99 0.04 0.00 0.00 177.00 177.14 2k9f s THR 27 N -1.25 2.72 -0.28 1.26 2.01 0.13 -0.43 115.64 119.79 2k9f s THR 27 Ca 0.63 -1.10 0.02 0.00 0.31 0.00 0.00 61.69 61.55 2k9f s THR 27 Cb -0.41 -2.11 0.08 0.00 0.01 0.00 0.00 72.50 70.07 2k9f s THR 27 CO 0.52 0.42 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.63 2k9f s LEU 28 N -1.19 3.30 -0.31 4.42 2.96 0.10 0.47 118.68 128.43 2k9f s LEU 28 Ca 0.13 -1.56 -0.18 0.00 -0.22 0.00 0.00 54.13 52.31 2k9f s LEU 28 Cb -0.10 -1.32 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 2k9f s LEU 28 CO 0.03 -0.30 0.50 -0.63 -1.32 0.00 0.00 176.35 174.63 2k9f s ILE 29 N 1.24 5.06 -0.22 6.68 1.01 0.49 -0.26 121.20 135.19 2k9f s ILE 29 Ca 0.01 0.58 -0.03 0.00 0.00 0.00 0.00 60.65 61.20 2k9f s ILE 29 Cb -0.19 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 2k9f s ILE 29 CO -0.09 -0.05 -0.06 -0.75 0.00 0.00 0.00 174.94 173.99 2k9f s LYS 30 N 2.32 3.34 0.21 2.79 2.20 0.50 -0.11 119.74 131.00 2k9f s LYS 30 Ca 0.19 -0.64 -0.14 0.00 -0.36 0.00 0.00 55.97 55.01 2k9f s LYS 30 Cb -0.16 -2.97 -0.08 0.00 -1.51 0.00 0.00 37.83 33.12 2k9f s LYS 30 CO 0.11 -0.20 0.62 -0.06 -0.36 0.00 0.00 175.35 175.46 2k9f s PHE 31 N 1.46 3.53 0.19 4.03 0.40 -0.32 -1.17 117.98 126.12 2k9f s PHE 31 Ca 0.06 1.11 -0.10 0.00 -0.60 0.00 0.00 56.93 57.39 2k9f s PHE 31 Cb -0.14 -2.42 -0.01 0.00 0.51 0.00 0.00 43.02 40.96 2k9f s PHE 31 CO -0.04 0.31 0.35 1.67 0.70 0.00 0.00 175.22 178.21 2k9f s TRP 32 N -1.65 0.40 -0.02 0.36 1.48 -1.23 -3.28 118.94 115.01 2k9f s TRP 32 Ca 0.44 -0.75 0.03 0.00 -1.06 0.00 0.00 56.10 54.76 2k9f s TRP 32 Cb -0.14 0.02 -0.03 0.00 -1.16 0.00 0.00 33.47 32.16 2k9f s TRP 32 CO 0.20 -0.81 -0.08 0.00 -4.06 0.00 0.00 176.95 172.20 2k9f s ALA 33 N -3.99 2.96 0.00 2.67 0.00 -1.26 -4.79 121.76 117.35 2k9f s ALA 33 Ca 0.20 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 2k9f s ALA 33 Cb 0.02 -1.12 -0.08 0.00 0.00 0.00 0.00 23.12 21.93 2k9f s ALA 33 CO 0.03 0.60 0.85 0.77 0.00 0.00 0.00 175.76 178.01 2k9f h SER 34 N 4.78 -0.45 -1.45 0.00 0.02 -2.02 -3.35 113.55 111.08 2k9f h SER 34 Ca -0.48 0.02 -0.76 0.00 -0.84 0.00 0.00 61.79 59.73 2k9f h SER 34 Cb 1.17 0.12 -0.16 0.00 0.14 0.00 0.00 62.40 63.67 2k9f h SER 34 CO 0.53 -0.21 2.05 -2.67 -1.14 0.00 0.00 176.83 175.40 2k9f n TRP 35 N -4.06 2.69 -4.41 3.45 4.27 -1.26 -4.80 117.44 113.32 2k9f n TRP 35 Ca -0.07 -2.77 -0.21 0.00 -3.89 0.00 0.00 57.50 50.57 2k9f n TRP 35 Cb 0.21 -1.78 -0.16 0.00 -1.36 0.00 0.00 31.31 28.23 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 6.40 0.05 -0.46 0.00 0.13 -1.94 -0.71 132.00 135.47 2k9f h PRO 37 Ca -0.33 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 2k9f h PRO 37 Cb 1.17 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2k9f h PRO 37 CO 0.49 0.26 0.19 -0.07 -0.23 0.00 0.00 178.00 178.63 2k9f h LEU 38 N -0.16 0.64 -1.28 1.56 3.38 -1.98 -2.51 115.31 114.96 2k9f h LEU 38 Ca 0.01 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 2k9f h LEU 38 Cb 0.23 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2k9f h LEU 38 CO 0.00 0.63 -0.28 0.00 0.09 0.00 0.00 178.44 178.88 2k9f h LEU 40 N 0.11 0.36 -0.53 0.00 5.85 -0.69 -0.80 115.31 119.61 2k9f h LEU 40 Ca 0.02 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.45 2k9f h LEU 40 Cb 0.56 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2k9f h LEU 40 CO 0.04 0.41 -0.32 0.28 -0.34 0.00 0.00 178.44 178.51 2k9f h SER 41 N 0.29 0.89 0.52 1.25 0.02 -1.34 -2.94 113.55 112.24 2k9f h SER 41 Ca 0.09 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 2k9f h SER 41 Cb 0.15 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 2k9f h SER 41 CO -0.01 1.13 -0.16 -0.08 -1.14 0.00 0.00 176.83 176.57 2k9f h GLU 42 N 0.71 0.00 -0.66 3.45 4.22 -1.17 -2.98 114.58 118.15 2k9f h GLU 42 Ca 0.07 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.59 2k9f h GLU 42 Cb 0.88 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.07 