#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9h s VAL 2 N 0.00 0.66 0.13 3.17 0.11 -1.26 -3.99 120.40 119.22 2i9h s VAL 2 Ca 0.00 -0.34 -0.12 0.00 -2.93 0.00 0.00 61.98 58.59 2i9h s VAL 2 Cb 0.00 -0.57 0.01 0.00 -1.53 0.00 0.00 36.38 34.29 2i9h s VAL 2 CO 0.00 0.20 0.31 -0.89 -3.33 0.00 0.00 175.10 171.39 2i9h s THR 3 N -0.06 0.09 0.62 5.04 2.01 -1.20 -5.02 115.64 117.12 2i9h s THR 3 Ca 0.01 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.07 2i9h s THR 3 Cb -0.05 -1.42 0.11 0.00 0.01 0.00 0.00 72.50 71.15 2i9h s THR 3 CO -0.00 -0.41 0.85 0.00 -0.69 0.00 0.00 174.62 174.37 2i9h n GLN 4 N -0.18 0.33 -3.69 4.92 6.02 -1.26 0.12 117.38 123.64 2i9h n GLN 4 Ca -0.13 -2.85 -0.30 0.00 -0.01 0.00 0.00 57.00 53.71 2i9h n GLN 4 Cb 0.63 -0.40 -0.14 0.00 1.02 0.00 0.00 30.24 31.35 2i9h n GLN 4 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2i9h s PHE 5 N -2.68 1.65 -0.45 1.08 0.08 0.34 -4.66 117.98 113.34 2i9h s PHE 5 Ca 0.61 -1.91 0.23 0.00 0.12 0.00 0.00 56.93 55.98 2i9h s PHE 5 Cb -0.04 -1.66 0.35 0.00 -0.57 0.00 0.00 43.02 41.10 2i9h s PHE 5 CO 0.39 -0.84 1.58 0.87 -0.10 0.00 0.00 175.22 177.12 2i9h h LYS 6 N 7.58 0.00 -3.86 0.44 1.79 -1.91 -2.92 116.57 117.68 2i9h h LYS 6 Ca -0.08 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 57.95 2i9h h LYS 6 Cb 0.98 0.00 -0.37 0.00 -1.58 0.00 0.00 32.23 31.27 2i9h h LYS 6 CO 0.45 0.00 -0.77 0.95 -1.08 0.00 0.00 179.45 179.00 2i9h s THR 7 N -3.21 0.51 0.60 -0.16 -4.23 -1.26 -4.61 115.64 103.28 2i9h s THR 7 Ca 0.07 -0.00 0.29 0.00 -1.18 0.00 0.00 61.69 60.86 2i9h s THR 7 Cb 0.06 -0.61 0.38 0.00 1.34 0.00 0.00 72.50 73.66 2i9h s THR 7 CO 0.67 0.27 1.85 0.00 -0.54 0.00 0.00 174.62 176.87 2i9h h ALA 8 N 7.98 2.17 0.00 3.99 0.00 -1.96 0.43 119.26 131.89 2i9h h ALA 8 Ca -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2i9h h ALA 8 Cb 1.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2i9h h ALA 8 CO 0.34 -0.77 0.00 1.03 0.00 0.00 0.00 179.25 179.85 2i9h h SER 9 N 0.00 0.00 0.05 0.00 0.87 -1.98 -0.46 113.55 112.03 2i9h h SER 9 Ca 0.22 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.48 2i9h h SER 9 Cb 1.27 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.20 2i9h h SER 9 CO -0.00 0.00 -1.63 -0.62 -0.53 0.00 0.00 176.83 174.05 2i9h n GLU 10 N -2.64 0.65 0.25 2.24 1.02 0.15 -4.17 120.64 118.14 2i9h n GLU 10 Ca -0.02 0.43 0.13 0.00 -0.02 0.00 0.00 57.16 57.68 2i9h n GLU 10 Cb 0.06 -1.72 0.60 0.00 -0.02 0.00 0.00 31.44 30.36 2i9h n GLU 10 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2i9h h PHE 11 N -0.55 0.00 -1.00 -0.32 3.57 -1.50 -3.02 116.94 114.13 2i9h h PHE 11 Ca -0.40 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.17 