#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 0.49 0.25 1.12 0.24 -1.26 -4.95 118.33 114.22 2k9f n VAL 2 Ca 0.00 -4.50 0.08 0.00 -2.04 0.00 0.00 64.34 57.88 2k9f n VAL 2 Cb 0.00 -1.93 0.63 0.00 -1.47 0.00 0.00 33.84 31.07 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 3.99 0.02 -0.86 7.34 0.13 -2.01 -2.21 132.00 138.40 2k9f h PRO 3 Ca 0.12 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.23 2k9f h PRO 3 Cb 0.80 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.88 2k9f h PRO 3 CO 0.60 0.02 0.46 1.12 -0.23 0.00 0.00 178.00 179.97 2k9f h HIS 4 N 0.02 1.19 -0.24 1.56 2.07 -1.98 -0.34 115.15 117.44 2k9f h HIS 4 Ca 0.00 -0.03 -0.17 0.00 -2.85 0.00 0.00 60.37 57.32 2k9f h HIS 4 Cb 0.01 -0.38 -0.00 0.00 2.57 0.00 0.00 27.41 29.60 2k9f h HIS 4 CO 0.00 0.83 -0.53 1.15 -3.07 0.00 0.00 177.93 176.31 2k9f h THR 5 N 1.21 1.30 -0.08 6.12 2.02 -1.83 0.69 112.91 122.34 2k9f h THR 5 Ca 0.30 -1.75 -0.06 0.00 0.77 0.00 0.00 66.41 65.68 2k9f h THR 5 Cb 0.05 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2k9f h THR 5 CO -0.05 0.56 -0.21 0.25 0.37 0.00 0.00 175.52 176.44 2k9f h LEU 6 N 0.53 0.12 0.00 2.58 5.85 -1.20 -1.99 115.31 121.21 2k9f h LEU 6 Ca 0.01 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 2k9f h LEU 6 Cb 1.10 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2k9f h LEU 6 CO 0.11 0.34 -0.90 0.28 -0.34 0.00 0.00 178.44 177.94 2k9f h SER 7 N 0.12 0.00 0.41 1.25 0.02 -0.80 -3.27 113.55 111.28 2k9f h SER 7 Ca 0.02 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 2k9f h SER 7 Cb 0.44 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2k9f h SER 7 CO 0.03 0.48 -0.30 0.74 -1.14 0.00 0.00 176.83 176.65 2k9f h THR 8 N 0.00 1.06 -1.81 -2.27 2.02 -0.12 -3.39 112.91 108.40 2k9f h THR 8 Ca -0.07 -1.07 -0.61 0.00 0.77 0.00 0.00 66.41 65.43 2k9f h THR 8 Cb 1.43 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 2k9f h THR 8 CO 0.05 0.29 1.39 0.18 0.37 0.00 0.00 175.52 177.81 2k9f n LEU 9 N -3.96 3.11 -4.72 2.58 4.77 -1.00 -4.91 117.00 112.87 2k9f n LEU 9 Ca -0.02 0.43 -0.35 0.00 -0.03 0.00 0.00 56.01 56.04 2k9f n LEU 9 Cb 0.36 -1.46 -0.09 0.00 -2.33 0.00 0.00 43.42 39.91 2k9f n LEU 9 CO 0.36 -0.52 -0.27 -0.54 -1.33 0.00 0.00 177.39 175.10 2k9f s LYS 10 N 5.81 3.20 0.83 3.23 3.01 -1.25 -0.60 119.74 133.96 2k9f s LYS 10 Ca 1.01 -0.34 -0.12 0.00 -1.01 0.00 0.00 55.97 55.51 2k9f s LYS 10 Cb -0.52 -2.93 0.09 0.00 -1.01 0.00 0.00 37.83 33.46 2k9f s LYS 10 CO 0.42 0.67 1.14 0.95 0.51 0.00 0.00 175.35 179.05 2k9f s THR 11 N -0.78 2.30 -1.19 2.17 -4.23 0.63 -0.73 115.64 113.81 2k9f s THR 11 Ca 0.12 0.10 0.14 0.00 -1.18 0.00 0.00 61.69 60.87 2k9f s THR 11 Cb -0.12 -2.97 0.17 0.00 1.34 0.00 0.00 72.50 70.92 2k9f s THR 11 CO 0.03 -0.13 1.41 0.00 -0.54 0.00 0.00 174.62 175.38 2k9f n ALA 12 N -3.46 1.70 1.28 3.99 0.00 0.79 -0.80 120.51 124.00 2k9f n ALA 12 Ca 0.07 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.58 2k9f n ALA 12 Cb 0.59 -1.22 0.41 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.40 1.78 -1.32 0.00 2.03 -1.26 -4.91 116.55 111.47 2k9f n ASP 13 Ca 0.05 -1.65 -0.11 0.00 0.52 0.00 0.00 54.79 53.59 2k9f n ASP 13 Cb 0.14 -0.06 -0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 0.39 -3.69 -4.31 1.67 5.15 0.02 -5.03 115.26 109.46 2k9f n ASN 14 Ca 0.17 -0.02 -0.32 0.00 -0.60 0.00 0.00 54.58 53.82 2k9f n ASN 14 Cb 0.37 -2.91 -0.16 0.00 -0.53 0.00 0.00 39.78 36.56 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 -4.60 2.43 0.49 1.20 0.52 -1.25 -4.88 118.95 112.86 2k9f s ARG 15 Ca 0.01 -0.88 -0.23 0.00 -0.52 0.00 0.00 55.73 54.10 2k9f s ARG 15 Cb -0.00 -2.16 -0.07 0.00 0.52 0.00 0.00 34.95 33.24 2k9f s ARG 15 CO 0.01 0.46 1.35 -2.14 0.02 0.00 0.00 175.30 175.00 2k9f s PRO 16 N -0.36 3.48 0.00 3.54 0.02 -1.26 -0.27 135.00 140.15 2k9f s PRO 16 Ca 0.02 2.23 0.06 0.00 0.02 0.00 0.00 61.00 63.33 2k9f s PRO 16 Cb -0.12 -2.46 0.25 0.00 0.02 0.00 0.00 34.50 32.19 2k9f s PRO 16 CO 0.02 -0.92 1.18 0.00 -0.33 0.00 0.00 177.00 176.95 2k9f n ALA 17 N -0.57 1.27 0.29 -1.55 0.00 0.23 -2.75 120.51 117.42 2k9f n ALA 17 Ca 0.08 -0.02 0.18 0.00 0.00 0.00 0.00 53.44 53.68 2k9f n ALA 17 Cb 0.44 -1.09 0.94 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 0.38 0.00 0.02 -1.83 0.20 113.55 112.31 2k9f h SER 18 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 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 -0.11 -0.37 -1.14 0.00 0.00 176.83 175.21 2k9f h VAL 19 N 0.00 0.54 -0.03 2.27 -1.51 -1.90 -2.05 116.25 113.56 2k9f h VAL 19 Ca 0.03 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2k9f h VAL 19 Cb 0.45 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2k9f h VAL 19 CO -0.00 0.11 