2k9f h GLU 42 CO 0.08 0.16 0.32 -0.07 -2.18 0.00 0.00 179.01 177.32 2k9f h LEU 43 N 0.00 0.42 -1.01 1.64 3.38 -0.95 0.23 115.31 119.02 2k9f h LEU 43 Ca -0.00 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 2k9f h LEU 43 Cb 0.47 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2k9f h LEU 43 CO 0.02 0.26 -0.29 1.23 0.09 0.00 0.00 178.44 179.74 2k9f h GLY 44 N 0.57 0.39 1.12 0.83 0.00 -1.67 -2.85 103.07 101.46 2k9f h GLY 44 Ca 0.31 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 2k9f h GLY 44 CO -0.24 0.29 -0.29 -1.61 0.00 0.00 0.00 176.54 174.69 2k9f h GLN 45 N 0.31 0.98 -0.43 4.80 4.15 -1.18 -2.18 115.11 121.57 2k9f h GLN 45 Ca 0.04 -0.46 0.06 0.00 0.77 0.00 0.00 58.65 59.07 2k9f h GLN 45 Cb 0.68 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.30 2k9f h GLN 45 CO 0.05 1.13 0.11 1.15 -1.93 0.00 0.00 178.83 179.34 2k9f h THR 46 N 0.83 0.81 -0.37 2.39 2.02 -0.40 0.20 112.91 118.39 2k9f h THR 46 Ca 0.09 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2k9f h THR 46 Cb 0.88 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2k9f h THR 46 CO 0.08 0.05 0.02 -0.08 0.37 0.00 0.00 175.52 175.96 2k9f h GLU 47 N 0.26 0.65 -0.53 6.66 4.81 -1.46 0.36 114.58 125.32 2k9f h GLU 47 Ca 0.21 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2k9f h GLU 47 Cb 0.24 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2k9f h GLU 47 CO -0.25 0.74 0.33 -0.22 -0.73 0.00 0.00 179.01 178.88 2k9f h LYS 48 N 0.47 0.72 -0.23 1.92 3.11 -0.82 -1.96 116.57 119.78 2k9f h LYS 48 Ca 0.11 -0.06 -0.17 0.00 -2.81 0.00 0.00 60.65 57.72 2k9f h LYS 48 Cb 0.43 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.50 2k9f h LYS 48 CO 0.01 0.51 -0.56 -1.49 -2.81 0.00 0.00 179.45 175.12 2k9f h TRP 49 N 0.72 0.88 0.00 1.91 4.06 -0.53 -2.92 115.95 120.07 2k9f h TRP 49 Ca 0.19 -0.32 -0.01 0.00 2.06 0.00 0.00 58.89 60.82 2k9f h TRP 49 Cb -0.03 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 27.96 2k9f h TRP 49 CO -0.03 1.10 -0.05 0.00 -3.56 0.00 0.00 178.44 175.90 2k9f h ALA 50 N 0.84 1.12 -0.00 1.49 0.00 -0.64 -1.02 119.26 121.05 2k9f h ALA 50 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k9f h ALA 50 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k9f h ALA 50 CO 0.11 0.06 -0.29 1.04 0.00 0.00 0.00 179.25 180.18 2k9f n GLN 51 N -3.33 0.52 -2.20 0.00 1.13 -0.76 -4.59 117.38 108.15 2k9f n GLN 51 Ca -0.01 -0.27 -0.41 0.00 -1.94 0.00 0.00 57.00 54.36 2k9f n GLN 51 Cb 0.21 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.03 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 -2.67 6.88 0.42 1.08 -1.08 -0.39 -4.91 116.67 116.01 2k9f s ASP 52 Ca 0.21 2.45 0.11 0.00 -0.52 0.00 0.00 52.55 54.80 2k9f s ASP 52 Cb 0.19 -2.62 0.97 0.00 -1.46 0.00 0.00 42.92 40.00 2k9f s ASP 52 CO 0.56 -0.52 2.00 0.00 0.52 0.00 0.00 175.17 177.74 2k9f h ALA 53 N 4.99 1.91 -0.12 3.66 0.00 -1.90 -1.21 119.26 126.59 2k9f h ALA 53 Ca -0.45 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.23 2k9f h ALA 53 Cb 1.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2k9f h ALA 53 CO 0.75 -0.01 -0.77 0.87 0.00 0.00 0.00 179.25 180.09 2k9f h LYS 54 N 0.47 0.62 0.00 0.00 1.79 -1.93 -3.06 116.57 114.47 2k9f h LYS 54 Ca 0.24 -0.51 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 2k9f h LYS 54 Cb 0.36 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2k9f h LYS 54 CO -0.07 1.13 0.00 1.19 -1.08 0.00 0.00 179.45 180.63 2k9f n PHE 55 N -3.89 0.06 1.56 -1.35 3.01 -0.70 -3.23 117.46 112.92 2k9f n PHE 55 Ca -0.06 0.02 0.06 0.00 1.01 0.00 0.00 57.45 58.48 2k9f n PHE 55 Cb 0.73 -0.53 0.34 0.00 -0.01 0.00 0.00 39.48 40.02 2k9f n PHE 55 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2k9f n SER 56 N -1.55 0.00 0.07 4.37 7.64 -0.54 -2.56 113.62 121.05 2k9f n SER 56 Ca 0.06 -1.20 0.12 0.00 1.01 0.00 0.00 58.87 58.86 2k9f n SER 56 Cb 0.32 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.71 