2i9h h PHE 11 Cb 1.62 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 40.30 2i9h h PHE 11 CO 0.08 0.15 0.65 0.22 -2.23 0.00 0.00 178.31 177.18 2i9h h ASP 12 N 0.00 1.04 1.05 0.41 3.58 -1.26 -2.20 116.42 119.04 2i9h h ASP 12 Ca -0.00 0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.34 2i9h h ASP 12 Cb 0.57 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 2i9h h ASP 12 CO 0.02 0.67 -1.01 -1.28 -2.88 0.00 0.00 179.24 174.76 2i9h h SER 13 N 1.18 0.00 -0.91 2.28 0.87 -1.73 -3.20 113.55 112.03 2i9h h SER 13 Ca 0.43 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 61.07 2i9h h SER 13 Cb 0.16 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.05 2i9h h SER 13 CO -0.17 0.45 0.59 0.00 -0.53 0.00 0.00 176.83 177.17 2i9h h ALA 14 N 1.55 1.54 0.01 6.23 0.00 -1.29 -3.13 119.26 124.17 2i9h h ALA 14 Ca -0.08 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 2i9h h ALA 14 Cb 1.41 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2i9h h ALA 14 CO 0.04 0.31 -0.92 -0.84 0.00 0.00 0.00 179.25 177.84 2i9h h ILE 15 N 1.00 1.17 -0.35 0.00 3.07 -1.66 -3.42 117.51 117.32 2i9h h ILE 15 Ca 0.40 -2.25 -0.51 0.00 1.55 0.00 0.00 64.86 64.06 2i9h h ILE 15 Cb 0.26 2.59 -0.07 0.00 -0.27 0.00 0.00 36.82 39.34 2i9h h ILE 15 CO -0.16 0.43 1.71 0.00 -1.05 0.00 0.00 178.15 179.08 2i9h n ALA 16 N -3.15 0.41 -3.07 0.16 0.00 -1.19 0.28 120.51 113.95 2i9h n ALA 16 Ca -0.25 -0.39 -0.00 0.00 0.00 0.00 0.00 53.44 52.80 2i9h n ALA 16 Cb 0.65 -2.46 -0.00 0.00 0.00 0.00 0.00 19.45 17.63 2i9h n ALA 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2i9h n GLN 17 N 8.56 -1.09 -1.90 0.00 6.02 -1.26 -4.66 117.38 123.05 2i9h n GLN 17 Ca 0.59 1.28 -0.01 0.00 -0.01 0.00 0.00 57.00 58.86 2i9h n GLN 17 Cb 0.14 -2.07 0.04 0.00 1.02 0.00 0.00 30.24 29.36 2i9h n GLN 17 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2i9h n ASP 18 N 1.17 -0.50 0.00 1.08 -0.08 -1.20 -4.90 116.55 112.12 2i9h n ASP 18 Ca -0.00 -1.40 0.00 0.00 -1.51 0.00 0.00 54.79 51.87 2i9h n ASP 18 Cb 0.37 0.25 0.00 0.00 2.34 0.00 0.00 41.12 44.08 2i9h n ASP 18 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2i9h n LYS 19 N -0.50 0.00 -3.48 -0.67 4.01 -1.26 -4.57 118.16 111.70 2i9h n LYS 19 Ca -0.06 0.00 -0.39 0.00 -0.51 0.00 0.00 58.31 57.34 2i9h n LYS 19 Cb 0.62 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 35.04 2i9h n LYS 19 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2i9h s LEU 20 N 0.00 4.23 -0.13 -0.35 2.96 -1.26 -3.12 118.68 121.01 2i9h s LEU 20 Ca 0.00 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.77 2i9h s LEU 20 Cb 0.00 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 