0.00 -1.22 -1.23 0.00 0.00 177.57 175.23 2k9f n TYR 20 N -3.62 0.09 -2.34 5.19 4.01 0.02 -4.62 117.16 115.89 2k9f n TYR 20 Ca -0.02 -0.86 -0.19 0.00 -0.16 0.00 0.00 57.90 56.67 2k9f n TYR 20 Cb 0.24 -0.14 0.02 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.09 3.98 0.00 7.72 4.77 -0.77 -4.82 117.00 126.79 2k9f n LEU 21 Ca 0.13 -4.49 -0.18 0.00 -0.03 0.00 0.00 56.01 51.44 2k9f n LEU 21 Cb 0.56 -0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 2k9f n LEU 21 CO 0.02 1.91 -0.04 0.29 -1.33 0.00 0.00 177.39 178.24 2k9f n LYS 22 N -0.57 0.45 -0.88 3.23 5.02 -1.24 -4.87 118.16 119.30 2k9f n LYS 22 Ca 0.33 -3.11 0.00 0.00 -2.02 0.00 0.00 58.31 53.51 2k9f n LYS 22 Cb 0.84 2.63 0.00 0.00 -0.02 0.00 0.00 35.03 38.48 2k9f n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k9f n LYS 23 N -0.60 -0.27 -3.74 1.97 5.02 -1.26 -3.62 118.16 115.66 2k9f n LYS 23 Ca 0.06 0.07 -0.23 0.00 -2.02 0.00 0.00 58.31 56.19 2k9f n LYS 23 Cb 0.58 -3.43 0.03 0.00 -0.02 0.00 0.00 35.03 32.19 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 -0.14 -2.01 -4.49 4.39 8.00 -1.26 -5.00 116.55 116.05 2k9f n ASP 24 Ca 0.00 -0.80 -0.29 0.00 0.71 0.00 0.00 54.79 54.40 2k9f n ASP 24 Cb 0.07 -4.06 -0.11 0.00 -0.02 0.00 0.00 41.12 37.00 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 -6.11 1.77 0.09 -1.24 1.02 -1.24 -4.66 119.74 109.38 2k9f s LYS 25 Ca 0.15 -1.19 -0.34 0.00 0.02 0.00 0.00 55.97 54.61 2k9f s LYS 25 Cb -0.07 -2.11 -0.13 0.00 -0.52 0.00 0.00 37.83 35.00 2k9f s LYS 25 CO 0.81 0.48 1.64 -0.35 -0.92 0.00 0.00 175.35 177.01 2k9f n PRO 26 N 0.78 2.09 -3.99 -1.68 -0.04 -1.26 -4.58 135.00 126.32 2k9f n PRO 26 Ca -0.16 0.76 -0.36 0.00 -0.04 0.00 0.00 63.50 63.70 2k9f n PRO 26 Cb 0.53 -2.54 -0.08 0.00 -0.04 0.00 0.00 33.50 31.37 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 1.71 5.12 -0.30 0.52 2.01 -0.60 -0.96 115.64 123.14 2k9f s THR 27 Ca 0.83 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.92 2k9f s THR 27 Cb -0.70 -3.24 0.07 0.00 0.01 0.00 0.00 72.50 68.64 2k9f s THR 27 CO 0.42 0.57 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.68 2k9f s LEU 28 N -0.59 4.07 -0.24 4.42 2.96 0.13 0.39 118.68 129.81 2k9f s LEU 28 Ca 0.12 -1.67 -0.13 0.00 -0.22 0.00 0.00 54.13 52.23 2k9f s LEU 28 Cb -0.12 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 2k9f s LEU 28 CO 0.02 -0.29 0.28 -0.63 -1.32 0.00 0.00 176.35 174.42 2k9f s ILE 29 N 1.06 5.26 -0.15 6.68 1.01 -0.18 -0.48 121.20 134.40 2k9f s ILE 29 Ca -0.01 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.06 2k9f s ILE 29 Cb -0.20 -3.62 -0.00 0.00 0.01 0.00 0.00 42.46 38.65 2k9f s ILE 29 CO -0.05 0.26 -0.15 -0.75 0.00 0.00 0.00 174.94 174.25 2k9f s LYS 30 N 1.46 3.24 0.03 2.79 2.20 0.28 0.07 119.74 129.81 2k9f s LYS 30 Ca 0.12 -0.74 -0.08 0.00 -0.36 0.00 0.00 55.97 54.92 2k9f s LYS 30 Cb -0.15 -2.63 -0.05 0.00 -1.51 0.00 0.00 37.83 33.49 2k9f s LYS 30 CO 0.08 0.04 0.32 -0.06 -0.36 0.00 0.00 175.35 175.36 2k9f s PHE 31 N 0.76 3.58 0.18 4.03 0.40 -0.38 -0.64 117.98 125.91 2k9f s PHE 31 Ca -0.06 0.65 -0.07 0.00 -0.60 0.00 0.00 56.93 56.85 2k9f s PHE 31 Cb -0.15 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.31 2k9f s PHE 31 CO 0.01 0.58 0.25 1.67 0.70 0.00 0.00 175.22 178.43 2k9f s TRP 32 N -1.34 0.61 0.00 0.36 1.48 -1.24 -3.37 118.94 115.44 2k9f s TRP 32 Ca 0.30 -0.94 0.03 0.00 -1.06 0.00 0.00 56.10 54.42 2k9f s TRP 32 Cb -0.13 -0.18 -0.03 0.00 -1.16 0.00 0.00 33.47 31.97 2k9f s TRP 32 CO 0.17 -0.72 -0.06 0.00 -4.06 0.00 0.00 176.95 172.28 2k9f s ALA 33 N -4.02 3.05 -0.03 2.67 0.00 -1.26 -4.82 121.76 117.35 2k9f s ALA 33 Ca 0.23 -1.01 -0.24 0.00 0.00 0.00 0.00 51.96 50.94 2k9f s ALA 33 Cb 0.04 -1.16 -0.18 0.00 0.00 0.00 0.00 23.12 21.82 2k9f s ALA 33 CO 0.04 0.62 1.11 0.77 0.00 0.00 0.00 175.76 178.30 2k9f h SER 34 N 4.49 -0.14 -0.81 0.00 0.02 -2.01 -3.27 113.55 111.83 2k9f h SER 34 Ca -0.48 -0.39 -0.44 0.00 -0.84 0.00 0.00 61.79 59.64 2k9f h SER 34 Cb 1.17 0.04 -0.17 0.00 0.14 0.00 0.00 62.40 63.58 2k9f h SER 34 CO 0.54 0.36 0.44 0.79 -1.14 0.00 0.00 176.83 177.83 2k9f n TRP 35 N -4.93 1.69 -4.11 3.45 8.01 -1.26 -4.86 117.44 115.43 2k9f n TRP 35 Ca -0.08 -2.03 -0.33 0.00 -1.31 0.00 0.00 57.50 53.75 2k9f n TRP 35 Cb 0.26 -1.20 -0.16 0.00 -2.01 0.00 0.00 31.31 28.21 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 7.94 1.00 -0.30 0.00 0.13 -1.91 -0.85 132.00 138.00 2k9f h PRO 37 Ca -0.45 -0.17 -0.05 0.00 -0.87 0.00 0.00 66.00 64.46 2k9f h PRO 37 Cb 1.14 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 2k9f h PRO 37 CO 0.63 0.82 -0.01 -0.07 -0.23 0.00 0.00 178.00 179.14 2k9f h LEU 38 N 0.98 0.53 -0.99 1.56 4.07 -1.97 -2.86 115.31 116.63 2k9f h LEU 