#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9f s VAL 2 N 0.00 2.95 0.05 1.12 -7.23 -1.26 -4.93 120.40 111.11 2k9f s VAL 2 Ca 0.00 -3.37 0.32 0.00 -1.81 0.00 0.00 61.98 57.12 2k9f s VAL 2 Cb 0.00 -2.99 0.35 0.00 0.56 0.00 0.00 36.38 34.30 2k9f s VAL 2 CO 0.00 -0.85 1.97 1.55 -0.31 0.00 0.00 175.10 177.46 2k9f h PRO 3 N 6.47 0.00 -0.23 4.82 0.13 -2.03 -2.66 132.00 138.50 2k9f h PRO 3 Ca -0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 2k9f h PRO 3 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2k9f h PRO 3 CO 0.70 0.00 0.02 1.12 -0.23 0.00 0.00 178.00 179.61 2k9f h HIS 4 N 0.00 0.34 -0.32 1.56 2.07 -1.97 -1.51 115.15 115.31 2k9f h HIS 4 Ca 0.00 -0.02 -0.13 0.00 -2.85 0.00 0.00 60.37 57.37 2k9f h HIS 4 Cb 0.32 -0.10 -0.01 0.00 2.57 0.00 0.00 27.41 30.19 2k9f h HIS 4 CO 0.00 0.34 -0.32 1.15 -3.07 0.00 0.00 177.93 176.03 2k9f h THR 5 N 0.33 1.29 -0.09 6.12 2.02 -1.90 -1.35 112.91 119.33 2k9f h THR 5 Ca 0.08 -1.49 -0.07 0.00 0.77 0.00 0.00 66.41 65.70 2k9f h THR 5 Cb 0.20 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2k9f h THR 5 CO 0.00 0.48 -0.27 -0.07 0.37 0.00 0.00 175.52 176.04 2k9f h LEU 6 N 0.56 0.15 -0.05 2.58 4.07 -1.56 -1.13 115.31 119.93 2k9f h LEU 6 Ca 0.05 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2k9f h LEU 6 Cb 0.90 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.59 2k9f h LEU 6 CO 0.08 0.43 -0.14 -1.20 -1.08 0.00 0.00 178.44 176.52 2k9f n SER 7 N -4.17 0.23 0.01 -0.43 7.64 -0.61 -3.19 113.62 113.10 2k9f n SER 7 Ca -0.01 0.02 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 2k9f n SER 7 Cb 0.36 -0.20 -0.10 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.36 1.13 -2.03 0.44 -1.04 -0.49 -4.78 114.28 106.15 2k9f n THR 8 Ca 0.09 -0.70 -0.42 0.00 -2.04 0.00 0.00 64.05 60.98 2k9f n THR 8 Cb 0.32 -0.66 -0.03 0.00 -1.82 0.00 0.00 70.33 68.13 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 -5.66 4.36 0.15 -4.42 1.02 -0.80 -4.94 118.68 108.39 2k9f s LEU 9 Ca -0.04 2.45 0.09 0.00 0.02 0.00 0.00 54.13 56.65 2k9f s LEU 9 Cb 0.09 -3.58 -0.04 0.00 0.02 0.00 0.00 46.19 42.68 2k9f s LEU 9 CO 0.82 -0.78 -0.16 -0.54 0.02 0.00 0.00 176.35 175.71 2k9f s LYS 10 N 1.63 1.84 0.89 1.70 3.01 -1.26 -1.19 119.74 126.36 2k9f s LYS 10 Ca 0.69 -1.25 -0.13 0.00 -1.01 0.00 0.00 55.97 54.27 2k9f s LYS 10 Cb -0.39 -2.10 0.13 0.00 -1.01 0.00 0.00 37.83 34.46 2k9f s LYS 10 CO 0.31 0.46 1.19 0.95 0.51 0.00 0.00 175.35 178.76 2k9f s THR 11 N -1.39 1.98 -0.37 2.17 -4.23 0.60 -0.53 115.64 113.87 2k9f s THR 11 Ca 0.21 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 60.96 2k9f s THR 11 Cb -0.10 -2.90 0.26 0.00 1.34 0.00 0.00 72.50 71.11 2k9f s THR 11 CO 0.12 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 175.94 2k9f h ALA 12 N -1.38 1.00 0.00 3.99 0.00 -0.62 -0.15 119.26 122.09 2k9f h ALA 12 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2k9f h ALA 12 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2k9f h ALA 12 CO 0.58 0.00 -0.20 0.22 0.00 0.00 0.00 179.25 179.85 2k9f h ASP 13 N 0.00 0.00 0.00 0.00 1.82 -1.92 -3.48 116.42 112.85 2k9f h ASP 13 Ca 0.00 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 2k9f h ASP 13 Cb 0.33 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.34 2k9f h ASP 13 CO 0.00 0.03 0.00 -3.20 -1.61 0.00 0.00 179.24 174.46 2k9f n ASN 14 N -2.33 0.00 -4.76 2.28 5.15 -0.07 -5.06 115.26 110.46 2k9f n ASN 14 Ca 0.05 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.62 2k9f n ASN 14 Cb 0.45 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.66 2k9f n ASN 14 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2k9f s ARG 15 N -0.87 4.51 0.53 1.20 6.06 -1.26 -4.59 118.95 124.54 2k9f s ARG 15 Ca 0.00 1.95 -0.21 0.00 -2.50 0.00 0.00 55.73 54.96 2k9f s ARG 15 Cb 0.00 -3.12 -0.05 0.00 0.06 0.00 0.00 34.95 31.84 2k9f s ARG 15 CO 0.00 0.05 1.27 -1.25 -2.50 0.00 0.00 175.30 172.86 2k9f s PRO 16 N -1.62 3.30 0.12 5.12 0.04 -1.26 -0.29 135.00 140.40 2k9f s PRO 16 Ca 0.47 2.01 0.13 0.00 0.04 0.00 0.00 61.00 63.65 2k9f s PRO 16 Cb -0.34 -2.24 0.61 0.00 0.04 0.00 0.00 34.50 32.57 2k9f s PRO 16 CO 0.45 -0.99 1.41 0.00 0.04 0.00 0.00 177.00 177.90 2k9f n ALA 17 N -0.97 1.33 0.21 8.56 0.00 -0.33 -2.72 120.51 126.58 2k9f n ALA 17 Ca 0.10 0.04 0.18 0.00 0.00 0.00 0.00 53.44 53.77 2k9f n ALA 17 Cb 0.47 -1.21 0.84 0.00 0.00 0.00 0.00 19.45 19.55 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 0.21 0.00 0.02 -1.82 -0.34 113.55 111.61 2k9f h SER 18 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2k9f h SER 18 Cb 0.14 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 2k9f h SER 18 CO 0.00 0.00 -0.03 -0.37 -1.14 0.00 0.00 176.83 175.29 2k9f h VAL 19 N 0.00 0.30 0.00 2.27 -1.51 -1.90 -2.25 116.25 113.15 