2i9h s LEU 20 CO 0.00 -0.19 0.10 -0.69 -1.32 0.00 0.00 176.35 174.25 2i9h s VAL 21 N 1.90 5.20 -0.90 1.68 1.01 -1.04 -2.69 120.40 125.56 2i9h s VAL 21 Ca 0.10 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.05 2i9h s VAL 21 Cb -0.16 -3.28 0.23 0.00 0.00 0.00 0.00 36.38 33.18 2i9h s VAL 21 CO 0.11 0.58 0.86 -0.69 0.00 0.00 0.00 175.10 175.95 2i9h s VAL 22 N -0.67 5.71 -0.27 2.92 1.01 0.27 -3.28 120.40 126.10 2i9h s VAL 22 Ca 0.12 -2.72 -0.11 0.00 0.00 0.00 0.00 61.98 59.28 2i9h s VAL 22 Cb -0.12 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.71 2i9h s VAL 22 CO 0.02 -1.07 0.18 -0.69 0.00 0.00 0.00 175.10 173.55 2i9h s VAL 23 N -0.20 5.32 -0.16 2.92 1.01 -0.79 -2.00 120.40 126.51 2i9h s VAL 23 Ca 0.21 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.29 2i9h s VAL 23 Cb -0.10 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2i9h s VAL 23 CO -0.09 0.28 0.13 -0.62 0.00 0.00 0.00 175.10 174.81 2i9h s ASP 24 N 1.53 6.29 -0.87 3.32 -1.08 -1.20 -0.77 116.67 123.89 2i9h s ASP 24 Ca 0.07 0.34 -0.02 0.00 -0.52 0.00 0.00 52.55 52.42 2i9h s ASP 24 Cb -0.15 -2.08 0.32 0.00 -1.46 0.00 0.00 42.92 39.55 2i9h s ASP 24 CO 0.09 0.28 2.04 0.49 0.52 0.00 0.00 175.17 178.59 2i9h n PHE 25 N 2.85 2.84 -1.63 -5.34 3.01 0.12 0.13 117.46 119.44 2i9h n PHE 25 Ca -0.18 -2.36 -0.45 0.00 1.01 0.00 0.00 57.45 55.48 2i9h n PHE 25 Cb 0.53 -1.22 -0.02 0.00 -0.01 0.00 0.00 39.48 38.77 2i9h n PHE 25 CO 0.00 0.00 0.00 2.48 1.01 0.00 0.00 176.76 180.25 2i9h n TYR 26 N -0.30 1.65 -2.17 1.38 0.18 -1.24 -4.10 117.16 112.56 2i9h n TYR 26 Ca 0.52 0.62 -0.41 0.00 1.88 0.00 0.00 57.90 60.51 2i9h n TYR 26 Cb 0.26 -2.33 -0.03 0.00 -0.38 0.00 0.00 39.34 36.86 2i9h n TYR 26 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2i9h s ALA 27 N -0.74 3.51 -0.23 -3.48 0.00 -1.26 -3.49 121.76 116.07 2i9h s ALA 27 Ca 0.62 1.19 0.18 0.00 0.00 0.00 0.00 51.96 53.95 2i9h s ALA 27 Cb -0.69 -3.47 0.99 0.00 0.00 0.00 0.00 23.12 19.95 2i9h s ALA 27 CO 0.57 -0.57 1.53 -2.37 0.00 0.00 0.00 175.76 174.92 2i9h n THR 28 N 1.46 1.04 0.00 0.00 5.66 -1.26 -4.51 114.28 116.66 2i9h n THR 28 Ca 0.02 0.72 0.00 0.00 -3.05 0.00 0.00 64.05 61.74 2i9h n THR 28 Cb 0.42 -1.72 0.00 0.00 -1.55 0.00 0.00 70.33 67.48 2i9h n THR 28 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 2i9h n TRP 29 N -2.15 0.00 0.00 1.09 4.27 -1.26 -4.92 117.44 114.47 2i9h n TRP 29 Ca -0.01 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.60 2i9h n TRP 29 Cb 0.09 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.04 2i9h n TRP 29 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2i9h n GLY 31 N 0.00 0.43 0.30 0.00 0.00 -1.26 -4.93 