38 Ca 0.23 -0.32 -0.06 0.00 0.08 0.00 0.00 57.88 57.81 2k9f h LEU 38 Cb 0.20 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 2k9f h LEU 38 CO -0.02 0.73 -0.29 0.00 -1.08 0.00 0.00 178.44 177.78 2k9f h LEU 40 N 0.00 -0.56 -1.08 0.00 7.12 -0.93 -1.07 115.31 118.80 2k9f h LEU 40 Ca -0.00 -0.03 -0.08 0.00 0.13 0.00 0.00 57.88 57.90 2k9f h LEU 40 Cb 0.83 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 41.09 2k9f h LEU 40 CO 0.04 -0.33 -0.18 0.28 -0.13 0.00 0.00 178.44 178.12 2k9f h SER 41 N -0.75 0.43 0.31 1.25 0.02 -1.58 -2.53 113.55 110.69 2k9f h SER 41 Ca -0.07 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 2k9f h SER 41 Cb 0.55 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2k9f h SER 41 CO 0.11 0.63 -0.20 -0.08 -1.14 0.00 0.00 176.83 176.15 2k9f h GLU 42 N 0.40 0.00 -0.96 3.45 4.22 -1.32 -2.65 114.58 117.73 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 0.54 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.72 2k9f h GLU 42 CO 0.04 0.20 0.60 -0.07 -2.18 0.00 0.00 179.01 177.60 2k9f h LEU 43 N 0.00 0.93 -1.04 1.64 3.38 -0.74 0.11 115.31 119.60 2k9f h LEU 43 Ca -0.00 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2k9f h LEU 43 Cb 0.41 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2k9f h LEU 43 CO 0.03 0.57 -0.33 1.23 0.09 0.00 0.00 178.44 180.02 2k9f h GLY 44 N 1.05 0.29 1.44 0.83 0.00 -1.60 -2.37 103.07 102.71 2k9f h GLY 44 Ca 0.43 -0.25 -0.17 0.00 0.00 0.00 0.00 47.33 47.35 2k9f h GLY 44 CO -0.20 0.22 -0.58 -1.61 0.00 0.00 0.00 176.54 174.37 2k9f h GLN 45 N 0.23 0.58 -0.21 4.80 4.15 -1.05 -1.68 115.11 121.93 2k9f h GLN 45 Ca 0.03 -0.38 -0.00 0.00 0.77 0.00 0.00 58.65 59.06 2k9f h GLN 45 Cb 0.70 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 2k9f h GLN 45 CO 0.05 1.00 0.12 1.15 -1.93 0.00 0.00 178.83 179.22 2k9f h THR 46 N 0.44 1.10 -0.54 2.39 2.02 -0.53 -0.84 112.91 116.96 2k9f h THR 46 Ca 0.00 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 2k9f h THR 46 Cb 1.14 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 2k9f h THR 46 CO 0.11 0.10 0.06 -0.08 0.37 0.00 0.00 175.52 176.08 2k9f h GLU 47 N 0.24 0.87 -0.38 6.66 4.81 -1.40 -1.41 114.58 123.97 2k9f h GLU 47 Ca 0.08 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2k9f h GLU 47 Cb 0.05 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 2k9f h GLU 47 CO -0.01 0.83 0.25 -0.22 -0.73 0.00 0.00 179.01 179.13 2k9f h LYS 48 N 0.82 0.51 -0.15 1.92 3.64 -0.92 -2.16 116.57 120.22 2k9f h LYS 48 Ca 0.17 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 2k9f h LYS 48 Cb 0.40 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2k9f h LYS 48 CO 0.01 0.34 -0.25 -1.49 -2.27 0.00 0.00 179.45 175.79 2k9f h TRP 49 N 0.52 0.30 0.00 1.91 6.55 -0.88 -1.96 115.95 122.39 2k9f h TRP 49 Ca 0.14 -0.05 0.00 0.00 0.95 0.00 0.00 58.89 59.93 2k9f h TRP 49 Cb -0.05 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 28.17 2k9f h TRP 49 CO -0.05 0.51 0.00 0.00 -1.05 0.00 0.00 178.44 177.85 2k9f h ALA 50 N 1.50 1.00 -0.02 1.49 0.00 -0.62 -0.73 119.26 121.88 2k9f h ALA 50 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k9f h ALA 50 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k9f h ALA 50 CO 0.04 0.00 -0.34 1.04 0.00 0.00 0.00 179.25 179.99 2k9f n GLN 51 N -2.47 1.46 -2.88 0.00 1.13 -0.75 -4.70 117.38 109.17 2k9f n GLN 51 Ca 0.00 -1.19 -0.35 0.00 -1.94 0.00 0.00 57.00 53.52 2k9f n GLN 51 Cb 0.18 -1.48 -0.07 0.00 0.11 0.00 0.00 30.24 28.99 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 -2.36 7.08 0.41 1.08 -1.08 -0.28 -4.96 116.67 116.56 2k9f s ASP 52 Ca 0.21 1.66 0.12 0.00 -0.52 0.00 0.00 52.55 54.02 2k9f s ASP 52 Cb 0.19 -2.52 0.86 0.00 -1.46 0.00 0.00 42.92 39.99 2k9f s ASP 52 CO 0.50 -0.18 1.94 0.00 0.52 0.00 0.00 175.17 177.95 2k9f h ALA 53 N 2.63 1.57 0.10 3.66 0.00 -1.92 -1.31 119.26 123.98 2k9f h ALA 53 Ca -0.48 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 2k9f h ALA 53 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k9f h ALA 53 CO 0.64 0.32 -0.05 0.87 0.00 0.00 0.00 179.25 181.02 2k9f h LYS 54 N 0.13 -0.13 0.00 0.00 1.79 -1.93 -2.94 116.57 113.48 2k9f h LYS 54 Ca 0.02 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2k9f h LYS 54 Cb 0.38 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2k9f h LYS 54 CO 0.02 0.19 0.00 1.19 -1.08 0.00 0.00 179.45 179.78 2k9f n PHE 55 N -5.00 0.05 0.99 -1.35 3.01 -1.15 -2.49 117.46 111.52 2k9f n PHE 55 Ca -0.09 0.02 0.11 0.00 1.01 0.00 0.00 57.45 58.50 2k9f n PHE 55 Cb 0.21 -0.53 0.56 0.00 -0.01 0.00 0.00 39.48 39.71 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 0.00 -0.69 4.37 2.88 -0.51 -2.20 113.62 115.94 2k9f n SER 56 Ca 0.05 0.16 