2k9f h VAL 19 Ca 0.09 -0.20 -0.06 0.00 -1.23 0.00 0.00 66.70 65.30 2k9f h VAL 19 Cb 0.63 1.15 -0.14 0.00 -2.13 0.00 0.00 31.29 30.81 2k9f h VAL 19 CO -0.00 0.03 -0.66 -1.22 -1.23 0.00 0.00 177.57 174.49 2k9f n TYR 20 N -3.44 0.00 -2.28 5.19 4.01 -0.15 -4.71 117.16 115.78 2k9f n TYR 20 Ca -0.02 -1.08 0.04 0.00 -0.16 0.00 0.00 57.90 56.68 2k9f n TYR 20 Cb 0.14 -0.20 0.05 0.00 -0.31 0.00 0.00 39.34 39.02 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 -0.54 1.23 0.00 7.72 4.77 -0.85 -4.80 117.00 124.53 2k9f n LEU 21 Ca 0.14 -2.26 -0.11 0.00 -0.03 0.00 0.00 56.01 53.74 2k9f n LEU 21 Cb 0.85 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.80 2k9f n LEU 21 CO -0.04 0.64 -0.07 0.29 -1.33 0.00 0.00 177.39 176.89 2k9f n LYS 22 N 0.15 0.54 -1.03 3.23 5.02 -1.23 -4.84 118.16 120.00 2k9f n LYS 22 Ca 0.08 -1.63 -0.01 0.00 -2.02 0.00 0.00 58.31 54.72 2k9f n LYS 22 Cb 1.03 1.06 -0.00 0.00 -0.02 0.00 0.00 35.03 37.09 2k9f n LYS 22 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k9f n LYS 23 N -0.39 -0.81 -2.94 1.97 4.81 -1.26 -3.25 118.16 116.29 2k9f n LYS 23 Ca -0.00 0.28 -0.21 0.00 -0.87 0.00 0.00 58.31 57.51 2k9f n LYS 23 Cb 0.29 -3.94 0.02 0.00 0.02 0.00 0.00 35.03 31.42 2k9f n LYS 23 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k9f n ASP 24 N -0.30 -5.37 -4.88 3.14 8.00 -1.26 -4.98 116.55 110.90 2k9f n ASP 24 Ca -0.01 -0.22 -0.32 0.00 0.71 0.00 0.00 54.79 54.95 2k9f n ASP 24 Cb 0.22 -4.39 -0.05 0.00 -0.02 0.00 0.00 41.12 36.88 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 -5.60 3.33 0.42 -1.24 1.02 -1.20 -4.74 119.74 111.73 2k9f s LYS 25 Ca 0.25 -0.41 -0.26 0.00 0.02 0.00 0.00 55.97 55.56 2k9f s LYS 25 Cb -0.12 -3.01 -0.10 0.00 -0.52 0.00 0.00 37.83 34.09 2k9f s LYS 25 CO 0.30 0.64 1.32 -0.35 -0.92 0.00 0.00 175.35 176.34 2k9f n PRO 26 N 0.74 2.06 -4.60 -1.68 -0.04 -1.26 -4.77 135.00 125.46 2k9f n PRO 26 Ca -0.09 0.73 -0.32 0.00 -0.04 0.00 0.00 63.50 63.78 2k9f n PRO 26 Cb 0.52 -2.45 -0.11 0.00 -0.04 0.00 0.00 33.50 31.42 2k9f n PRO 26 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2k9f s THR 27 N -1.18 3.35 -0.35 0.52 2.01 -1.21 -0.21 115.64 118.57 2k9f s THR 27 Ca 0.60 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.80 2k9f s THR 27 Cb -0.50 -2.41 0.10 0.00 0.01 0.00 0.00 72.50 69.70 2k9f s THR 27 CO 0.59 0.43 0.07 -0.22 -0.69 0.00 0.00 174.62 174.81 2k9f s LEU 28 N -1.25 4.29 -0.24 4.42 2.96 0.12 -1.01 118.68 127.96 2k9f s LEU 28 Ca 0.15 -2.14 -0.20 0.00 -0.22 0.00 0.00 54.13 51.73 2k9f s LEU 28 Cb -0.11 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 2k9f s LEU 28 CO 0.05 -0.37 0.59 -0.63 -1.32 0.00 0.00 176.35 174.67 2k9f s ILE 29 N 0.93 5.02 -0.17 6.68 1.01 -0.50 -0.87 121.20 133.30 2k9f s ILE 29 Ca 0.11 1.06 -0.02 0.00 0.00 0.00 0.00 60.65 61.81 2k9f s ILE 29 Cb -0.19 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 2k9f s ILE 29 CO -0.10 0.07 -0.10 -0.75 0.00 0.00 0.00 174.94 174.06 2k9f s LYS 30 N 2.28 3.35 -0.08 2.79 2.36 0.42 0.13 119.74 130.99 2k9f s LYS 30 Ca 0.25 -0.67 -0.05 0.00 -2.55 0.00 0.00 55.97 52.95 2k9f s LYS 30 Cb -0.16 -2.78 -0.04 0.00 -1.05 0.00 0.00 37.83 33.80 2k9f s LYS 30 CO 0.09 0.01 0.13 -0.06 1.55 0.00 0.00 175.35 177.07 2k9f s PHE 31 N 0.90 3.52 0.23 4.03 0.40 -0.17 -0.69 117.98 126.20 2k9f s PHE 31 Ca -0.02 0.43 -0.10 0.00 -0.60 0.00 0.00 56.93 56.64 2k9f s PHE 31 Cb -0.15 -1.89 -0.01 0.00 0.51 0.00 0.00 43.02 41.48 2k9f s PHE 31 CO -0.00 0.68 0.39 1.67 0.70 0.00 0.00 175.22 178.65 2k9f s TRP 32 N -1.09 0.52 -0.07 0.36 1.48 -1.25 -3.10 118.94 115.79 2k9f s TRP 32 Ca 0.18 -0.85 0.04 0.00 -1.06 0.00 0.00 56.10 54.41 2k9f s TRP 32 Cb -0.12 0.01 -0.02 0.00 -1.16 0.00 0.00 33.47 32.19 2k9f s TRP 32 CO 0.08 -0.89 -0.19 0.00 -4.06 0.00 0.00 176.95 171.89 2k9f s ALA 33 N -4.04 2.42 0.04 2.67 0.00 -1.26 -4.81 121.76 116.79 2k9f s ALA 33 Ca 0.25 -0.99 -0.33 0.00 0.00 0.00 0.00 51.96 50.89 2k9f s ALA 33 Cb 0.01 -0.89 -0.18 0.00 0.00 0.00 0.00 23.12 22.06 2k9f s ALA 33 CO 0.08 0.42 1.40 0.77 0.00 0.00 0.00 175.76 178.44 2k9f h SER 34 N 5.97 -0.93 -0.28 0.00 0.02 -2.02 -3.16 113.55 113.16 2k9f h SER 34 Ca -0.35 0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 60.43 2k9f h SER 34 Cb 1.18 0.24 -0.08 0.00 0.14 0.00 0.00 62.40 63.87 2k9f h SER 34 CO 0.50 -0.60 0.24 -2.67 -1.14 0.00 0.00 176.83 173.16 2k9f n TRP 35 N -5.52 0.91 -4.54 3.45 -0.00 -1.26 -4.76 117.44 105.72 2k9f n TRP 35 Ca -0.14 -1.47 -0.33 0.00 -0.00 0.00 0.00 57.50 55.55 2k9f n TRP 35 Cb 0.44 -0.72 -0.15 0.00 -0.00 0.00 0.00 31.31 30.88 2k9f n TRP 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2k9f h PRO 37 N 7.23 0.69 -0.22 0.00 0.13 -1.89 -0.33 132.00 137.60 2k9f h PRO 37 Ca -0.32 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 