105.19 99.74 2i9h n GLY 31 Ca 0.00 -0.06 0.18 0.00 0.00 0.00 0.00 46.02 46.14 2i9h n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i9h h PRO 32 N 0.00 0.00 -0.76 1.61 0.13 -1.98 -2.90 132.00 128.10 2i9h h PRO 32 Ca 0.00 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.35 2i9h h PRO 32 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2i9h h PRO 32 CO 0.00 0.03 0.67 0.00 -0.23 0.00 0.00 178.00 178.46 2i9h h LYS 34 N 0.00 0.00 0.00 0.00 6.56 -1.83 -3.05 116.57 118.25 2i9h h LYS 34 Ca 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.95 2i9h h LYS 34 Cb 1.69 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.35 2i9h h LYS 34 CO -0.00 0.73 0.00 -1.33 -2.06 0.00 0.00 179.45 176.79 2i9h n MET 35 N -3.42 0.83 0.14 3.15 2.81 0.16 -2.93 117.12 117.86 2i9h n MET 35 Ca 0.00 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.00 2i9h n MET 35 Cb 0.78 -1.28 0.05 0.00 -0.71 0.00 0.00 33.22 32.06 2i9h n MET 35 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2i9h h ILE 36 N 0.00 0.05 -0.76 2.02 2.04 -1.50 -3.36 117.51 116.00 2i9h h ILE 36 Ca 0.00 -1.09 0.13 0.00 1.00 0.00 0.00 64.86 64.91 2i9h h ILE 36 Cb 0.00 1.72 -0.09 0.00 -0.74 0.00 0.00 36.82 37.71 2i9h h ILE 36 CO 0.00 0.03 0.33 0.00 0.00 0.00 0.00 178.15 178.51 2i9h h ALA 37 N 1.96 1.07 -0.12 1.87 0.00 -1.74 0.52 119.26 122.83 2i9h h ALA 37 Ca -0.01 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 2i9h h ALA 37 Cb 1.04 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2i9h h ALA 37 CO 0.00 -0.17 -0.64 -1.00 0.00 0.00 0.00 179.25 177.45 2i9h h PRO 38 N 0.49 0.44 0.15 0.00 0.13 -1.84 -2.91 132.00 128.46 2i9h h PRO 38 Ca 0.41 -0.32 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 2i9h h PRO 38 Cb 0.58 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2i9h h PRO 38 CO -0.37 0.93 -0.07 1.98 -0.23 0.00 0.00 178.00 180.24 2i9h h MET 39 N 0.32 -0.20 -0.85 0.86 1.85 -1.41 -2.01 114.93 113.50 2i9h h MET 39 Ca -0.01 0.01 0.25 0.00 -0.61 0.00 0.00 59.70 59.34 2i9h h MET 39 Cb 1.19 0.05 -0.03 0.00 0.43 0.00 0.00 31.60 33.23 2i9h h MET 39 CO 0.11 0.10 0.69 0.82 -0.40 0.00 0.00 176.91 178.23 2i9h h ILE 40 N -0.50 0.42 0.03 1.77 2.04 -0.02 0.68 117.51 121.94 2i9h h ILE 40 Ca -0.02 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.59 2i9h h ILE 40 Cb 0.39 0.50 0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2i9h h ILE 40 CO 0.03 0.00 -1.03 -0.08 0.00 0.00 0.00 178.15 177.08 2i9h h GLU 41 N 0.00 0.44 -0.02 2.37 4.81 -1.23 -3.13 114.58 117.83 2i9h h GLU 41 Ca 0.40 -0.52 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2i9h h GLU 41 Cb 1.78 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 