0.11 0.00 -1.33 0.00 0.00 58.87 57.86 2k9f n SER 56 Cb 0.27 -0.37 0.33 0.00 -0.75 0.00 0.00 64.21 63.69 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 -1.37 2.06 -3.89 -3.46 7.64 -1.04 -4.90 113.62 108.66 2k9f n SER 57 Ca 0.09 -1.78 -0.14 0.00 1.01 0.00 0.00 58.87 58.04 2k9f n SER 57 Cb 0.22 -0.14 -0.09 0.00 -1.01 0.00 0.00 64.21 63.19 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 -1.73 1.32 -0.74 -0.43 0.00 -0.94 -4.75 121.76 114.50 2k9f s ALA 58 Ca 0.33 -1.78 -0.08 0.00 0.00 0.00 0.00 51.96 50.43 2k9f s ALA 58 Cb 0.18 1.40 0.19 0.00 0.00 0.00 0.00 23.12 24.90 2k9f s ALA 58 CO 0.27 -0.63 0.62 -0.80 0.00 0.00 0.00 175.76 175.22 2k9f s ASN 59 N -3.23 6.00 -0.13 0.00 0.01 -0.13 -4.99 114.94 112.47 2k9f s ASN 59 Ca 0.39 -2.86 -0.21 0.00 -0.71 0.00 0.00 52.86 49.46 2k9f s ASN 59 Cb 0.05 -2.02 -0.03 0.00 0.41 0.00 0.00 41.25 39.66 2k9f s ASN 59 CO 0.17 -0.44 0.64 -0.22 -1.51 0.00 0.00 177.10 175.74 2k9f s LEU 60 N -0.08 4.23 0.02 0.60 0.20 -1.26 0.19 118.68 122.58 2k9f s LEU 60 Ca 0.18 0.97 -0.04 0.00 0.69 0.00 0.00 54.13 55.94 2k9f s LEU 60 Cb -0.15 -2.94 -0.01 0.00 -0.43 0.00 0.00 46.19 42.66 2k9f s LEU 60 CO -0.06 -0.17 0.05 0.27 -0.29 0.00 0.00 176.35 176.14 2k9f s ILE 61 N 1.29 0.12 -0.19 6.68 -4.36 0.37 -4.90 121.20 120.20 2k9f s ILE 61 Ca 0.32 -0.99 -0.06 0.00 -0.26 0.00 0.00 60.65 59.66 2k9f s ILE 61 Cb -0.16 -0.60 -0.03 0.00 1.25 0.00 0.00 42.46 42.92 2k9f s ILE 61 CO 0.13 -0.54 0.02 0.42 0.24 0.00 0.00 174.94 175.21 2k9f s THR 62 N -1.99 4.20 0.01 8.37 -4.23 -0.11 -0.56 115.64 121.33 2k9f s THR 62 Ca -0.10 -0.23 0.08 0.00 -1.18 0.00 0.00 61.69 60.25 2k9f s THR 62 Cb -0.05 -2.90 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 2k9f s THR 62 CO -0.02 0.43 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.57 2k9f s VAL 63 N 0.81 1.88 0.06 2.29 1.01 0.19 0.65 120.40 127.29 2k9f s VAL 63 Ca 0.01 -1.13 0.05 0.00 0.00 0.00 0.00 61.98 60.91 2k9f s VAL 63 Cb -0.14 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 2k9f s VAL 63 CO 0.02 0.42 -0.14 0.00 0.00 0.00 0.00 175.10 175.40 2k9f s ALA 64 N -0.66 1.18 -0.49 5.51 0.00 -0.11 -3.64 121.76 123.55 2k9f s ALA 64 Ca 0.09 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.07 2k9f s ALA 64 Cb -0.09 -0.13 0.13 0.00 0.00 0.00 0.00 23.12 23.02 2k9f s ALA 64 CO 0.00 0.19 0.32 -1.12 0.00 0.00 0.00 175.76 175.15 2k9f s SER 65 N -1.50 5.43 0.10 0.00 0.01 -1.26 -0.35 113.70 116.13 2k9f s SER 65 Ca -0.00 -2.22 -0.31 0.00 1.31 0.00 0.00 55.95 54.73 2k9f s SER 65 Cb -0.09 -1.90 -0.10 0.00 0.21 0.00 0.00 66.02 64.14 2k9f s SER 65 CO 0.02 -0.55 1.88 -2.16 0.41 0.00 0.00 173.24 172.84 2k9f s PRO 66 N 0.88 4.13 0.00 12.44 0.04 -1.22 -1.78 135.00 149.50 2k9f s PRO 66 Ca 0.10 2.62 0.00 0.00 0.04 0.00 0.00 61.00 63.75 2k9f s PRO 66 Cb -0.23 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2k9f s PRO 66 CO -0.03 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.54 2k9f n GLY 67 N 4.34 3.17 3.81 0.56 0.00 -0.14 -3.71 105.19 113.22 2k9f n GLY 67 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.89 3.70 -2.11 1.61 5.36 -0.73 -3.75 117.98 120.17 2k9f s PHE 68 Ca 0.00 1.46 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 2k9f s PHE 68 Cb 0.00 -2.67 0.00 0.00 -0.34 0.00 0.00 43.02 40.01 2k9f s PHE 68 CO 0.00 0.36 0.00 1.28 -1.46 0.00 0.00 175.22 175.40 2k9f n LEU 69 N 0.87 -1.65 -0.87 6.12 7.99 -1.26 -1.66 117.00 126.53 2k9f n LEU 69 Ca -0.03 0.37 -0.09 0.00 -0.01 0.00 0.00 56.01 56.25 2k9f n LEU 69 Cb 0.51 -2.90 -0.02 0.00 -0.11 0.00 0.00 43.42 40.89 2k9f n LEU 69 CO 0.44 -0.85 -0.10 1.57 -1.51 0.00 0.00 177.39 176.93 2k9f n HIS 70 N -2.85 -0.20 -1.85 -1.77 -0.00 -1.25 -5.03 115.22 102.28 2k9f n HIS 70 Ca -0.22 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.35 2k9f n HIS 70 Cb 0.69 -2.06 0.10 0.00 -0.00 0.00 0.00 29.99 28.72 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 -0.37 -1.73 1.57 -0.58 -0.67 -4.98 120.64 111.53 2k9f n GLU 71 Ca -0.10 -1.26 -0.42 0.00 -0.42 0.00 0.00 57.16 54.96 2k9f n GLU 71 Cb 0.43 -0.61 -0.01 0.00 -0.57 0.00 0.00 31.44 30.68 2k9f n GLU 71 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2k9f n LYS 72 N -2.35 2.55 -1.62 3.49 4.76 -1.26 -3.62 118.16 120.10 2k9f n LYS 72 Ca 0.09 0.90 -0.29 0.00 -2.87 0.00 0.00 58.31 56.14 2k9f n LYS 72 Cb 0.32 -2.64 0.17 0.00 -1.84 0.00 0.00 35.03 31.03 2k9f n LYS 72 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2k9f s LYS 73 N -0.84 0.58 0.48 1.97 2.20 -1.26 -0.96 119.74 121.91 2k9f s LYS 73 Ca 0.62 -0.05 -0.24 0.00 -0.36 0.00 0.00 55.97 55.95 2k9f s LYS 73 Cb -0.52 -1.80 -0.07 0.00 -1.51 0.00 0.00 37.83 33.92 2k9f s LYS 73 CO 0.52 -2.51 1.37 0.34 -0.36 0.00 0.00 