2k9f h PRO 37 Cb 1.19 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2k9f h PRO 37 CO 0.57 0.53 0.07 -0.07 -0.23 0.00 0.00 178.00 178.87 2k9f h LEU 38 N 0.66 0.33 -0.92 1.56 3.38 -1.95 -2.49 115.31 115.87 2k9f h LEU 38 Ca 0.18 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2k9f h LEU 38 Cb 0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2k9f h LEU 38 CO -0.03 0.45 -0.34 0.00 0.09 0.00 0.00 178.44 178.61 2k9f h LEU 40 N 0.32 0.80 -1.08 0.00 3.38 -0.88 -2.16 115.31 115.70 2k9f h LEU 40 Ca 0.04 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2k9f h LEU 40 Cb 0.75 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2k9f h LEU 40 CO 0.06 0.82 -0.17 0.28 0.09 0.00 0.00 178.44 179.52 2k9f h SER 41 N 0.80 0.00 0.44 -0.43 0.02 -1.29 -2.78 113.55 110.32 2k9f h SER 41 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2k9f h SER 41 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2k9f h SER 41 CO 0.01 0.17 -0.16 1.21 -1.14 0.00 0.00 176.83 176.92 2k9f n GLU 42 N -3.30 0.54 -0.01 3.45 0.00 -0.83 -4.00 120.64 116.49 2k9f n GLU 42 Ca 0.01 -0.20 -0.10 0.00 0.00 0.00 0.00 57.16 56.86 2k9f n GLU 42 Cb 0.42 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.32 2k9f n GLU 42 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2k9f h LEU 43 N 0.49 0.07 -1.21 4.31 3.38 -1.28 0.16 115.31 121.22 2k9f h LEU 43 Ca 0.00 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2k9f h LEU 43 Cb 0.41 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2k9f h LEU 43 CO 0.00 0.06 -0.10 1.23 0.09 0.00 0.00 178.44 179.72 2k9f h GLY 44 N 0.11 0.46 1.04 0.83 0.00 -1.78 -2.28 103.07 101.44 2k9f h GLY 44 Ca 0.05 -0.29 -0.15 0.00 0.00 0.00 0.00 47.33 46.94 2k9f h GLY 44 CO -0.04 0.27 -0.40 -1.61 0.00 0.00 0.00 176.54 174.76 2k9f h GLN 45 N 0.40 0.77 -0.73 4.80 4.15 -1.61 -2.19 115.11 120.70 2k9f h GLN 45 Ca 0.08 -0.45 -0.00 0.00 0.77 0.00 0.00 58.65 59.05 2k9f h GLN 45 Cb 0.42 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.11 2k9f h GLN 45 CO 0.02 1.08 0.45 1.15 -1.93 0.00 0.00 178.83 179.60 2k9f h THR 46 N 0.53 1.20 -0.64 2.39 2.02 -0.45 0.45 112.91 118.41 2k9f h THR 46 Ca 0.03 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 2k9f h THR 46 Cb 0.99 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 2k9f h THR 46 CO 0.09 0.21 0.17 -0.08 0.37 0.00 0.00 175.52 176.28 2k9f h GLU 47 N 0.99 1.02 -0.59 6.66 4.81 -1.37 0.21 114.58 126.31 2k9f h GLU 47 Ca 0.26 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2k9f h GLU 47 Cb -0.05 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 2k9f h GLU 47 CO -0.05 0.91 0.08 -0.22 -0.73 0.00 0.00 179.01 179.00 2k9f h LYS 48 N 0.94 0.96 -0.14 1.92 1.63 -0.83 -2.56 116.57 118.49 2k9f h LYS 48 Ca 0.20 -0.25 -0.14 0.00 -0.85 0.00 0.00 60.65 59.61 2k9f h LYS 48 Cb 0.35 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2k9f h LYS 48 CO 0.00 0.90 -0.52 -1.49 -3.45 0.00 0.00 179.45 174.89 2k9f h TRP 49 N 0.91 0.49 0.00 1.91 6.55 -0.59 -2.60 115.95 122.62 2k9f h TRP 49 Ca 0.18 -0.17 0.00 0.00 0.95 0.00 0.00 58.89 59.86 2k9f h TRP 49 Cb 0.42 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 28.62 2k9f h TRP 49 CO 0.03 0.84 0.00 0.00 -1.05 0.00 0.00 178.44 178.25 2k9f n ALA 50 N -2.49 1.56 -0.70 1.49 0.00 0.03 -1.55 120.51 118.85 2k9f n ALA 50 Ca -0.02 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.55 2k9f n ALA 50 Cb 0.57 -1.32 0.17 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.01 2.50 -2.94 0.00 1.13 -1.00 -4.79 117.38 110.26 2k9f n GLN 51 Ca 0.02 -2.42 -0.34 0.00 -1.94 0.00 0.00 57.00 52.32 2k9f n GLN 51 Cb 0.18 -1.52 -0.07 0.00 0.11 0.00 0.00 30.24 28.95 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 -1.86 6.98 0.27 1.08 2.15 -0.59 -4.98 116.67 119.72 2k9f s ASP 52 Ca 0.30 1.56 -0.01 0.00 0.43 0.00 0.00 52.55 54.83 2k9f s ASP 52 Cb 0.23 -2.48 0.38 0.00 -0.30 0.00 0.00 42.92 40.75 2k9f s ASP 52 CO 0.07 -0.21 1.77 0.00 -0.17 0.00 0.00 175.17 176.63 2k9f h ALA 53 N 2.43 1.14 0.14 3.66 0.00 -1.92 -1.49 119.26 123.21 2k9f h ALA 53 Ca -0.48 -0.27 -0.28 0.00 0.00 0.00 0.00 54.91 53.88 2k9f h ALA 53 Cb 1.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2k9f h ALA 53 CO 0.63 0.55 -1.39 0.87 0.00 0.00 0.00 179.25 179.91 2k9f h LYS 54 N 0.66 0.29 0.00 0.00 1.79 -1.93 -3.32 116.57 114.06 2k9f h LYS 54 Ca 0.13 -0.49 -0.00 0.00 -2.18 0.00 0.00 60.65 58.11 2k9f h LYS 54 Cb 0.47 0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2k9f h LYS 54 CO 0.02 1.23 -0.01 0.74 -1.08 0.00 0.00 179.45 180.35 2k9f h PHE 55 N -0.23 0.00 0.00 -1.35 -1.00 -1.81 -2.43 116.94 110.13 2k9f h PHE 55 Ca -0.29 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.49 2k9f h PHE 55 Cb 1.82 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.38 2k9f h PHE 55 CO 0.13 0.01 0.00 0.45 -1.61 0.00 0.00 178.31 177.29 2k9f n SER 56 N -3.13 0.00 -0.10 2.17 2.88 -0.56 -2.08 113.62 112.79 2k9f n SER 56 Ca -0.01 -0.47 0.14 0.00 -1.33 0.00 0.00 58.87 57.20 2k9f n SER 56 Cb 0.22 -0.01 0.59 0.00 -0.75 0.00 0.00 64.21 64.26 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 -1.01 0.45 -4.25 -3.46 7.64 -0.91 -4.85 113.62 107.22 2k9f n SER 57 Ca 0.12 -0.50 -0.14 0.00 1.01 0.00 0.00 58.87 59.36 2k9f n SER 57 Cb 0.06 -0.