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 -4.38 6.43 0.02 -1.74 -3.46 113.55 110.42 2k9f h SER 57 Ca 0.00 -0.17 -0.45 0.00 -0.84 0.00 0.00 61.79 60.33 2k9f h SER 57 Cb 0.00 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.31 2k9f h SER 57 CO 0.00 0.08 -0.79 0.00 -1.14 0.00 0.00 176.83 174.98 2k9f s ALA 58 N -3.17 1.29 -1.04 3.77 0.00 -1.06 -4.60 121.76 116.94 2k9f s ALA 58 Ca 0.07 -0.98 -0.21 0.00 0.00 0.00 0.00 51.96 50.84 2k9f s ALA 58 Cb 0.13 -0.16 0.08 0.00 0.00 0.00 0.00 23.12 23.17 2k9f s ALA 58 CO 0.70 0.22 1.41 -0.80 0.00 0.00 0.00 175.76 177.29 2k9f s ASN 59 N -1.54 6.61 -0.20 0.00 0.01 0.42 -4.88 114.94 115.35 2k9f s ASN 59 Ca 0.01 -1.81 -0.28 0.00 -0.71 0.00 0.00 52.86 50.07 2k9f s ASN 59 Cb -0.09 -2.52 -0.00 0.00 0.41 0.00 0.00 41.25 39.05 2k9f s ASN 59 CO 0.02 -1.31 0.97 -0.22 -1.51 0.00 0.00 177.10 175.04 2k9f s LEU 60 N 4.13 4.13 0.11 0.60 0.20 -1.26 0.00 118.68 126.59 2k9f s LEU 60 Ca 0.44 1.32 0.03 0.00 0.69 0.00 0.00 54.13 56.61 2k9f s LEU 60 Cb -0.01 -3.44 -0.04 0.00 -0.43 0.00 0.00 46.19 42.27 2k9f s LEU 60 CO -0.07 -0.56 -0.09 0.27 -0.29 0.00 0.00 176.35 175.61 2k9f s ILE 61 N 2.76 0.89 -0.25 6.68 -4.36 0.64 -4.87 121.20 122.69 2k9f s ILE 61 Ca 0.42 -1.80 -0.04 0.00 -0.26 0.00 0.00 60.65 58.97 2k9f s ILE 61 Cb -0.16 -1.54 0.00 0.00 1.25 0.00 0.00 42.46 42.02 2k9f s ILE 61 CO 0.09 -0.69 -0.02 0.42 0.24 0.00 0.00 174.94 174.98 2k9f s THR 62 N -2.97 3.40 0.01 8.37 -4.23 0.07 -0.37 115.64 119.93 2k9f s THR 62 Ca 0.09 -0.67 0.06 0.00 -1.18 0.00 0.00 61.69 59.99 2k9f s THR 62 Cb 0.01 -2.64 -0.03 0.00 1.34 0.00 0.00 72.50 71.17 2k9f s THR 62 CO -0.01 0.28 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.48 2k9f s VAL 63 N 1.45 2.80 0.01 2.29 1.01 -0.31 0.27 120.40 127.91 2k9f s VAL 63 Ca 0.04 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 2k9f s VAL 63 Cb -0.16 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 2k9f s VAL 63 CO -0.02 0.42 -0.01 0.00 0.00 0.00 0.00 175.10 175.50 2k9f s ALA 64 N -0.85 0.04 -0.49 5.51 0.00 -0.52 -3.47 121.76 121.99 2k9f s ALA 64 Ca 0.13 -0.36 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 2k9f s ALA 64 Cb -0.10 0.09 0.12 0.00 0.00 0.00 0.00 23.12 23.22 2k9f s ALA 64 CO 0.04 -0.11 0.39 -1.12 0.00 0.00 0.00 175.76 174.95 2k9f s SER 65 N -0.98 5.88 -0.04 0.00 0.01 -1.26 -0.10 113.70 117.22 2k9f s SER 65 Ca -0.11 -1.79 -0.30 0.00 1.31 0.00 0.00 55.95 55.07 2k9f s SER 65 Cb -0.07 -2.08 -0.07 0.00 0.21 0.00 0.00 66.02 64.01 2k9f s SER 65 CO -0.01 -0.73 1.88 -2.16 0.41 0.00 0.00 173.24 172.64 2k9f s PRO 66 N 1.46 4.01 0.00 12.44 0.04 -1.21 -1.56 135.00 150.19 2k9f s PRO 66 Ca 0.04 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2k9f s PRO 66 Cb -0.27 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.14 2k9f s PRO 66 CO 0.01 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.38 2k9f n GLY 67 N 4.58 1.37 3.88 0.56 0.00 -0.31 -3.95 105.19 111.31 2k9f n GLY 67 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.31 3.58 -1.75 1.61 5.36 -0.60 -4.22 117.98 119.65 2k9f s PHE 68 Ca 0.00 0.62 -0.00 0.00 -0.96 0.00 0.00 56.93 56.58 2k9f s PHE 68 Cb 0.00 -2.02 0.00 0.00 -0.34 0.00 0.00 43.02 40.66 2k9f s PHE 68 CO 0.00 0.60 0.05 1.28 -1.46 0.00 0.00 175.22 175.69 2k9f n LEU 69 N 1.13 -2.00 -0.99 6.12 7.99 -1.26 -1.63 117.00 126.36 2k9f n LEU 69 Ca -0.11 -0.04 -0.13 0.00 -0.01 0.00 0.00 56.01 55.72 2k9f n LEU 69 Cb 0.53 -2.91 -0.06 0.00 -0.11 0.00 0.00 43.42 40.87 2k9f n LEU 69 CO 0.41 -0.18 -0.12 1.57 -1.51 0.00 0.00 177.39 177.56 2k9f n HIS 70 N -4.06 0.00 -1.36 -1.77 -0.00 -1.26 -5.00 115.22 101.77 2k9f n HIS 70 Ca -0.23 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.32 2k9f n HIS 70 Cb 0.68 -2.43 0.12 0.00 -0.00 0.00 0.00 29.99 28.37 2k9f n HIS 70 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2k9f n GLU 71 N -2.35 -1.09 -1.98 1.57 -0.58 -0.64 -4.96 120.64 110.60 2k9f n GLU 71 Ca -0.13 -1.13 -0.42 