175.35 174.71 2k9f s ASP 74 N -4.37 5.73 0.00 1.43 2.15 -1.26 -1.66 116.67 118.69 2k9f s ASP 74 Ca 0.69 2.80 0.00 0.00 0.43 0.00 0.00 52.55 56.46 2k9f s ASP 74 Cb -0.09 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 2k9f s ASP 74 CO 0.53 -1.26 0.00 0.61 -0.17 0.00 0.00 175.17 174.88 2k9f n GLY 75 N 0.63 1.50 0.13 2.66 0.00 -1.26 -4.59 105.19 104.26 2k9f n GLY 75 Ca 0.07 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2k9f n GLY 75 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k9f h ASP 76 N 0.00 0.31 0.04 1.61 5.19 -1.87 -2.65 116.42 119.05 2k9f h ASP 76 Ca 0.00 -0.20 -0.06 0.00 -0.62 0.00 0.00 57.03 56.15 2k9f h ASP 76 Cb 0.00 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 2k9f h ASP 76 CO 0.00 0.43 -0.16 0.15 -3.12 0.00 0.00 179.24 176.54 2k9f h PHE 77 N 0.17 0.25 -0.54 4.55 3.57 -1.57 -2.37 116.94 121.01 2k9f h PHE 77 Ca 0.07 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2k9f h PHE 77 Cb 0.23 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 2k9f h PHE 77 CO 0.00 0.40 0.36 0.37 -2.23 0.00 0.00 178.31 177.20 2k9f h GLN 78 N 0.23 0.72 -0.04 1.11 4.15 -1.75 -2.02 115.11 117.51 2k9f h GLN 78 Ca 0.04 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 2k9f h GLN 78 Cb 0.42 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2k9f h GLN 78 CO 0.03 0.48 -0.56 0.87 -1.93 0.00 0.00 178.83 177.72 2k9f h LYS 79 N 0.74 0.12 -0.34 1.69 1.57 -1.24 -1.39 116.57 117.73 2k9f h LYS 79 Ca 0.20 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2k9f h LYS 79 Cb -0.08 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2k9f h LYS 79 CO -0.04 0.65 0.18 2.35 -0.57 0.00 0.00 179.45 182.03 2k9f h TRP 80 N 0.09 0.34 -0.13 -1.35 2.91 -0.87 -1.00 115.95 115.95 2k9f h TRP 80 Ca -0.00 0.01 -0.21 0.00 1.13 0.00 0.00 58.89 59.82 2k9f h TRP 80 Cb 1.02 -0.11 0.01 0.00 -0.51 0.00 0.00 29.16 29.57 2k9f h TRP 80 CO 0.01 0.20 -0.72 -0.92 -1.03 0.00 0.00 178.44 175.97 2k9f h TYR 81 N 0.38 0.98 -0.49 2.65 3.20 -1.29 -3.18 116.97 119.22 2k9f h TYR 81 Ca 0.14 -0.44 0.06 0.00 3.14 0.00 0.00 58.73 61.62 2k9f h TYR 81 Cb 0.02 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 2k9f h TYR 81 CO -0.08 1.26 0.33 0.00 -1.64 0.00 0.00 178.16 178.02 2k9f h ALA 82 N 0.52 1.91 -0.58 1.82 0.00 -1.03 -0.29 119.26 121.60 2k9f h ALA 82 Ca -0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2k9f h ALA 82 Cb 1.36 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 2k9f h ALA 82 CO 0.15 0.01 0.17 0.41 0.00 0.00 0.00 179.25 179.99 2k9f n GLY 83 N -1.51 3.14 3.67 0.00 0.00 -0.40 -4.93 105.19 105.17 2k9f n GLY 83 Ca 0.06 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 2k9f n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k9f s LEU 84 N -2.42 2.97 0.73 0.99 1.43 -0.12 -5.04 118.68 117.23 2k9f s LEU 84 Ca 0.46 -1.26 -0.03 0.00 -1.03 0.00 0.00 54.13 52.27 2k9f s LEU 84 Cb 0.36 -1.11 0.12 0.00 0.03 0.00 0.00 46.19 45.59 2k9f s LEU 84 CO 0.12 -0.49 1.02 0.21 0.23 0.00 0.00 176.35 177.43 2k9f s ASN 85 N -3.79 4.33 -0.28 2.29 2.47 -1.26 -4.80 114.94 113.90 2k9f s ASN 85 Ca 0.37 -0.14 -0.03 0.00 0.42 0.00 0.00 52.86 53.48 2k9f s ASN 85 Cb 0.07 -0.28 0.00 0.00 -1.45 0.00 0.00 41.25 39.60 2k9f s ASN 85 CO 0.20 -1.88 0.29 -1.22 -3.72 0.00 0.00 177.10 170.77 2k9f n TYR 86 N -2.92 -1.42 1.33 0.43 4.01 -1.26 -4.93 117.16 112.40 2k9f n TYR 86 Ca 0.13 0.55 0.11 0.00 -0.16 0.00 0.00 57.90 58.54 2k9f n TYR 86 Cb 0.60 -2.66 0.65 0.00 -0.31 0.00 0.00 39.34 37.62 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 -0.99 0.61 0.00 -0.72 -0.04 -1.26 -2.34 135.00 130.26 2k9f n PRO 87 Ca 0.02 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2k9f n PRO 87 Cb 0.39 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.08 2.01 -2.36 0.54 4.76 -1.26 -4.90 118.16 115.87 2k9f n LYS 88 Ca 0.15 -1.59 -0.43 0.00 -2.87 0.00 0.00 58.31 53.58 2k9f n LYS 88 Cb 0.11 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.81 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 -2.08 3.88 -1.31 -0.35 1.43 -0.99 -4.93 118.68 114.33 2k9f s LEU 89 Ca 0.28 1.28 -0.18 0.00 -1.03 0.00 0.00 54.13 54.49 2k9f s LEU 89 Cb 0.20 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.92 2k9f s LEU 89 CO 0.35 -1.11 1.86 -0.81 0.23 0.00 0.00 176.35 176.87 2k9f n PRO 90 N 7.38 2.94 -3.22 1.29 -0.04 -1.26 -4.94 135.00 137.15 2k9f n PRO 90 Ca 0.15 -3.03 -0.40 0.00 -0.04 0.00 0.00 63.50 60.18 2k9f n PRO 90 Cb 0.46 -3.46 -0.07 0.00 -0.04 0.00 0.00 33.50 30.39 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 4.62 5.04 -0.03 0.52 1.01 -1.25 -0.93 120.40 129.38 2k9f s VAL 91 Ca 0.54 0.77 -0.03 0.00 0.00 0.00 0.00 61.98 63.26 2k9f s VAL 91 Cb 0.06 