31.32 2i9h h GLU 41 CO -0.00 1.18 0.08 0.87 -0.73 0.00 0.00 179.01 180.40 2i9h h LYS 42 N 0.23 0.00 0.00 1.92 1.57 0.11 0.32 116.57 120.72 2i9h h LYS 42 Ca -0.10 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 2i9h h LYS 42 Cb 1.68 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.98 2i9h h LYS 42 CO 0.18 0.00 -1.17 1.19 -0.57 0.00 0.00 179.45 179.08 2i9h n PHE 43 N -3.25 0.98 0.28 -1.35 3.01 -1.12 -3.84 117.46 112.17 2i9h n PHE 43 Ca -0.02 0.30 0.07 0.00 1.01 0.00 0.00 57.45 58.80 2i9h n PHE 43 Cb 0.15 -1.01 0.30 0.00 -0.01 0.00 0.00 39.48 38.91 2i9h n PHE 43 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2i9h n SER 44 N -2.76 0.23 0.08 4.37 2.88 0.10 -1.74 113.62 116.77 2i9h n SER 44 Ca -0.04 0.58 0.02 0.00 -1.33 0.00 0.00 58.87 58.09 2i9h n SER 44 Cb 0.67 -0.62 -0.04 0.00 -0.75 0.00 0.00 64.21 63.47 2i9h n SER 44 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2i9h h GLU 45 N 0.00 0.00 0.00 -1.46 5.08 -1.66 -2.93 114.58 113.61 2i9h h GLU 45 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 2i9h h GLU 45 Cb 0.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2i9h h GLU 45 CO 0.00 0.36 -1.62 1.04 -1.00 0.00 0.00 179.01 177.78 2i9h n GLN 46 N -3.00 0.63 -2.33 2.33 6.02 -0.71 -4.35 117.38 115.97 2i9h n GLN 46 Ca -0.05 0.27 -0.23 0.00 -0.01 0.00 0.00 57.00 56.99 2i9h n GLN 46 Cb 0.78 -1.80 0.01 0.00 1.02 0.00 0.00 30.24 30.26 2i9h n GLN 46 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2i9h n TYR 47 N -2.99 2.84 -0.55 1.08 4.01 -1.00 -4.90 117.16 115.65 2i9h n TYR 47 Ca -0.15 -2.66 0.43 0.00 -0.16 0.00 0.00 57.90 55.36 2i9h n TYR 47 Cb 0.99 -0.22 0.69 0.00 -0.31 0.00 0.00 39.34 40.48 2i9h n TYR 47 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2i9h n PRO 48 N -0.55 -0.02 -0.14 -0.72 -0.02 -1.10 0.16 135.00 132.62 2i9h n PRO 48 Ca 0.37 1.05 -0.03 0.00 -2.02 0.00 0.00 63.50 62.87 2i9h n PRO 48 Cb 0.81 -2.25 0.19 0.00 -0.02 0.00 0.00 33.50 32.22 2i9h n PRO 48 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2i9h h GLN 49 N 0.00 0.84 -6.16 -0.52 1.08 -1.90 -3.42 115.11 105.03 2i9h h GLN 49 Ca 0.83 -0.17 -0.58 0.00 -1.45 0.00 0.00 58.65 57.28 2i9h h GLN 49 Cb 3.04 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 30.29 2i9h h GLN 49 CO -0.20 0.75 -0.06 0.00 -0.95 0.00 0.00 178.83 178.37 2i9h s ALA 50 N -5.23 3.58 -0.14 3.87 0.00 0.44 -4.73 121.76 119.55 2i9h s ALA 50 Ca -0.10 -0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.65 2i9h s ALA 50 Cb 0.16 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 2i9h s ALA 50 CO 0.80 0.36 0.58 -0.51 0.00 0.00 0.00 175.76 176.99 2i9h s ASP 51 N -0.89 6.74 -0.94 0.00 1.01 -1.09 -4.89 116.67 