0.00 -0.42 0.00 0.00 57.16 55.06 2k9f n GLU 71 Cb 0.46 -0.82 -0.03 0.00 -0.57 0.00 0.00 31.44 30.48 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 -4.60 4.23 0.91 3.49 -0.14 -1.26 -3.82 119.74 118.54 2k9f s LYS 72 Ca 0.42 2.29 -0.11 0.00 -1.36 0.00 0.00 55.97 57.21 2k9f s LYS 72 Cb -0.02 -3.36 0.14 0.00 -1.68 0.00 0.00 37.83 32.92 2k9f s LYS 72 CO 0.30 -0.63 1.10 0.21 -0.76 0.00 0.00 175.35 175.57 2k9f s LYS 73 N 1.77 1.11 0.13 1.68 2.20 -1.26 -1.17 119.74 124.20 2k9f s LYS 73 Ca 0.70 1.06 -0.31 0.00 -0.36 0.00 0.00 55.97 57.07 2k9f s LYS 73 Cb -0.41 -1.77 -0.11 0.00 -1.51 0.00 0.00 37.83 34.03 2k9f s LYS 73 CO 0.31 -2.41 1.84 -3.47 -0.36 0.00 0.00 175.35 171.26 2k9f n ASP 74 N -4.03 4.09 0.00 1.43 2.03 -1.26 -1.30 116.55 117.51 2k9f n ASP 74 Ca 0.08 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.38 2k9f n ASP 74 Cb 0.54 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 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 4.24 2.35 0.14 0.27 0.00 -1.26 -4.86 105.19 106.07 2k9f n GLY 75 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 2k9f n GLY 75 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k9f n ASP 76 N 0.00 2.47 0.07 1.61 -0.08 -0.42 -4.32 116.55 115.87 2k9f n ASP 76 Ca 0.00 -0.04 -0.13 0.00 -1.51 0.00 0.00 54.79 53.11 2k9f n ASP 76 Cb 0.00 -0.31 -0.08 0.00 2.34 0.00 0.00 41.12 43.08 2k9f n ASP 76 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2k9f h PHE 77 N -0.11 -0.10 0.00 -0.67 3.57 -1.69 -0.32 116.94 117.62 2k9f h PHE 77 Ca -0.38 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 2k9f h PHE 77 Cb 1.54 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.31 2k9f h PHE 77 CO 0.01 0.06 -0.12 -0.56 -2.23 0.00 0.00 178.31 175.46 2k9f h GLN 78 N -0.24 0.00 -0.00 1.11 -0.00 -1.86 -0.83 115.11 113.29 2k9f h GLN 78 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.47 2k9f h GLN 78 Cb 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.66 2k9f h GLN 78 CO 0.02 0.12 -0.79 0.87 -0.00 0.00 0.00 178.83 179.04 2k9f h LYS 79 N 0.00 0.05 0.00 0.06 1.79 -1.66 -2.57 116.57 114.25 2k9f h LYS 79 Ca -0.00 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2k9f h LYS 79 Cb 0.24 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 2k9f h LYS 79 CO 0.02 0.81 -0.00 2.35 -1.08 0.00 0.00 179.45 181.55 2k9f h TRP 80 N 0.03 -0.00 -0.00 -1.35 2.91 0.38 -2.85 115.95 115.06 2k9f h TRP 80 Ca -0.02 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.96 2k9f h TRP 80 Cb 1.40 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.04 2k9f h TRP 80 CO 0.01 0.26 -0.19 -0.92 -1.03 0.00 0.00 178.44 176.56 2k9f h TYR 81 N -0.27 0.00 0.00 2.65 3.20 -1.45 -1.86 116.97 119.24 2k9f h TYR 81 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2k9f h TYR 81 Cb 0.26 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 2k9f h TYR 81 CO 0.01 0.20 -0.05 0.00 -1.64 0.00 0.00 178.16 176.68 2k9f h ALA 82 N 1.80 1.33 -0.43 1.82 0.00 -1.22 -0.92 119.26 121.64 2k9f h ALA 82 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k9f h ALA 82 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k9f h ALA 82 CO 0.03 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.75 2k9f n GLY 83 N -0.96 2.20 3.88 0.00 0.00 -0.72 -4.99 105.19 104.60 2k9f n GLY 83 Ca -0.02 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 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 1.00 0.00 0.00 0.99 4.77 -0.35 -5.10 117.00 118.31 2k9f n LEU 84 Ca 0.16 -2.24 -0.18 0.00 -0.03 0.00 0.00 56.01 53.72 2k9f n LEU 84 Cb 0.50 -0.56 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 2k9f n LEU 84 CO 0.12 -0.89 0.37 -3.20 -1.33 0.00 0.00 177.39 172.46 2k9f n ASN 85 N -2.70 1.67 -2.34 -1.43 2.85 -1.26 -4.90 115.26 107.14 2k9f n ASN 85 Ca 0.16 -2.25 -0.03 0.00 -0.11 0.00 0.00 54.58 52.35 2k9f n ASN 85 Cb 0.59 -0.43 0.00 0.00 1.24 0.00 0.00 39.78 41.19 2k9f n ASN 85 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2k9f