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2k9f s VAL 91 CO 0.05 -0.00 0.16 -0.69 0.00 0.00 0.00 175.10 174.61 2k9f s VAL 92 N 2.37 5.33 -0.27 2.92 1.01 0.21 -0.15 120.40 131.82 2k9f s VAL 92 Ca 0.21 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 2k9f s VAL 92 Cb -0.15 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2k9f s VAL 92 CO 0.10 0.40 0.07 -0.89 0.00 0.00 0.00 175.10 174.78 2k9f s THR 93 N -1.24 4.10 -0.56 3.92 2.01 0.09 -0.94 115.64 123.04 2k9f s THR 93 Ca 0.24 -0.45 -0.07 0.00 0.31 0.00 0.00 61.69 61.72 2k9f s THR 93 Cb -0.12 -3.02 0.14 0.00 0.01 0.00 0.00 72.50 69.51 2k9f s THR 93 CO 0.15 0.21 0.41 -0.62 -0.69 0.00 0.00 174.62 174.08 2k9f s ASP 94 N 1.55 5.67 -0.25 3.53 2.15 0.52 -3.93 116.67 125.92 2k9f s ASP 94 Ca 0.05 -2.29 -0.29 0.00 0.43 0.00 0.00 52.55 50.44 2k9f s ASP 94 Cb -0.16 -1.97 -0.03 0.00 -0.30 0.00 0.00 42.92 40.46 2k9f s ASP 94 CO 0.03 -0.57 1.77 0.21 -0.17 0.00 0.00 175.17 176.43 2k9f s ASN 95 N 1.96 6.09 0.00 -0.34 3.84 -1.26 -1.77 114.94 123.45 2k9f s ASN 95 Ca 0.11 1.56 0.00 0.00 0.21 0.00 0.00 52.86 54.74 2k9f s ASN 95 Cb -0.22 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 37.95 2k9f s ASN 95 CO -0.03 -1.51 0.00 0.61 -2.79 0.00 0.00 177.10 173.38 2k9f n GLY 96 N 5.09 0.23 2.56 1.21 0.00 -1.24 -4.43 105.19 108.61 2k9f n GLY 96 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.10 0.15 -0.02 0.00 -0.73 -4.84 105.19 97.64 2k9f n GLY 97 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.17 1.10 -0.05 2.61 2.02 -1.79 0.25 112.91 115.88 2k9f h THR 98 Ca -0.38 -0.23 -0.19 0.00 0.77 0.00 0.00 66.41 66.39 2k9f h THR 98 Cb 1.22 0.70 0.01 0.00 -1.74 0.00 0.00 68.15 68.33 2k9f h THR 98 CO 0.32 0.10 -0.70 0.40 0.37 0.00 0.00 175.52 176.00 2k9f h ILE 99 N 0.40 1.35 -0.54 3.11 1.08 -1.93 -2.43 117.51 118.55 2k9f h ILE 99 Ca 0.11 -2.03 0.02 0.00 -0.39 0.00 0.00 64.86 62.57 2k9f h ILE 99 Cb -0.00 2.35 -0.04 0.00 -3.07 0.00 0.00 36.82 36.06 2k9f h ILE 99 CO -0.02 0.61 0.33 0.00 -0.69 0.00 0.00 178.15 178.38 2k9f h ALA 100 N 0.41 0.69 -0.27 1.87 0.00 -1.90 -1.79 119.26 118.28 2k9f h ALA 100 Ca -0.07 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2k9f h ALA 100 Cb 1.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2k9f h ALA 100 CO 0.14 0.04 -0.41 0.37 0.00 0.00 0.00 179.25 179.40 2k9f h GLN 101 N 0.65 0.64 -0.25 0.00 4.15 -0.56 0.31 115.11 120.05 2k9f h GLN 101 Ca 0.22 -0.33 -0.06 0.00 0.77 0.00 0.00 58.65 59.25 2k9f h GLN 101 Cb 0.02 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 2k9f h GLN 101 CO -0.09 0.93 -0.09 0.77 -1.93 0.00 0.00 178.83 178.42 2k9f h SER 102 N 0.53 0.38 -0.02 -0.69 0.02 -0.96 -2.49 113.55 110.32 2k9f h SER 102 Ca 0.04 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2k9f h SER 102 Cb 0.93 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2k9f h SER 102 CO 0.08 0.52 -0.27 0.18 -1.14 0.00 0.00 176.83 176.19 2k9f n LEU 103 N -4.25 2.36 -3.17 5.07 4.77 -0.72 -5.00 117.00 116.06 2k9f n LEU 103 Ca 0.00 -0.86 -0.12 0.00 -0.03 0.00 0.00 56.01 55.00 2k9f n LEU 103 Cb 0.28 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.43 2k9f n LEU 103 CO 0.39 0.42 0.07 -3.20 -1.33 0.00 0.00 177.39 173.74 2k9f n ASN 104 N 0.50 -6.69 -4.41 -1.43 5.15 0.15 -4.97 115.26 103.56 2k9f n ASN 104 Ca 0.11 -0.60 -0.44 0.00 -0.60 0.00 0.00 54.58 53.05 2k9f n ASN 104 Cb 0.50 -5.10 -0.07 0.00 -0.53 0.00 0.00 39.78 34.58 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 -3.32 5.10 -0.20 -1.44 1.01 0.86 -4.86 121.20 118.35 2k9f s ILE 105 Ca 0.38 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 60.27 2k9f s ILE 105 Cb -0.05 -4.19 0.16 0.00 0.01 0.00 0.00 42.46 38.40 2k9f s ILE 105 CO 0.72 -0.66 1.11 -1.54 0.00 0.00 0.00 174.94 174.57 2k9f n SER 106 N 5.57 2.39 -3.82 3.58 3.41 -1.26 -4.82 113.62 118.66 2k9f n SER 106 Ca -0.10 -2.35 -0.12 0.00 -0.26 0.00 0.00 58.87 56.04 2k9f n SER 106 Cb 0.44 -0.19 -0.09 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.61 0.08 0.15 -3.33 0.11 -1.26 -5.15 120.40 109.39 2k9f s VAL 107 Ca 0.15 -0.62 0.09 0.00 -2.93 0.00 0.00 61.98 58.67 2k9f s VAL 107 Cb 0.12 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 2k9f s VAL 107 CO 0.04 -0.34 -0.20 -0.31 -3.33 0.00 0.00 175.10 170.96 2k9f s TYR 108 N -1.49 1.90 -0.13 1.54 2.02 -1.26 -3.86 117.35 116.07 2k9f s TYR 108 Ca -0.13 -0.44 -0.20 0.00 -0.37 0.00 0.00 57.07 55.93 2k9f s TYR 108 Cb -0.06 -0.97 -0.04 0.00 -0.40 0.00 0.00 41.96 40.50 2k9f s TYR 108 CO 0.02 0.32 0.58 -1.25 -1.57 0.00 0.00 175.55 173.65 2k9f s PRO 109 N -2.54 4.33 -0.09 -1.71 0.05 -1.26 -4.82 135.00 128.96 2k9f s PRO 109 Ca 0.14 0.61 -0.12 0.00 0.05 0.00 0.00 61.00 61.68 2k9f s PRO 109 Cb -0.07 -3.48 -0.05 0.00 0.05 