116.60 2i9h s ASP 51 Ca 0.28 0.89 -0.13 0.00 0.71 0.00 0.00 52.55 54.30 2i9h s ASP 51 Cb -0.19 -2.34 0.23 0.00 1.01 0.00 0.00 42.92 41.63 2i9h s ASP 51 CO 0.18 -0.14 0.94 -0.36 0.21 0.00 0.00 175.17 175.99 2i9h s PHE 52 N 1.21 3.85 0.38 4.23 0.40 -1.26 0.96 117.98 127.77 2i9h s PHE 52 Ca 0.29 -2.16 0.03 0.00 -0.60 0.00 0.00 56.93 54.49 2i9h s PHE 52 Cb -0.16 -3.89 0.07 0.00 0.51 0.00 0.00 43.02 39.55 2i9h s PHE 52 CO 0.12 -1.04 0.53 0.66 0.70 0.00 0.00 175.22 176.19 2i9h n TYR 53 N 3.89 -2.83 -3.74 0.36 4.01 -0.85 -3.24 117.16 114.75 2i9h n TYR 53 Ca 0.19 -1.16 -0.13 0.00 -0.16 0.00 0.00 57.90 56.65 2i9h n TYR 53 Cb 0.45 -0.38 -0.11 0.00 -0.31 0.00 0.00 39.34 39.00 2i9h n TYR 53 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2i9h s LYS 54 N -3.76 0.41 -0.16 -0.72 1.02 0.33 -3.22 119.74 113.64 2i9h s LYS 54 Ca 0.38 0.53 -0.15 0.00 0.02 0.00 0.00 55.97 56.75 2i9h s LYS 54 Cb -0.03 0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 37.41 2i9h s LYS 54 CO 0.24 -0.06 0.33 -1.17 -0.92 0.00 0.00 175.35 173.77 2i9h s LEU 55 N 0.34 4.24 -0.45 3.17 1.98 0.35 0.13 118.68 128.44 2i9h s LEU 55 Ca -0.01 0.56 -0.24 0.00 -2.89 0.00 0.00 54.13 51.55 2i9h s LEU 55 Cb -0.03 -2.44 0.02 0.00 0.66 0.00 0.00 46.19 44.40 2i9h s LEU 55 CO -0.01 0.07 0.84 -1.81 -1.89 0.00 0.00 176.35 173.55 2i9h s ASP 56 N 0.55 6.46 0.00 3.68 1.01 -1.10 -3.70 116.67 123.57 2i9h s ASP 56 Ca 0.18 0.03 0.29 0.00 0.71 0.00 0.00 52.55 53.76 2i9h s ASP 56 Cb -0.13 -2.41 1.51 0.00 1.01 0.00 0.00 42.92 42.89 2i9h s ASP 56 CO 0.05 -0.95 2.01 0.52 0.21 0.00 0.00 175.17 177.01 2i9h n VAL 57 N 6.22 0.05 -0.07 -1.27 0.31 -1.23 -1.34 118.33 121.00 2i9h n VAL 57 Ca 0.04 0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.29 2i9h n VAL 57 Cb 0.48 -0.54 -0.06 0.00 -0.91 0.00 0.00 33.84 32.81 2i9h n VAL 57 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2i9h h ASP 58 N 0.00 0.00 1.10 4.52 3.58 -1.90 -3.23 116.42 120.49 2i9h h ASP 58 Ca 0.00 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2i9h h ASP 58 Cb 0.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2i9h h ASP 58 CO 0.00 0.91 -0.63 -0.08 -2.88 0.00 0.00 179.24 176.56 2i9h h GLU 59 N -1.00 0.00 -2.01 0.28 4.57 -1.87 -3.37 114.58 111.17 2i9h h GLU 59 Ca -0.08 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.56 2i9h h GLU 59 Cb 0.66 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 28.84 2i9h h GLU 59 CO -0.05 0.00 -0.85 1.28 -1.18 0.00 0.00 179.01 178.21 2i9h n LEU 60 N -2.45 3.27 0.20 1.64 4.32 -0.45 -4.87 117.00 118.67 2i9h n LEU 60 Ca 0.02 -5.29 0.14 0.00 -0.02 0.00 0.00 56.01 50.86 2i9h n LEU 60 Cb 0.49 -0.11 0.70 0.00 -1.62 0.00 0.00 