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.08 2k9f n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9f s ALA 58 N -2.53 1.39 -0.77 -0.43 0.00 -0.88 -4.64 121.76 113.91 2k9f s ALA 58 Ca 0.27 -1.61 -0.19 0.00 0.00 0.00 0.00 51.96 50.43 2k9f s ALA 58 Cb 0.20 0.56 0.12 0.00 0.00 0.00 0.00 23.12 24.00 2k9f s ALA 58 CO 0.49 -0.32 0.92 -0.80 0.00 0.00 0.00 175.76 176.05 2k9f s ASN 59 N -3.19 6.44 -0.21 0.00 0.01 0.71 -4.92 114.94 113.78 2k9f s ASN 59 Ca 0.25 -1.77 -0.25 0.00 -0.71 0.00 0.00 52.86 50.37 2k9f s ASN 59 Cb 0.06 -2.35 -0.01 0.00 0.41 0.00 0.00 41.25 39.37 2k9f s ASN 59 CO 0.05 -1.08 0.85 -0.22 -1.51 0.00 0.00 177.10 175.19 2k9f s LEU 60 N 2.57 4.12 0.01 0.60 0.20 -1.26 0.10 118.68 125.02 2k9f s LEU 60 Ca 0.22 1.13 0.00 0.00 0.69 0.00 0.00 54.13 56.18 2k9f s LEU 60 Cb -0.13 -3.24 -0.01 0.00 -0.43 0.00 0.00 46.19 42.38 2k9f s LEU 60 CO -0.01 -0.48 -0.02 0.27 -0.29 0.00 0.00 176.35 175.82 2k9f s ILE 61 N 2.56 0.14 -0.35 6.68 -4.36 -0.05 -4.89 121.20 120.92 2k9f s ILE 61 Ca 0.37 -0.27 -0.13 0.00 -0.26 0.00 0.00 60.65 60.36 2k9f s ILE 61 Cb -0.16 -0.16 -0.00 0.00 1.25 0.00 0.00 42.46 43.38 2k9f s ILE 61 CO 0.09 -0.08 0.24 0.42 0.24 0.00 0.00 174.94 175.85 2k9f s THR 62 N -0.36 5.13 -0.08 8.37 -4.23 -0.04 -0.43 115.64 123.99 2k9f s THR 62 Ca -0.03 -0.40 -0.00 0.00 -1.18 0.00 0.00 61.69 60.08 2k9f s THR 62 Cb -0.03 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 2k9f s THR 62 CO -0.00 -0.08 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.25 2k9f s VAL 63 N 1.68 3.82 0.10 2.29 1.01 0.14 0.42 120.40 129.86 2k9f s VAL 63 Ca 0.05 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.65 2k9f s VAL 63 Cb -0.18 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2k9f s VAL 63 CO 0.09 0.59 -0.11 0.00 0.00 0.00 0.00 175.10 175.67 2k9f s ALA 64 N -0.67 1.20 -0.50 5.51 0.00 -0.63 -3.85 121.76 122.83 2k9f s ALA 64 Ca 0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 2k9f s ALA 64 Cb -0.11 -0.01 0.13 0.00 0.00 0.00 0.00 23.12 23.13 2k9f s ALA 64 CO 0.02 0.02 0.30 -1.12 0.00 0.00 0.00 175.76 174.98 2k9f s SER 65 N -2.35 5.25 0.17 0.00 0.01 -1.26 -0.74 113.70 114.78 2k9f s SER 65 Ca 0.05 -2.36 -0.31 0.00 1.31 0.00 0.00 55.95 54.64 2k9f s SER 65 Cb -0.04 -1.84 -0.09 0.00 0.21 0.00 0.00 66.02 64.25 2k9f s SER 65 CO 0.01 -0.48 1.47 -2.16 0.41 0.00 0.00 173.24 172.49 2k9f s PRO 66 N 0.66 4.27 0.00 12.44 0.04 -1.23 -2.29 135.00 148.89 2k9f s PRO 66 Ca 0.12 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2k9f s PRO 66 Cb -0.22 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2k9f s PRO 66 CO -0.04 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2k9f n GLY 67 N 3.19 0.52 3.22 0.56 0.00 -0.30 -3.83 105.19 108.54 2k9f n GLY 67 Ca 0.11 -0.00 -0.28 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 -2.00 1.98 -1.79 1.61 5.36 -0.97 -4.67 117.98 117.50 2k9f s PHE 68 Ca 0.00 -0.45 0.00 0.00 -0.96 0.00 0.00 56.93 55.52 2k9f s PHE 68 Cb 0.00 -1.29 0.00 0.00 -0.34 0.00 0.00 43.02 41.39 2k9f s PHE 68 CO 0.00 -0.09 0.00 1.28 -1.46 0.00 0.00 175.22 174.95 2k9f n LEU 69 N 2.73 -1.91 -0.23 6.12 7.99 -1.26 -1.30 117.00 129.14 2k9f n LEU 69 Ca -0.16 0.02 -0.03 0.00 -0.01 0.00 0.00 56.01 55.82 2k9f n LEU 69 Cb 0.52 -2.91 -0.01 0.00 -0.11 0.00 0.00 43.42 40.91 2k9f n LEU 69 CO 0.24 -0.27 -0.03 1.57 -1.51 0.00 0.00 177.39 177.39 2k9f n HIS 70 N -3.91 0.00 -1.25 -1.77 -0.00 -1.26 -5.03 115.22 102.00 2k9f n HIS 70 Ca -0.24 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.19 2k9f n HIS 70 Cb 0.69 -0.97 0.16 0.00 -0.00 0.00 0.00 29.99 29.87 2k9f n HIS 70 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2k9f s GLU 71 N -1.54 0.82 0.28 1.57 0.41 -0.42 -4.94 118.70 114.88 2k9f s GLU 71 Ca 0.00 0.57 -0.30 0.00 -0.41 0.00 0.00 54.97 54.83 2k9f s GLU 71 Cb 0.00 -1.78 -0.13 0.00 -1.78 0.00 0.00 34.13 30.44 2k9f s GLU 71 CO 0.00 -2.48 1.41 1.63 -0.49 0.00 0.00 175.26 175.33 2k9f n LYS 72 N -4.01 2.17 -1.11 1.61 4.76 -1.26 -2.94 118.16 117.39 2k9f n LYS 72 Ca 0.06 0.77 -0.30 0.00 -2.87 0.00 0.00 58.31 55.97 2k9f n LYS 72 Cb 0.57 -2.43 0.13 0.00 -1.84 0.00 0.00 35.03 31.46 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 -0.81 1.40 0.30 1.97 2.20 -1.26 -1.16 119.74 122.38 2k9f s LYS 73 Ca 0.64 1.03 -0.30 0.00 -0.36 0.00 0.00 55.97 56.98 2k9f s LYS 73 Cb -0.60 -1.81 -0.12 0.00 -1.51 0.00 0.00 37.83 33.79 2k9f s LYS 73 CO 0.53 -2.20 1.41 -3.47 -0.36 0.00 0.00 175.35 171.25 2k9f n ASP 74 N -3.88 3.06 0.00 1.43 2.03 -1.26 -1.63 116.55 116.30 2k9f n ASP 74 Ca 0.08 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.56 2k9f n ASP 74 Cb 0.54 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 2k9f n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k9f n GLY 75 N 1.51 2.55 0.24 0.27 0.00 -1.26 -4.68 105.19 103.82 2k9f n GLY 75 Ca 0.08 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 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 0.95 -0.14 1.61 1.82 -1.75 -2.67 116.42 116.25 2k9f h ASP 76 Ca 0.00 -0.53 0.01 0.00 -0.39 0.00 0.00 57.03 56.12 2k9f h ASP 76 Cb 0.00 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.73 2k9f h ASP 76 CO 0.00 1.29 0.08 0.15 -1.61 0.00 0.00 179.24 179.15 2k9f h PHE 77 N 0.64 0.14 0.00 0.28 3.57 -1.54 -2.11 116.94 117.92 2k9f h PHE 77 Ca 0.02 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2k9f h PHE 77 Cb 1.11 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2k9f h PHE 77 CO 0.07 0.09 -0.21 -0.56 -2.23 0.00 0.00 178.31 175.47 2k9f h GLN 78 N 0.16 0.00 -0.10 1.11 3.07 -1.84 -2.03 115.11 115.48 2k9f h GLN 78 Ca 0.05 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.67 2k9f h GLN 78 Cb -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 2k9f h GLN 78 CO -0.03 0.21 -0.47 0.87 0.09 0.00 0.00 178.83 179.49 2k9f h LYS 79 N 0.00 0.25 -0.30 0.06 1.57 -1.04 -1.67 116.57 115.44 2k9f h LYS 79 Ca -0.00 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 2k9f h LYS 79 Cb 0.48 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2k9f h LYS 79 CO 0.03 0.68 0.03 2.35 -0.57 0.00 0.00 179.45 181.96 2k9f h TRP 80 N 0.21 0.55 -0.62 -1.35 2.91 -0.74 -1.97 115.95 114.92 2k9f h TRP 80 Ca 0.01 -0.08 -0.02 0.00 1.13 0.00 0.00 58.89 59.93 2k9f h TRP 80 Cb 0.92 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 29.39 2k9f h TRP 80 CO 0.02 0.62 0.30 -0.92 -1.03 0.00 0.00 178.44 177.42 2k9f h TYR 81 N 0.32 0.87 0.00 2.65 3.20 -1.32 -0.82 116.97 121.87 2k9f h TYR 81 Ca 0.09 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 2k9f h TYR 81 Cb 0.38 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2k9f h TYR 81 CO 0.03 0.63 -0.17 0.00 -1.64 0.00 0.00 178.16 177.01 2k9f h ALA 82 N 1.45 1.18 -0.02 1.82 0.00 -1.00 -1.86 119.26 120.83 2k9f h ALA 82 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2k9f h ALA 82 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2k9f h ALA 82 CO -0.03 0.22 -0.06 0.41 0.00 0.00 0.00 179.25 179.79 2k9f n GLY 83 N -0.37 0.40 3.91 0.00 0.00 -0.41 -4.93 105.19 103.80 2k9f n GLY 83 Ca -0.01 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.08 3.50 0.00 0.99 1.43 -0.65 -5.07 118.68 116.80 2k9f s LEU 84 Ca 0.31 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2k9f s LEU 84 Cb 0.20 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 44.19 2k9f s LEU 84 CO 0.35 -0.63 0.00 -3.20 0.23 0.00 0.00 176.35 173.10 2k9f n ASN 85 N -1.59 0.00 -3.08 2.29 2.85 -1.26 -4.87 115.26 109.60 2k9f n ASN 85 Ca 0.04 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.45 2k9f n ASN 85 Cb 0.61 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.63 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 0.00 -3.04 0.43 1.20 4.01 -1.26 -4.87 117.16 113.64 2k9f n TYR 86 Ca 0.00 1.19 0.06 0.00 -0.16 0.00 0.00 57.90 58.99 2k9f n TYR 86 Cb 0.00 -3.91 0.26 0.00 -0.31 0.00 0.00 39.34 35.39 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 -1.37 0.02 -0.84 -0.72 -0.04 -1.26 -2.15 135.00 128.63 2k9f n PRO 87 Ca 0.00 0.28 0.05 0.00 -0.04 0.00 0.00 63.50 63.80 2k9f n PRO 87 Cb 0.51 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.84 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 -1.48 4.39 -2.67 0.54 5.02 -1.26 -4.94 118.16 117.76 2k9f n LYS 88 Ca 0.03 -3.11 -0.43 0.00 -2.02 0.00 0.00 58.31 52.78 2k9f n LYS 88 Cb 0.14 -2.19 -0.02 0.00 -0.02 0.00 0.00 35.03 32.93 2k9f n LYS 88 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k9f s LEU 89 N -2.83 3.91 -1.24 -0.35 1.43 -0.92 -4.93 118.68 113.76 2k9f s LEU 89 Ca 0.53 0.88 -0.09 0.00 -1.03 0.00 0.00 54.13 54.42 2k9f s LEU 89 Cb 0.41 -3.48 -0.12 0.00 0.03 0.00 0.00 46.19 43.04 2k9f s LEU 89 CO 0.14 -0.91 2.96 -0.81 0.23 0.00 0.00 176.35 177.96 2k9f n PRO 90 N 6.95 3.18 -2.73 1.29 -0.04 -1.26 -4.91 135.00 137.48 2k9f n PRO 90 Ca 0.11 -1.88 -0.43 0.00 -0.04 0.00 0.00 63.50 61.26 2k9f n PRO 90 Cb 0.48 -2.