0.00 0.00 34.50 30.95 2k9f s PRO 109 CO 0.06 0.02 0.29 -1.12 0.05 0.00 0.00 177.00 176.31 2k9f s SER 110 N 0.84 6.55 -0.29 6.66 0.01 -1.22 -4.16 113.70 122.09 2k9f s SER 110 Ca 0.30 0.66 -0.02 0.00 1.31 0.00 0.00 55.95 58.19 2k9f s SER 110 Cb -0.16 -2.18 0.04 0.00 0.21 0.00 0.00 66.02 63.94 2k9f s SER 110 CO 0.12 0.26 0.00 0.26 0.41 0.00 0.00 173.24 174.30 2k9f s TRP 111 N -0.48 3.23 -0.41 2.43 0.52 0.51 -1.25 118.94 123.49 2k9f s TRP 111 Ca 0.19 -1.75 -0.15 0.00 0.02 0.00 0.00 56.10 54.41 2k9f s TRP 111 Cb -0.14 -2.12 0.02 0.00 -1.15 0.00 0.00 33.47 30.08 2k9f s TRP 111 CO 0.07 -0.78 0.29 0.00 0.02 0.00 0.00 176.95 176.56 2k9f s ALA 112 N 1.29 3.47 -0.39 0.98 0.00 0.11 -0.56 121.76 126.66 2k9f s ALA 112 Ca -0.04 -1.71 -0.20 0.00 0.00 0.00 0.00 51.96 50.01 2k9f s ALA 112 Cb -0.19 -2.87 0.01 0.00 0.00 0.00 0.00 23.12 20.07 2k9f s ALA 112 CO -0.01 -1.44 0.62 -1.17 0.00 0.00 0.00 175.76 173.76 2k9f s LEU 113 N 1.68 4.38 -0.13 0.00 2.96 0.47 -1.02 118.68 127.01 2k9f s LEU 113 Ca 0.05 -0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 53.79 2k9f s LEU 113 Cb -0.19 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 2k9f s LEU 113 CO 0.10 -0.66 0.15 -0.63 -1.32 0.00 0.00 176.35 173.99 2k9f s ILE 114 N 2.71 5.47 0.92 6.68 1.01 0.16 0.01 121.20 138.16 2k9f s ILE 114 Ca 0.23 0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.97 2k9f s ILE 114 Cb -0.14 -3.43 0.15 0.00 0.01 0.00 0.00 42.46 39.05 2k9f s ILE 114 CO 0.16 0.58 1.21 -0.83 0.00 0.00 0.00 174.94 176.06 2k9f s GLY 115 N -0.71 1.65 0.27 6.18 0.00 0.12 -1.56 107.32 113.27 2k9f s GLY 115 Ca 0.14 -0.82 0.22 0.00 0.00 0.00 0.00 44.72 44.25 2k9f s GLY 115 CO 0.03 -0.19 1.66 0.58 0.00 0.00 0.00 173.10 175.18 2k9f n LYS 116 N -3.70 0.16 0.14 2.90 2.85 -1.26 -1.47 118.16 117.78 2k9f n LYS 116 Ca 0.10 0.52 0.12 0.00 -1.05 0.00 0.00 58.31 58.00 2k9f n LYS 116 Cb 0.60 -1.89 0.07 0.00 -0.65 0.00 0.00 35.03 33.16 2k9f n LYS 116 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2k9f h ASP 117 N 0.00 0.00 0.00 -5.58 3.58 -1.91 -3.38 116.42 109.13 2k9f h ASP 117 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k9f h ASP 117 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2k9f h ASP 117 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2k9f n GLY 118 N 1.16 0.62 3.95 -0.78 0.00 -0.54 -5.09 105.19 104.51 2k9f n GLY 118 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.24 6.33 -0.18 1.61 -4.77 -1.26 -4.82 116.67 111.34 2k9f s ASP 119 Ca 0.00 0.33 -0.29 0.00 -3.30 0.00 0.00 52.55 49.29 2k9f s ASP 119 Cb 0.00 -1.98 -0.02 0.00 -1.09 0.00 0.00 42.92 39.83 2k9f s ASP 119 CO 0.00 -0.16 1.33 -0.69 0.70 0.00 0.00 175.17 176.35 2k9f s VAL 120 N -2.10 4.15 -0.16 2.11 1.01 -1.26 0.16 120.40 124.31 2k9f s VAL 120 Ca 0.38 1.37 -0.22 0.00 0.00 0.00 0.00 61.98 63.51 2k9f s VAL 120 Cb -0.10 -3.95 -0.20 0.00 0.00 0.00 0.00 36.38 32.14 2k9f s VAL 120 CO 0.32 -0.19 0.43 -0.61 0.00 0.00 0.00 175.10 175.04 2k9f h GLN 121 N 8.68 0.00 -2.28 2.72 5.75 -0.73 -3.46 115.11 125.79 2k9f h GLN 121 Ca -0.28 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.15 2k9f h GLN 121 Cb 1.11 0.00 -0.21 0.00 1.07 0.00 0.00 27.48 29.45 2k9f h GLN 121 CO 0.98 0.85 0.01 0.50 -2.65 0.00 0.00 178.83 178.52 2k9f s ARG 122 N -2.22 0.76 -0.21 1.69 6.06 -0.89 -5.03 118.95 119.12 2k9f s ARG 122 Ca -0.21 0.68 -0.01 0.00 -2.50 0.00 0.00 55.73 53.69 2k9f s ARG 122 Cb 0.01 0.37 0.01 0.00 0.06 0.00 0.00 34.95 35.40 2k9f s ARG 122 CO 0.56 -0.13 -0.12 -1.50 -2.50 0.00 0.00 175.30 171.61 2k9f s ILE 123 N -0.03 2.67 -0.24 4.11 1.10 -1.26 -0.39 121.20 127.16 2k9f s ILE 123 Ca -0.03 -0.79 -0.06 0.00 -0.51 0.00 0.00 60.65 59.27 2k9f s ILE 123 Cb -0.04 -2.20 -0.02 0.00 0.15 0.00 0.00 42.46 40.35 2k9f s ILE 123 CO 0.03 0.44 0.03 -0.69 -2.11 0.00 0.00 174.94 172.64 2k9f s VAL 124 N 1.37 4.03 -0.10 4.00 1.01 0.28 -4.99 120.40 125.98 2k9f s VAL 124 Ca 0.04 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2k9f s VAL 124 Cb -0.14 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.39 2k9f s VAL 124 CO -0.08 0.37 -0.14 -0.54 0.00 0.00 0.00 175.10 174.72 2k9f s LYS 125 N 1.51 2.04 0.00 2.72 1.02 -1.26 -0.36 119.74 125.40 2k9f s LYS 125 Ca 0.06 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.56 2k9f s LYS 125 Cb -0.15 -1.78 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 2k9f s LYS 125 CO 0.02 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 2k9f n GLY 126 N 4.27 0.66 3.63 -3.33 0.00 -1.26 -5.08 105.19 104.09 2k9f n GLY 126 Ca -0.19 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.77 0.13 1.61 0.15 -1.26 -4.22 113.70 105.33 2k9f s SER 127 Ca 0.00 1.44 0.10 0.00 0.70 0.00 0.00 55.95 58.19 2k9f s