n TYR 86 N -2.26 -2.42 -0.26 1.20 4.01 -1.26 -4.87 117.16 111.29 2k9f n TYR 86 Ca 0.14 1.02 -0.02 0.00 -0.16 0.00 0.00 57.90 58.88 2k9f n TYR 86 Cb 0.52 -3.18 0.01 0.00 -0.31 0.00 0.00 39.34 36.38 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 -0.03 1.09 -0.88 -0.72 -0.04 -1.26 -3.22 135.00 129.94 2k9f n PRO 87 Ca 0.05 -0.18 -0.01 0.00 -0.04 0.00 0.00 63.50 63.32 2k9f n PRO 87 Cb 0.18 -1.07 -0.01 0.00 -0.04 0.00 0.00 33.50 32.56 2k9f n PRO 87 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2k9f n LYS 88 N 1.17 0.00 -3.26 0.54 0.00 -1.26 -5.09 118.16 110.27 2k9f n LYS 88 Ca 0.03 -1.01 -0.40 0.00 0.00 0.00 0.00 58.31 56.93 2k9f n LYS 88 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.48 2k9f n LYS 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2k9f s LEU 89 N 0.00 4.17 -1.10 3.14 1.43 -1.20 -4.97 118.68 120.15 2k9f s LEU 89 Ca 0.09 0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 53.30 2k9f s LEU 89 Cb 0.10 -2.60 -0.07 0.00 0.03 0.00 0.00 46.19 43.65 2k9f s LEU 89 CO -0.04 -0.35 2.17 -2.65 0.23 0.00 0.00 176.35 175.70 2k9f n PRO 90 N 5.60 2.26 -2.93 1.29 -0.02 -1.26 -4.91 135.00 135.04 2k9f n PRO 90 Ca -0.05 -2.04 -0.42 0.00 -2.02 0.00 0.00 63.50 58.98 2k9f n PRO 90 Cb 0.50 -2.93 -0.05 0.00 -0.02 0.00 0.00 33.50 31.00 2k9f n PRO 90 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2k9f s VAL 91 N 3.84 4.80 -0.06 -1.45 1.01 -1.24 -0.75 120.40 126.55 2k9f s VAL 91 Ca 0.52 1.29 -0.03 0.00 0.00 0.00 0.00 61.98 63.77 2k9f s VAL 91 Cb 0.14 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2k9f s VAL 91 CO 0.01 -0.21 0.09 -0.69 0.00 0.00 0.00 175.10 174.30 2k9f s VAL 92 N 2.94 4.94 -0.44 2.92 1.01 0.14 0.22 120.40 132.13 2k9f s VAL 92 Ca 0.33 -0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 2k9f s VAL 92 Cb -0.14 -3.19 0.06 0.00 0.00 0.00 0.00 36.38 33.11 2k9f s VAL 92 CO 0.11 0.50 0.34 -0.89 0.00 0.00 0.00 175.10 175.16 2k9f s THR 93 N -1.08 4.99 -0.85 3.92 2.01 0.04 -1.45 115.64 123.23 2k9f s THR 93 Ca 0.18 -1.04 -0.17 0.00 0.31 0.00 0.00 61.69 60.97 2k9f s THR 93 Cb -0.12 -3.94 0.16 0.00 0.01 0.00 0.00 72.50 68.60 2k9f s THR 93 CO 0.08 -0.49 0.96 -0.62 -0.69 0.00 0.00 174.62 173.86 2k9f s ASP 94 N 2.26 6.61 -0.20 3.53 2.15 0.86 -4.30 116.67 127.58 2k9f s ASP 94 Ca 0.04 -2.17 -0.29 0.00 0.43 0.00 0.00 52.55 50.56 2k9f s ASP 94 Cb -0.23 -2.33 -0.04 0.00 -0.30 0.00 0.00 42.92 40.03 2k9f s ASP 94 CO 0.06 -0.92 1.83 0.21 -0.17 0.00 0.00 175.17 176.18 2k9f s ASN 95 N 3.15 6.11 0.00 -0.34 3.84 -1.26 -2.43 114.94 124.00 2k9f s ASN 95 Ca 0.25 1.77 0.00 0.00 0.21 0.00 0.00 52.86 55.09 2k9f s ASN 95 Cb -0.09 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.08 2k9f s ASN 95 CO -0.07 -1.46 0.00 0.61 -2.79 0.00 0.00 177.10 173.39 2k9f n GLY 96 N 5.01 3.12 0.46 1.21 0.00 -1.25 -4.18 105.19 109.57 2k9f n GLY 96 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.07 0.78 0.29 -0.02 0.00 -1.02 -4.81 105.19 99.34 2k9f n GLY 97 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 1.13 0.07 2.61 2.02 -1.80 0.22 112.91 117.15 2k9f h THR 98 Ca 0.00 -0.38 -0.34 0.00 0.77 0.00 0.00 66.41 66.46 2k9f h THR 98 Cb 0.36 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 2k9f h THR 98 CO 0.00 0.15 -1.92 -0.38 0.37 0.00 0.00 175.52 173.74 2k9f n ILE 99 N -4.41 1.66 -0.17 3.11 2.08 -1.26 -3.67 119.36 116.70 2k9f n ILE 99 Ca 0.02 -0.46 -0.07 0.00 0.56 0.00 0.00 62.75 62.80 2k9f n ILE 99 Cb 0.12 -1.79 0.02 0.00 -0.75 0.00 0.00 39.64 37.25 2k9f n ILE 99 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k9f h ALA 100 N -0.17 0.63 -0.45 -1.39 0.00 -1.92 -2.28 119.26 113.67 2k9f h ALA 100 Ca -0.45 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 2k9f h ALA 100 Cb 1.79 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2k9f h ALA 100 CO -0.06 0.10 -0.19 0.37 0.00 0.00 0.00 179.25 179.47 2k9f h GLN 101 N 0.66 0.93 0.00 0.00 4.15 -0.76 0.13 