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 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 2.12 4.73 -0.06 0.52 1.01 -1.25 -0.86 120.40 126.61 2k9f s VAL 91 Ca 0.65 1.88 -0.03 0.00 0.00 0.00 0.00 61.98 64.48 2k9f s VAL 91 Cb 0.19 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 2k9f s VAL 91 CO -0.05 -0.15 0.10 -0.69 0.00 0.00 0.00 175.10 174.31 2k9f s VAL 92 N 3.09 4.98 -0.45 2.92 1.01 0.17 0.14 120.40 132.26 2k9f s VAL 92 Ca 0.41 -0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 2k9f s VAL 92 Cb -0.15 -3.22 0.06 0.00 0.00 0.00 0.00 36.38 33.07 2k9f s VAL 92 CO 0.06 0.48 0.35 -0.89 0.00 0.00 0.00 175.10 175.10 2k9f s THR 93 N -1.10 5.05 -0.73 3.92 2.01 0.31 -1.60 115.64 123.50 2k9f s THR 93 Ca 0.19 -1.03 -0.16 0.00 0.31 0.00 0.00 61.69 61.01 2k9f s THR 93 Cb -0.12 -3.98 0.17 0.00 0.01 0.00 0.00 72.50 68.58 2k9f s THR 93 CO 0.09 -0.50 0.72 -0.62 -0.69 0.00 0.00 174.62 173.62 2k9f s ASP 94 N 2.31 6.52 -0.35 3.53 -1.08 0.08 -4.14 116.67 123.54 2k9f s ASP 94 Ca 0.04 -2.23 -0.28 0.00 -0.52 0.00 0.00 52.55 49.56 2k9f s ASP 94 Cb -0.23 -2.24 -0.02 0.00 -1.46 0.00 0.00 42.92 38.97 2k9f s ASP 94 CO 0.07 -0.76 1.88 0.21 0.52 0.00 0.00 175.17 177.08 2k9f s ASN 95 N 2.87 5.73 0.00 -0.34 3.84 -1.26 -2.00 114.94 123.78 2k9f s ASN 95 Ca 0.14 1.27 0.00 0.00 0.21 0.00 0.00 52.86 54.48 2k9f s ASN 95 Cb -0.17 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 2k9f s ASN 95 CO -0.04 -1.85 0.00 0.61 -2.79 0.00 0.00 177.10 173.04 2k9f n GLY 96 N 5.51 2.68 1.39 1.21 0.00 -1.25 -4.49 105.19 110.24 2k9f n GLY 96 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.87 0.56 0.12 -0.02 0.00 -0.85 -4.87 105.19 98.26 2k9f n GLY 97 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.11 0.91 -0.15 2.61 2.02 -1.80 0.15 112.91 116.54 2k9f h THR 98 Ca -0.04 -0.27 -0.17 0.00 0.77 0.00 0.00 66.41 66.69 2k9f h THR 98 Cb 1.02 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2k9f h THR 98 CO 0.04 0.06 -0.61 0.40 0.37 0.00 0.00 175.52 175.78 2k9f h ILE 99 N -0.33 1.34 -0.78 3.11 1.08 -1.94 -2.51 117.51 117.47 2k9f h ILE 99 Ca -0.02 -1.90 -0.02 0.00 -0.39 0.00 0.00 64.86 62.52 2k9f h ILE 99 Cb 0.26 1.89 -0.04 0.00 -3.07 0.00 0.00 36.82 35.86 2k9f h ILE 99 CO 0.03 0.58 0.40 0.00 -0.69 0.00 0.00 178.15 178.48 2k9f h ALA 100 N 0.96 1.00 -0.31 1.87 0.00 -1.91 -2.64 119.26 118.23 2k9f h ALA 100 Ca -0.01 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 2k9f h ALA 100 Cb 1.16 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2k9f h ALA 100 CO 0.11 0.54 -0.51 0.37 0.00 0.00 0.00 179.25 179.76 2k9f h GLN 101 N 1.09 0.89 -0.46 0.00 4.15 -0.63 0.28 115.11 120.43 2k9f h GLN 101 Ca 0.27 -0.54 0.03 0.00 0.77 0.00 0.00 58.65 59.19 2k9f h GLN 101 Cb 0.08 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 2k9f h GLN 101 CO -0.04 1.18 0.31 0.77 -1.93 0.00 0.00 178.83 179.12 2k9f h SER 102 N 0.69 0.42 -0.25 -0.69 0.02 -1.16 -2.30 113.55 110.28 2k9f h SER 102 Ca 0.03 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2k9f h SER 102 Cb 1.11 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2k9f h SER 102 CO 0.12 0.29 0.00 0.18 -1.14 0.00 0.00 176.83 176.28 2k9f n LEU 103 N -4.48 2.80 -3.77 5.07 4.77 -1.02 -5.00 117.00 115.36 2k9f n LEU 103 Ca 0.05 -2.12 -0.35 0.00 -0.03 0.00 0.00 56.01 53.56 2k9f n LEU 103 Cb 0.16 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 2k9f n LEU 103 CO 0.35 0.68 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.79 2k9f n ASN 104 N 0.15 -5.09 -4.09 -1.43 5.15 -0.07 -4.85 115.26 105.03 2k9f n ASN 104 Ca 0.10 -1.07 -0.43 0.00 -0.60 0.00 0.00 54.58 52.58 2k9f n ASN 104 Cb 0.44 -2.93 0.00 0.00 -0.53 0.00 0.00 39.78 36.76 2k9f n ASN 104 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 2k9f n ILE 105 N -4.30 4.13 -0.38 -1.44 5.41 0.80 -4.66 119.36 118.93 2k9f n ILE 105 Ca -0.10 -4.23 0.07 0.00 1.00 0.00 0.00 62.75 59.48 2k9f n ILE 105 Cb 0.58 -2.43 0.32 0.00 -0.71 0.00 0.00 39.64 37.40 2k9f n ILE 105 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2k9f n SER 106 N 5.22 4.43 -3.58 4.38 3.41 -1.26 -4.90 113.62 121.32 2k9f n SER 106 Ca 0.42 -2.54 -0.16 0.00 -0.26 0.00 0.00 58.87 56.33 2k9f n SER 106 Cb 0.40 -0.58 -0.07 0.00 -0.26 0.00 0.00 64.21 63.70 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 -2.07 0.01 0.21 -3.33 0.11 -1.26 -5.17 120.40 108.90 2k9f s VAL 107 Ca 0.44 -0.07 0.07 0.00 -2.93 0.00 0.00 61.98 59.49 2k9f s VAL 107 Cb 0.30 -0.92 -0.05 0.00 -1.53 0.00 0.00 36.38 34.18 2k9f s VAL 107 CO 0.18 -0.04 -0.13 -0.31 -3.33 0.00 0.00 175.10 171.47 2k9f s TYR 108 N -0.90 1.69 0.48 1.54 2.02 -1.26 -4.38 117.35 116.53 2k9f s TYR 108 Ca -0.09 -0.62 -0.15 0.00 -0.37 0.00 0.00 57.07 55.84 2k9f s TYR 108 Cb -0.02 -0.82 -0.08 0.00 -0.40 0.00 0.00 41.96 40.65 2k9f s TYR 108 CO 0.07 0.31 0.92 -1.25 -1.57 0.00 0.00 175.55 174.03 2k9f s PRO 109 N -3.67 3.93 -0.02 -1.71 0.04 -1.26 -4.71 135.00 127.60 2k9f s PRO 