SER 127 Cb 0.00 1.43 -0.04 0.00 -1.71 0.00 0.00 66.02 65.70 2k9f s SER 127 CO 0.00 -0.24 -0.25 0.27 1.20 0.00 0.00 173.24 174.22 2k9f s ILE 128 N 0.60 2.09 0.48 6.45 -4.36 -1.26 -5.12 121.20 120.08 2k9f s ILE 128 Ca -0.02 -1.73 0.05 0.00 -0.26 0.00 0.00 60.65 58.69 2k9f s ILE 128 Cb -0.05 -1.88 -0.01 0.00 1.25 0.00 0.00 42.46 41.77 2k9f s ILE 128 CO -0.03 0.01 0.20 0.54 0.24 0.00 0.00 174.94 175.90 2k9f s ASN 129 N -2.10 4.40 0.17 4.36 2.20 -1.26 -5.00 114.94 117.72 2k9f s ASN 129 Ca 0.12 -1.29 -0.14 0.00 -0.94 0.00 0.00 52.86 50.62 2k9f s ASN 129 Cb -0.10 0.07 0.08 0.00 -2.00 0.00 0.00 41.25 39.30 2k9f s ASN 129 CO 0.06 -0.80 1.82 -0.08 -2.94 0.00 0.00 177.10 175.15 2k9f h GLU 130 N 1.20 0.60 -0.83 3.55 4.81 -2.01 -0.76 114.58 121.13 2k9f h GLU 130 Ca -0.41 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 58.82 2k9f h GLU 130 Cb 1.28 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 2k9f h GLU 130 CO 0.67 0.40 0.52 0.00 -0.73 0.00 0.00 179.01 179.87 2k9f h ALA 131 N 1.21 1.11 -0.38 2.92 0.00 -1.99 -0.43 119.26 121.70 2k9f h ALA 131 Ca 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2k9f h ALA 131 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2k9f h ALA 131 CO -0.07 0.32 0.06 1.96 0.00 0.00 0.00 179.25 181.52 2k9f h GLN 132 N 1.00 0.62 -0.52 0.00 4.20 -1.81 0.32 115.11 118.92 2k9f h GLN 132 Ca 0.34 -0.17 0.02 0.00 0.06 0.00 0.00 58.65 58.90 2k9f h GLN 132 Cb 0.06 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 2k9f h GLN 132 CO -0.13 0.68 0.32 0.00 -0.67 0.00 0.00 178.83 179.03 2k9f h ALA 133 N 0.91 0.66 -0.19 3.87 0.00 -0.55 0.72 119.26 124.68 2k9f h ALA 133 Ca 0.11 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2k9f h ALA 133 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2k9f h ALA 133 CO 0.01 0.05 -0.38 -0.07 0.00 0.00 0.00 179.25 178.86 2k9f h LEU 134 N 0.65 0.45 -0.60 0.00 3.38 -0.97 -2.85 115.31 115.37 2k9f h LEU 134 Ca 0.20 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 2k9f h LEU 134 Cb -0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2k9f h LEU 134 CO -0.07 0.79 -0.15 0.00 0.09 0.00 0.00 178.44 179.10 2k9f h ALA 135 N 1.24 0.79 -0.33 1.53 0.00 -0.25 -2.67 119.26 119.57 2k9f h ALA 135 Ca 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2k9f h ALA 135 Cb 0.83 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2k9f h ALA 135 CO 0.07 0.66 0.08 1.25 0.00 0.00 0.00 179.25 181.31 2k9f h LEU 136 N 0.84 0.44 -1.12 0.00 5.85 -0.72 0.27 115.31 120.87 2k9f h LEU 136 Ca 0.13 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 2k9f h LEU 136 Cb 0.70 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2k9f h LEU 136 CO 0.05 0.44 -0.33 0.40 -0.34 0.00 0.00 178.44 178.67 2k9f h ILE 137 N 0.48 1.27 0.00 4.05 2.04 -1.25 -3.27 117.51 120.82 2k9f h ILE 137 Ca 0.11 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.69 2k9f h ILE 137 Cb 0.18 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2k9f h ILE 137 CO -0.00 0.38 -0.02 0.03 0.00 0.00 0.00 178.15 178.54 2k9f h ARG 138 N 0.17 0.00 -4.33 2.37 2.47 -0.97 -3.46 114.38 110.63 2k9f h ARG 138 Ca 0.02 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.18 2k9f h ARG 138 Cb 0.67 0.00 -0.37 0.00 -1.65 0.00 0.00 29.97 28.62 2k9f h ARG 138 CO 0.05 0.00 -0.81 0.34 0.56 0.00 0.00 179.97 180.11 2k9f s ASP 139 N -5.24 2.71 0.00 7.04 2.15 0.85 -4.99 116.67 119.18 2k9f s ASP 139 Ca -0.01 -0.57 0.16 0.00 0.43 0.00 0.00 52.55 52.57 2k9f s ASP 139 Cb 0.00 -0.99 0.86 0.00 -0.30 0.00 0.00 42.92 42.49 2k9f s ASP 139 CO 0.01 -0.14 1.42 -2.65 -0.17 0.00 0.00 175.17 173.64 2k9f n PRO 140 N 4.85 0.33 0.00 4.34 -0.02 -1.23 -1.93 135.00 141.33 2k9f n PRO 140 Ca -0.13 0.09 0.12 0.00 -2.02 0.00 0.00 63.50 61.56 2k9f n PRO 140 Cb 0.49 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.68 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 -1.18 1.97 -4.64 2.55 3.02 -1.26 -4.89 115.26 110.83 2k9f n ASN 141 Ca 0.09 -1.51 -0.43 0.00 -0.03 0.00 0.00 54.58 52.70 2k9f n ASN 141 Cb 0.10 0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 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 -2.25 3.42 0.25 5.41 0.00 -0.81 -4.99 121.76 122.79 2k9f s ALA 142 Ca 0.26 0.60 0.10 0.00 0.00 0.00 0.00 51.96 52.92 2k9f s ALA 142 Cb 0.19 -3.79 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 2k9f s ALA 142 CO 0.44 -1.70 -0.17 0.34 0.00 0.00 0.00 175.76 174.67 2k9f s ASP 143 N 3.69 3.20 0.00 0.00 -1.08 -1.26 -4.87 116.67 116.36 2k9f s ASP 143 Ca 0.70 -1.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.69 2k9f s ASP 143 Cb -0.27 -0.24 0.00 0.00 -1.46 0.00 0.00 42.92 40.95 2k9f s ASP 143 CO 0.27 -0.05 0.00 0.00 0.52 0.00 0.00 175.17 175.91