43.42 42.87 2i9h n LEU 60 CO 0.37 2.27 0.91 1.23 -1.22 0.00 0.00 177.39 180.95 2i9h h GLY 61 N 2.93 0.00 2.00 -0.72 0.00 -1.73 -1.67 103.07 103.88 2i9h h GLY 61 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.26 2i9h h GLY 61 CO 0.71 0.00 -0.96 -0.55 0.00 0.00 0.00 176.54 175.74 2i9h h ASP 62 N 0.00 0.00 0.84 0.19 3.32 -1.89 -2.98 116.42 115.90 2i9h h ASP 62 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 2i9h h ASP 62 Cb 0.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2i9h h ASP 62 CO 0.00 0.96 -0.51 0.58 -1.72 0.00 0.00 179.24 178.55 2i9h h VAL 63 N 0.00 1.12 0.00 -1.35 2.07 -1.67 0.94 116.25 117.36 2i9h h VAL 63 Ca -0.01 -1.91 -0.14 0.00 0.82 0.00 0.00 66.70 65.45 2i9h h VAL 63 Cb 1.74 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 33.59 2i9h h VAL 63 CO 0.12 0.50 -0.68 0.00 0.02 0.00 0.00 177.57 177.53 2i9h h ALA 64 N 1.49 0.56 0.01 1.67 0.00 -1.59 -3.16 119.26 118.23 2i9h h ALA 64 Ca -0.01 -0.62 -0.30 0.00 0.00 0.00 0.00 54.91 53.98 2i9h h ALA 64 Cb 1.07 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 2i9h h ALA 64 CO 0.07 0.85 -1.75 1.04 0.00 0.00 0.00 179.25 179.46 2i9h n GLN 65 N -3.27 0.65 -0.04 0.00 1.13 -1.07 0.22 117.38 115.00 2i9h n GLN 65 Ca 0.01 0.29 -0.10 0.00 -1.94 0.00 0.00 57.00 55.26 2i9h n GLN 65 Cb 0.81 -1.78 -0.04 0.00 0.11 0.00 0.00 30.24 29.34 2i9h n GLN 65 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 2i9h h LYS 66 N 0.01 0.26 -0.04 -1.09 2.10 0.85 -1.37 116.57 117.29 2i9h h LYS 66 Ca -0.30 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 2i9h h LYS 66 Cb 2.02 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 33.30 2i9h h LYS 66 CO 0.08 0.18 0.00 0.09 -2.00 0.00 0.00 179.45 177.80 2i9h n ASN 67 N -4.94 0.78 -2.53 7.07 3.02 -1.20 -4.91 115.26 112.55 2i9h n ASN 67 Ca -0.03 -1.37 -0.17 0.00 -0.03 0.00 0.00 54.58 52.97 2i9h n ASN 67 Cb 0.04 -0.02 0.04 0.00 -0.61 0.00 0.00 39.78 39.23 2i9h n ASN 67 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2i9h n GLU 68 N -0.34 -4.80 -3.46 3.52 1.02 -0.52 -4.97 120.64 111.09 2i9h n GLU 68 Ca 0.19 0.64 -0.34 0.00 -0.02 0.00 0.00 57.16 57.62 2i9h n GLU 68 Cb 0.22 -5.00 -0.06 0.00 -0.02 0.00 0.00 31.44 26.58 2i9h n GLU 68 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2i9h n VAL 69 N -4.27 3.24 1.17 2.62 0.31 0.59 -4.82 118.33 117.19 2i9h n VAL 69 Ca -0.04 -5.30 0.09 0.00 -0.01 0.00 0.00 64.34 59.08 2i9h n VAL 69 Cb 0.57 -2.23 0.33 0.00 -0.91 0.00 0.00 33.84 31.60 2i9h n VAL 69 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2i9h n SER 70 N 1.66 1.66 -3.97 4.52 3.41 -1.23 -4.60 113.62 115.08 2i9h n SER 70 Ca 0.25 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.09 