115.11 120.23 2k9f h GLN 101 Ca 0.18 -0.40 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 2k9f h GLN 101 Cb -0.04 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 2k9f h GLN 101 CO -0.04 1.06 -0.07 0.77 -1.93 0.00 0.00 178.83 178.62 2k9f h SER 102 N 0.77 0.00 -0.23 -0.69 0.02 -1.58 -1.84 113.55 110.00 2k9f h SER 102 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2k9f h SER 102 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2k9f h SER 102 CO 0.06 0.07 0.00 0.18 -1.14 0.00 0.00 176.83 176.00 2k9f n LEU 103 N -3.31 2.65 -3.77 5.07 4.77 -0.87 -4.99 117.00 116.54 2k9f n LEU 103 Ca -0.01 -1.51 -0.22 0.00 -0.03 0.00 0.00 56.01 54.24 2k9f n LEU 103 Cb 0.25 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.21 2k9f n LEU 103 CO 0.27 0.59 -0.11 -3.20 -1.33 0.00 0.00 177.39 173.61 2k9f n ASN 104 N 0.76 -0.93 -4.60 -1.43 5.15 -0.40 -4.88 115.26 108.93 2k9f n ASN 104 Ca 0.11 -0.87 -0.43 0.00 -0.60 0.00 0.00 54.58 52.79 2k9f n ASN 104 Cb 0.41 -3.78 -0.02 0.00 -0.53 0.00 0.00 39.78 35.85 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 -3.75 3.89 -0.21 -1.44 1.01 0.33 -4.81 121.20 116.22 2k9f s ILE 105 Ca 0.00 0.89 0.05 0.00 0.00 0.00 0.00 60.65 61.59 2k9f s ILE 105 Cb -0.00 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 2k9f s ILE 105 CO 0.83 -0.82 0.20 -1.54 0.00 0.00 0.00 174.94 173.61 2k9f n SER 106 N 8.92 0.34 -3.79 3.58 3.41 -1.26 -4.89 113.62 119.93 2k9f n SER 106 Ca 0.16 -0.59 -0.13 0.00 -0.26 0.00 0.00 58.87 58.05 2k9f n SER 106 Cb 0.48 1.01 -0.11 0.00 -0.26 0.00 0.00 64.21 65.33 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 -1.47 0.01 0.15 -3.33 0.11 -1.26 -5.16 120.40 109.45 2k9f s VAL 107 Ca 0.02 -0.12 0.05 0.00 -2.93 0.00 0.00 61.98 59.00 2k9f s VAL 107 Cb 0.04 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 2k9f s VAL 107 CO 0.19 -0.07 0.08 -0.31 -3.33 0.00 0.00 175.10 171.67 2k9f s TYR 108 N -0.18 3.06 0.58 1.54 2.02 -1.26 -4.21 117.35 118.91 2k9f s TYR 108 Ca -0.03 -0.04 -0.11 0.00 -0.37 0.00 0.00 57.07 56.52 2k9f s TYR 108 Cb -0.03 -1.49 -0.05 0.00 -0.40 0.00 0.00 41.96 40.00 2k9f s TYR 108 CO 0.01 0.52 0.99 -2.14 -1.57 0.00 0.00 175.55 173.35 2k9f s PRO 109 N -2.93 3.64 -0.13 -1.71 0.02 -1.25 -4.77 135.00 127.87 2k9f s PRO 109 Ca 0.29 0.70 0.02 0.00 0.02 0.00 0.00 61.00 62.03 2k9f s PRO 109 Cb -0.10 -2.13 0.01 0.00 0.02 0.00 0.00 34.50 32.30 2k9f s PRO 109 CO 0.22 -0.47 -0.19 -1.12 -0.33 0.00 0.00 177.00 175.10 2k9f s SER 110 N -4.00 2.85 -0.41 2.53 0.01 -1.20 -0.88 113.70 112.60 2k9f s SER 110 Ca 0.54 -0.54 -0.07 0.00 1.31 0.00 0.00 55.95 57.19 2k9f s SER 110 Cb -0.11 -1.30 0.08 0.00 0.21 0.00 0.00 66.02 64.90 2k9f s SER 110 CO 0.49 0.04 0.23 0.26 0.41 0.00 0.00 173.24 174.67 2k9f s TRP 111 N 0.97 3.38 -0.34 2.43 0.52 0.15 -1.17 118.94 124.89 2k9f s TRP 111 Ca -0.05 -1.75 -0.13 0.00 0.02 0.00 0.00 56.10 54.19 2k9f s TRP 111 Cb -0.15 -2.95 -0.02 0.00 -1.15 0.00 0.00 33.47 29.20 2k9f s TRP 111 CO -0.03 -0.88 0.24 0.00 0.02 0.00 0.00 176.95 176.30 2k9f s ALA 112 N 1.35 3.50 -0.38 0.98 0.00 0.84 -0.94 121.76 127.11 2k9f s ALA 112 Ca 0.03 -1.38 -0.17 0.00 0.00 0.00 0.00 51.96 50.44 2k9f s ALA 112 Cb -0.23 -2.65 0.01 0.00 0.00 0.00 0.00 23.12 20.25 2k9f s ALA 112 CO 0.00 -0.96 0.45 -1.17 0.00 0.00 0.00 175.76 174.09 2k9f s LEU 113 N 1.72 4.59 -0.21 0.00 2.96 0.10 -0.38 118.68 127.47 2k9f s LEU 113 Ca 0.06 -0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 53.48 2k9f s LEU 113 Cb -0.17 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.02 2k9f s LEU 113 CO 0.10 -0.51 0.21 -0.63 -1.32 0.00 0.00 176.35 174.21 2k9f s ILE 114 N 2.23 5.34 1.12 6.68 1.09 0.18 0.04 121.20 137.87 2k9f s ILE 114 Ca 0.14 0.32 -0.15 0.00 -1.10 0.00 0.00 60.65 59.87 2k9f s ILE 114 Cb -0.16 -3.55 0.25 0.00 -1.06 0.00 0.00 42.46 37.94 2k9f s ILE 114 CO 0.13 0.36 1.06 -0.83 -0.10 0.00 0.00 174.94 175.57 2k9f s GLY 115 N 0.77 1.54 0.27 6.18 0.00 0.21 -0.70 107.32 115.60 2k9f s GLY 115 Ca 0.11 -0.46 0.22 0.00 0.00 0.00 0.00 44.72 44.58 2k9f s GLY 115 CO 0.03 0.27 1.66 0.58 0.00 0.00 0.00 173.10 175.64 2k9f n LYS 116 N -4.63 0.16 -0.02 2.90 2.85 -1.26 -1.35 118.16 116.80 2k9f n LYS 116 Ca 0.06 0.51 0.13 0.00 -1.05 0.00 0.00 58.31 57.96 2k9f n LYS 116 Cb 0.57 -1.88 0.37 0.00 -0.65 0.00 0.00 35.03 33.44 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 -2.20 2.05 -0.35 -5.58 9.92 -1.26 -4.30 116.55 114.83 2k9f n ASP 117 Ca 0.01 -1.69 0.00 0.00 -0.53 0.00 0.00 54.79 52.57 2k9f n ASP 117 Cb 0.14 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 2k9f n ASP 117 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k9f n GLY 118 N 1.24 0.86 3.09 0.44 0.00 -0.46 -5.08 105.19 105.29 2k9f n GLY 118 Ca 0.17 -0.66 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.91 1.24 -0.29 1.61 1.47 -1.25 -4.92 116.67 111.62 2k9f s ASP 119 Ca 0.00 -0.46 -0.29 0.00 1.18 0.00 0.00 52.55 52.98 2k9f s ASP 119 Cb 0.00 -0.04 -0.02 0.00 -0.34 0.00 0.00 42.92 42.52 2k9f s ASP 119 CO 0.00 -0.06 1.73 -0.69 0.68 0.00 0.00 175.17 176.84 2k9f s VAL 120 N -0.98 3.55 -0.18 2.11 1.01 -1.26 0.68 120.40 125.32 2k9f s VAL 120 Ca -0.03 0.58 0.06 0.00 0.00 0.00 0.00 61.98 62.59 2k9f s VAL 120 Cb -0.08 -3.67 -0.22 0.00 0.00 0.00 0.00 36.38 32.41 2k9f s VAL 120 CO 0.01 -0.39 0.11 1.67 0.00 0.00 0.00 175.10 176.51 2k9f n GLN 121 N 8.18 0.68 -3.93 2.72 7.27 0.11 -4.89 117.38 127.52 2k9f n GLN 121 Ca 0.21 0.15 -0.10 0.00 0.07 0.00 0.00 57.00 57.34 2k9f n GLN 121 Cb 0.46 -1.60 -0.10 0.00 2.41 0.00 0.00 30.24 31.41 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 -2.53 0.41 -0.13 3.69 6.06 -0.86 -5.01 118.95 120.58 2k9f s ARG 122 Ca -0.21 -0.52 -0.04 0.00 -2.50 0.00 0.00 55.73 52.46 2k9f s ARG 122 Cb 0.08 0.16 0.06 0.00 0.06 0.00 0.00 34.95 35.31 2k9f s ARG 122 CO 0.73 -0.09 0.19 -1.50 -2.50 0.00 0.00 175.30 172.13 2k9f s ILE 123 N -1.50 -0.29 -0.10 4.11 1.10 -1.26 0.02 121.20 123.29 2k9f s ILE 123 Ca -0.15 0.20 0.04 0.00 -0.51 0.00 0.00 60.65 60.23 2k9f s ILE 123 Cb -0.08 -0.43 -0.00 0.00 0.15 0.00 0.00 42.46 42.09 2k9f s ILE 123 CO 0.00 0.03 -0.23 -0.69 -2.11 0.00 0.00 174.94 171.94 2k9f s VAL 124 N 2.31 2.15 -0.43 4.00 1.01 -0.11 -4.99 120.40 124.34 2k9f s VAL 124 Ca 0.04 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 2k9f s VAL 124 Cb -0.13 -1.82 0.05 0.00 0.00 0.00 0.00 36.38 34.48 2k9f s VAL 124 CO -0.08 0.56 0.31 -0.54 0.00 0.00 0.00 175.10 175.35 2k9f s LYS 125 N 0.27 2.88 0.00 2.72 1.02 -1.26 -0.68 119.74 124.69 2k9f s LYS 125 Ca -0.16 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 54.59 2k9f s LYS 125 Cb -0.17 -3.96 0.00 0.00 -0.52 0.00 0.00 37.83 33.18 2k9f s LYS 125 CO 0.08 -0.89 0.00 0.41 -0.92 0.00 0.00 175.35 174.03 2k9f n GLY 126 N 5.11 0.51 3.38 -3.33 0.00 -0.05 -5.01 105.19 105.79 2k9f n GLY 126 Ca -0.12 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 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 3.32 0.53 1.61 0.01 -1.26 -3.77 113.70 110.13 2k9f s SER 127 Ca 0.00 -0.65 0.08 0.00 1.31 0.00 0.00 55.95 56.69 2k9f s SER 127 Cb 0.00 -0.30 0.05 0.00 0.21 0.00 0.00 66.02 65.98 2k9f s SER 127 CO 0.00 0.22 0.57 0.27 0.41 0.00 0.00 173.24 174.71 2k9f s ILE 128 N -0.95 2.11 0.25 1.44 -4.36 -1.26 -5.15 121.20 113.28 2k9f s ILE 128 Ca 0.13 -1.24 -0.06 0.00 -0.26 0.00 0.00 60.65 59.22 2k9f s ILE 128 Cb -0.10 -2.34 -0.02 0.00 1.25 0.00 0.00 42.46 41.25 2k9f s ILE 128 CO 0.04 0.00 0.35 0.54 0.24 0.00 0.00 174.94 176.11 2k9f s ASN 129 N -4.42 0.22 0.12 4.36 2.20 -1.26 -5.05 114.94 111.12 2k9f s ASN 129 Ca 0.49 -1.21 -0.18 0.00 -0.94 0.00 0.00 52.86 51.02 2k9f s ASN 129 Cb -0.04 0.52 -0.04 0.00 -2.00 0.00 0.00 41.25 39.69 2k9f s ASN 129 CO 0.30 -1.06 1.73 -0.08 -2.94 0.00 0.00 177.10 175.05 2k9f h GLU 130 N 2.36 0.40 -0.94 3.55 4.81 -2.01 -0.63 114.58 122.11 2k9f h GLU 130 Ca -0.30 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.90 