109 Ca 0.23 0.84 0.03 0.00 0.04 0.00 0.00 61.00 62.14 2k9f s PRO 109 Cb 0.00 -2.21 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 2k9f s PRO 109 CO 0.07 -0.19 -0.12 0.45 0.04 0.00 0.00 177.00 177.25 2k9f s SER 110 N -3.01 1.47 -0.21 6.66 0.15 -1.18 -2.55 113.70 115.02 2k9f s SER 110 Ca 0.57 -0.23 0.02 0.00 0.70 0.00 0.00 55.95 57.01 2k9f s SER 110 Cb -0.10 -0.29 0.03 0.00 -1.71 0.00 0.00 66.02 63.96 2k9f s SER 110 CO 0.30 0.12 -0.17 0.26 1.20 0.00 0.00 173.24 174.95 2k9f s TRP 111 N -0.06 2.95 -0.43 3.44 0.52 0.18 -1.00 118.94 124.54 2k9f s TRP 111 Ca 0.01 -1.87 -0.15 0.00 0.02 0.00 0.00 56.10 54.10 2k9f s TRP 111 Cb -0.07 -1.93 0.04 0.00 -1.15 0.00 0.00 33.47 30.36 2k9f s TRP 111 CO 0.00 -0.83 0.33 0.00 0.02 0.00 0.00 176.95 176.47 2k9f s ALA 112 N 1.23 3.49 -0.36 0.98 0.00 0.12 -0.76 121.76 126.46 2k9f s ALA 112 Ca 0.00 -1.86 -0.20 0.00 0.00 0.00 0.00 51.96 49.90 2k9f s ALA 112 Cb -0.15 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2k9f s ALA 112 CO -0.10 -1.55 0.63 -1.17 0.00 0.00 0.00 175.76 173.57 2k9f s LEU 113 N 1.66 4.27 -0.16 0.00 2.96 0.13 -1.42 118.68 126.13 2k9f s LEU 113 Ca 0.05 0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 53.99 2k9f s LEU 113 Cb -0.21 -2.78 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 2k9f s LEU 113 CO 0.09 -0.60 0.12 -0.63 -1.32 0.00 0.00 176.35 174.00 2k9f s ILE 114 N 2.71 5.32 1.22 6.68 1.09 -0.18 0.05 121.20 138.08 2k9f s ILE 114 Ca 0.24 0.15 -0.20 0.00 -1.10 0.00 0.00 60.65 59.74 2k9f s ILE 114 Cb -0.14 -3.37 0.29 0.00 -1.06 0.00 0.00 42.46 38.18 2k9f s ILE 114 CO 0.15 0.52 1.12 -0.83 -0.10 0.00 0.00 174.94 175.80 2k9f s GLY 115 N -0.27 1.59 0.00 6.18 0.00 0.76 -3.33 107.32 112.25 2k9f s GLY 115 Ca 0.11 -1.02 0.06 0.00 0.00 0.00 0.00 44.72 43.87 2k9f s GLY 115 CO 0.01 -0.10 1.01 0.58 0.00 0.00 0.00 173.10 174.59 2k9f n LYS 116 N -4.80 0.76 -0.01 2.90 2.85 -1.26 -2.42 118.16 116.19 2k9f n LYS 116 Ca 0.14 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.46 2k9f n LYS 116 Cb 0.60 -1.12 -0.10 0.00 -0.65 0.00 0.00 35.03 33.76 2k9f n LYS 116 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2k9f n ASP 117 N -0.62 2.08 0.00 -5.58 2.03 -1.26 -4.64 116.55 108.56 2k9f n ASP 117 Ca 0.04 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k9f n ASP 117 Cb 0.02 1.54 0.00 0.00 -0.72 0.00 0.00 41.12 41.96 2k9f n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k9f n GLY 118 N 1.77 0.75 3.95 0.27 0.00 -1.01 -5.05 105.19 105.86 2k9f n GLY 118 Ca -0.02 0.00 -0.20 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 -1.58 6.04 -0.07 1.61 -4.77 -1.26 -4.86 116.67 111.79 2k9f s ASP 119 Ca 0.00 -0.09 -0.30 0.00 -3.30 0.00 0.00 52.55 48.86 2k9f s ASP 119 Cb 0.00 -1.53 -0.04 0.00 -1.09 0.00 0.00 42.92 40.26 2k9f s ASP 119 CO 0.00 -0.21 1.41 -0.69 0.70 0.00 0.00 175.17 176.37 2k9f s VAL 120 N -2.09 3.89 -0.23 2.11 1.01 -1.26 -0.17 120.40 123.66 2k9f s VAL 120 Ca 0.38 1.17 -0.13 0.00 0.00 0.00 0.00 61.98 63.40 2k9f s VAL 120 Cb -0.09 -3.75 -0.17 0.00 0.00 0.00 0.00 36.38 32.37 2k9f s VAL 120 CO 0.29 -0.06 -0.05 1.67 0.00 0.00 0.00 175.10 176.95 2k9f n GLN 121 N 6.18 0.62 -3.69 2.72 7.27 0.11 -4.81 117.38 125.78 2k9f n GLN 121 Ca 0.14 0.34 -0.13 0.00 0.07 0.00 0.00 57.00 57.43 2k9f n GLN 121 Cb 0.44 -1.61 -0.07 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 -2.47 0.88 -0.10 3.69 6.06 -0.81 -5.03 118.95 121.17 2k9f s ARG 122 Ca -0.33 -0.36 0.01 0.00 -2.50 0.00 0.00 55.73 52.55 2k9f s ARG 122 Cb 0.10 0.39 0.02 0.00 0.06 0.00 0.00 34.95 35.52 2k9f s ARG 122 CO 0.58 -0.29 -0.11 -1.50 -2.50 0.00 0.00 175.30 171.48 2k9f s ILE 123 N -2.35 1.17 -0.07 4.11 1.10 -1.26 -0.69 121.20 123.20 2k9f s ILE 123 Ca -0.06 -0.42 0.02 0.00 -0.51 0.00 0.00 60.65 59.68 2k9f s ILE 123 Cb -0.01 -1.12 -0.02 0.00 0.15 0.00 0.00 42.46 41.45 2k9f s ILE 123 CO -0.02 0.38 -0.13 -0.69 -2.11 0.00 0.00 174.94 172.38 2k9f s VAL 124 N 1.27 3.18 -0.03 4.00 1.01 0.06 -4.99 120.40 124.89 2k9f s VAL 124 Ca -0.03 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 2k9f s VAL 124 Cb -0.14 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 33.97 2k9f s VAL 124 CO -0.04 0.57 0.07 -0.54 0.00 0.00 0.00 175.10 175.17 2k9f s LYS 125 N -0.45 0.08 0.00 2.72 1.02 -1.26 -0.65 119.74 121.19 2k9f s LYS 125 Ca 0.06 0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.16 2k9f s LYS 125 Cb -0.12 0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.21 2k9f s LYS 125 CO 0.02 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 2k9f n GLY 126 N 3.15 2.01 3.20 -3.33 0.00 -1.06 -5.02 105.19 104.14 2k9f n GLY 126 Ca -0.14 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.04 -0.02 1.61 0.01 -1.26 -4.05 113.70 105.95 2k9f s SER 127 Ca 0.00 -0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.04 2k9f s SER 127 Cb 0.00 0.30 0.01 0.00 0.21 0.00 0.00 66.02 66.54 2k9f s SER 127 CO 0.00 -0.53 -0.03 0.27 0.41 0.00 0.00 173.24 173.36 2k9f s ILE 128 N -2.19 0.30 0.50 1.44 -5.25 -1.26 -5.09 121.20 109.65 2k9f s ILE 128 Ca -0.08 -0.09 0.01 0.00 -0.99 0.00 0.00 60.65 59.51 2k9f s ILE 128 Cb -0.03 -0.30 -0.01 0.00 2.95 0.00 0.00 42.46 45.07 2k9f s ILE 128 CO -0.02 0.12 0.04 0.54 -1.79 0.00 0.00 174.94 173.83 2k9f s ASN 129 N 0.35 3.84 0.14 4.36 2.20 -1.26 -5.05 114.94 119.52 2k9f s ASN 129 Ca -0.03 -1.70 -0.14 0.00 -0.94 0.00 0.00 52.86 50.05 2k9f s ASN 129 Cb -0.07 0.62 0.01 0.00 -2.00 0.00 0.00 41.25 39.82 2k9f s ASN 129 CO -0.01 -0.92 1.65 -0.08 -2.94 0.00 0.00 177.10 174.80 2k9f h GLU 130 N 1.41 0.74 -0.63 3.55 4.81 -2.01 -2.13 114.58 120.32 2k9f h GLU 130 Ca -0.41 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 58.64 2k9f h GLU 130 Cb 1.31 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 2k9f h GLU 130 CO 0.69 0.73 0.41 0.00 -0.73 0.00 0.00 179.01 180.11 2k9f h ALA 131 N 0.98 0.79 -0.68 2.92 0.00 -1.99 -1.59 119.26 119.69 2k9f h ALA 131 Ca 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2k9f h ALA 131 Cb 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2k9f h ALA 131 CO 0.00 0.23 0.32 1.96 0.00 0.00 0.00 179.25 181.76 2k9f h GLN 132 N 0.85 0.97 -0.09 0.00 4.20 -1.89 0.12 115.11 119.27 2k9f h GLN 132 Ca 0.23 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 2k9f h GLN 132 Cb -0.09 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.51 2k9f h GLN 132 CO -0.05 0.76 0.04 0.00 -0.67 0.00 0.00 178.83 178.91 2k9f h ALA 133 N 1.38 0.12 -0.29 3.87 0.00 -0.72 0.11 119.26 123.74 2k9f h ALA 133 Ca 0.24 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2k9f h ALA 133 Cb 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2k9f h ALA 133 CO -0.03 -0.30 -0.14 -0.07 0.00 0.00 0.00 179.25 178.71 2k9f h LEU 134 N -0.00 0.47 -0.40 0.00 3.38 -1.02 -1.96 115.31 115.78 2k9f h LEU 134 Ca 0.03 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2k9f h LEU 134 Cb 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2k9f h LEU 134 CO -0.00 0.64 0.03 0.00 0.09 0.00 0.00 178.44 179.20 2k9f h ALA 135 N 1.41 0.54 -0.01 1.53 0.00 -0.43 -2.28 119.26 120.02 2k9f h ALA 135 Ca 0.08 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2k9f h ALA 135 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2k9f h ALA 135 CO 0.03 0.29 -0.21 1.25 0.00 0.00 0.00 179.25 180.61 2k9f h LEU 136 N 0.53 0.01 -0.39 0.00 5.85 -0.44 0.34 115.31 121.21 2k9f h LEU 136 Ca 0.12 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 2k9f h LEU 136 Cb 0.43 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 2k9f h LEU 136 CO 0.01 0.22 -0.42 0.40 -0.34 0.00 0.00 178.44 178.32 2k9f h ILE 137 N 0.01 1.27 0.22 4.05 2.04 -1.04 -2.85 117.51 121.23 2k9f h ILE 137 Ca 0.00 -1.60 -0.32 0.00 1.00 0.00 0.00 64.86 63.94 2k9f h ILE 137 Cb 0.38 1.44 0.03 0.00 -0.74 0.00 0.00 36.82 37.93 2k9f h ILE 137 CO 0.03 0.53 -1.42 0.03 0.00 0.00 0.00 178.15 177.32 2k9f h ARG 138 N 0.73 0.50 -1.86 2.37 3.08 -0.84 -3.44 114.38 114.92 2k9f h ARG 138 Ca 0.05 -0.83 -0.21 0.00 0.07 0.00 0.00 59.98 59.06 2k9f h ARG 138 Cb 1.01 0.31 -0.30 0.00 0.08 0.00 0.00 29.97 31.07 2k9f h ARG 138 CO 0.10 1.40 -0.54 0.34 -1.07 0.00 0.00 179.97 180.20 2k9f s ASP 139 N -7.49 0.60 0.00 7.04 -1.08 0.11 -5.00 116.67 110.84 2k9f s ASP 139 Ca -0.08 -0.27 0.18 0.00 -0.52 0.00 0.00 52.55 51.86 2k9f s ASP 139 Cb 0.05 0.99 1.07 0.00 -1.46 0.00 0.00 42.92 43.57 2k9f s ASP 139 CO 0.94 -0.34 1.55 -0.81 0.52 0.00 0.00 175.17 177.02 2k9f n PRO 140 N 5.35 0.79 0.02 4.34 -0.04 -1.08 -2.72 135.00 141.65 2k9f n PRO 140 Ca -0.01 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.57 2k9f n PRO 140 Cb 0.49 -1.36 0.19 0.00 -0.04 0.00 0.00 33.50 32.78 2k9f n PRO 140 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2k9f n ASN 141 N -0.86 0.57 -4.56 3.54 3.02 -1.26 -4.79 115.26 110.93 2k9f n ASN 141 Ca 0.13 -0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 54.09 2k9f n ASN 141 Cb 0.06 0.32 -0.07 0.00 -0.61 0.00 0.00 39.78 39.48 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 -3.07 3.43 0.48 5.41 0.00 -1.10 -5.06 121.76 121.86 2k9f s ALA 142 Ca 0.09 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.13 2k9f s ALA 142 Cb 0.16 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 20.12 2k9f s ALA 142 CO 0.72 -1.42 0.66 0.34 0.00 0.00 0.00 175.76 176.06 2k9f s ASP 143 N 1.84 5.48 0.00 0.00 -1.08 -1.26 -4.82 116.67 116.83 2k9f s ASP 143 Ca 0.23 -0.23 0.00 0.00 -0.52 0.00 0.00 52.55 52.03 2k9f s ASP 143 Cb -0.15 -0.75 0.00 0.00 -1.46 0.00 0.00 42.92 40.56 2k9f s ASP 143 CO 0.16 -0.94 0.00 0.00 0.52 0.00 0.00 175.17 174.91