2k9f h GLU 130 Cb 1.25 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 2k9f h GLU 130 CO 0.42 0.34 0.62 0.00 -0.73 0.00 0.00 179.01 179.67 2k9f h ALA 131 N 1.03 1.21 -0.53 2.92 0.00 -1.99 -1.00 119.26 120.90 2k9f h ALA 131 Ca 0.10 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2k9f h ALA 131 Cb 0.06 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2k9f h ALA 131 CO -0.02 0.57 -0.09 0.37 0.00 0.00 0.00 179.25 180.08 2k9f h GLN 132 N 1.26 0.98 -0.64 0.00 4.15 -1.87 -1.76 115.11 117.22 2k9f h GLN 132 Ca 0.35 -0.34 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 2k9f h GLN 132 Cb -0.11 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.48 2k9f h GLN 132 CO -0.09 1.01 0.35 0.00 -1.93 0.00 0.00 178.83 178.18 2k9f h ALA 133 N 1.01 0.83 -0.46 3.38 0.00 -0.39 -0.48 119.26 123.15 2k9f h ALA 133 Ca 0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2k9f h ALA 133 Cb 0.63 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2k9f h ALA 133 CO 0.04 0.35 0.08 -0.07 0.00 0.00 0.00 179.25 179.65 2k9f h LEU 134 N 0.88 0.65 -0.64 0.00 3.38 -0.98 -1.72 115.31 116.89 2k9f h LEU 134 Ca 0.23 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 2k9f h LEU 134 Cb 0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2k9f h LEU 134 CO -0.04 0.67 -0.07 0.00 0.09 0.00 0.00 178.44 179.09 2k9f h ALA 135 N 1.42 0.84 -0.46 1.53 0.00 -0.58 -2.45 119.26 119.56 2k9f h ALA 135 Ca 0.15 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2k9f h ALA 135 Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k9f h ALA 135 CO 0.00 0.66 0.04 1.25 0.00 0.00 0.00 179.25 181.20 2k9f h LEU 136 N 0.89 0.69 -1.32 0.00 5.85 -0.56 0.34 115.31 121.20 2k9f h LEU 136 Ca 0.15 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2k9f h LEU 136 Cb 0.62 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2k9f h LEU 136 CO 0.04 0.73 -0.34 0.40 -0.34 0.00 0.00 178.44 178.94 2k9f h ILE 137 N 0.70 1.19 0.00 4.05 2.04 -1.02 -3.19 117.51 121.27 2k9f h ILE 137 Ca 0.15 -1.17 -0.08 0.00 1.00 0.00 0.00 64.86 64.76 2k9f h ILE 137 Cb 0.37 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2k9f h ILE 137 CO 0.01 0.33 -0.42 0.03 0.00 0.00 0.00 178.15 178.09 2k9f h ARG 138 N 0.00 0.00 -3.03 2.37 3.08 -0.87 -3.47 114.38 112.47 2k9f h ARG 138 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 2k9f h ARG 138 Cb 0.61 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.32 2k9f h ARG 138 CO 0.04 0.97 -0.60 0.34 -1.07 0.00 0.00 179.97 179.65 2k9f s ASP 139 N -6.41 0.58 0.00 7.04 -1.08 0.11 -5.02 116.67 111.90 2k9f s ASP 139 Ca -0.22 0.41 0.17 0.00 -0.52 0.00 0.00 52.55 52.39 2k9f s ASP 139 Cb 0.00 0.39 0.84 0.00 -1.46 0.00 0.00 42.92 42.69 2k9f s ASP 139 CO 0.64 -0.24 1.50 -2.65 0.52 0.00 0.00 175.17 174.94 2k9f n PRO 140 N 5.26 0.21 0.00 4.34 -0.02 -1.23 -2.17 135.00 141.38 2k9f n PRO 140 Ca -0.06 0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.68 2k9f n PRO 140 Cb 0.50 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.75 2k9f n PRO 140 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2k9f n ASN 141 N -1.31 1.67 -4.02 2.55 3.02 -1.26 -4.65 115.26 111.25 2k9f n ASN 141 Ca 0.07 -1.34 -0.42 0.00 -0.03 0.00 0.00 54.58 52.86 2k9f n ASN 141 Cb 0.14 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 2k9f n ASN 141 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k9f n ALA 142 N -0.02 4.86 -1.65 5.41 0.00 -0.92 -4.96 120.51 123.23 2k9f n ALA 142 Ca 0.13 -3.88 -0.32 0.00 0.00 0.00 0.00 53.44 49.37 2k9f n ALA 142 Cb 0.42 -3.56 0.02 0.00 0.00 0.00 0.00 19.45 16.33 2k9f n ALA 142 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k9f s ASP 143 N 3.53 5.71 0.00 0.00 -1.08 -1.26 -4.77 116.67 118.79 2k9f s ASP 143 Ca 0.49 1.79 0.00 0.00 -0.52 0.00 0.00 52.55 54.32 2k9f s ASP 143 Cb 0.10 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 2k9f s ASP 143 CO -0.03 -1.22 0.00 0.18 0.52 0.00 0.00 175.17 174.62