2i9h n SER 70 Cb 0.37 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 2i9h n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i9h n ALA 71 N 0.34 0.00 -2.91 7.33 0.00 -1.26 -4.97 120.51 119.03 2i9h n ALA 71 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.62 2i9h n ALA 71 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2i9h n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i9h s MET 72 N 0.00 0.19 0.00 0.00 0.23 -1.26 -4.28 119.30 114.18 2i9h s MET 72 Ca 0.00 -0.00 0.00 0.00 -1.03 0.00 0.00 55.69 54.66 2i9h s MET 72 Cb 0.00 0.04 0.00 0.00 -1.53 0.00 0.00 34.83 33.34 2i9h s MET 72 CO 0.00 -0.29 0.00 -0.35 -2.03 0.00 0.00 175.02 172.35 2i9h n PRO 73 N 4.17 2.83 -3.58 3.16 -0.04 -1.26 -4.85 135.00 135.43 2i9h n PRO 73 Ca 0.07 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.36 2i9h n PRO 73 Cb 0.61 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.01 2i9h n PRO 73 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2i9h s THR 74 N 1.64 0.01 -0.20 0.52 2.01 -1.26 -3.43 115.64 114.93 2i9h s THR 74 Ca 0.00 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 2i9h s THR 74 Cb 0.00 -0.93 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 2i9h s THR 74 CO 0.00 -0.04 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.11 2i9h s LEU 75 N -0.97 3.11 -0.10 4.42 1.43 -1.07 -0.70 118.68 124.80 2i9h s LEU 75 Ca -0.10 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2i9h s LEU 75 Cb -0.02 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.42 2i9h s LEU 75 CO 0.08 0.04 -0.20 -0.76 0.23 0.00 0.00 176.35 175.74 2i9h s LEU 76 N 1.14 1.94 0.01 1.79 1.43 0.05 -1.79 118.68 123.24 2i9h s LEU 76 Ca 0.02 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 2i9h s LEU 76 Cb -0.14 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 2i9h s LEU 76 CO 0.01 0.10 -0.05 -0.76 0.23 0.00 0.00 176.35 175.88 2i9h s LEU 77 N 0.54 3.28 -0.09 1.79 1.02 -0.64 -1.88 118.68 122.69 2i9h s LEU 77 Ca -0.15 -0.11 -0.04 0.00 0.02 0.00 0.00 54.13 53.85 2i9h s LEU 77 Cb -0.17 -1.89 0.05 0.00 0.02 0.00 0.00 46.19 44.20 2i9h s LEU 77 CO 0.05 0.28 0.20 -0.36 0.02 0.00 0.00 176.35 176.54 2i9h s PHE 78 N -1.04 -0.27 -0.11 0.29 0.08 -1.21 -1.93 117.98 113.80 2i9h s PHE 78 Ca 0.18 0.69 0.01 0.00 0.12 0.00 0.00 56.93 57.93 2i9h s PHE 78 Cb -0.11 -0.07 -0.02 0.00 -0.57 0.00 0.00 43.02 42.25 2i9h s PHE 78 CO 0.09 -0.24 -0.12 0.15 -0.10 0.00 0.00 175.22 174.99 2i9h s LYS 79 N 1.66 3.16 -1.32 0.44 1.02 -1.23 -2.49 119.74 120.99 2i9h s LYS 79 Ca -0.05 -0.67 -0.08 0.00 0.02 0.00 0.00 55.97 55.20 2i9h s LYS 79 Cb -0.11 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 2i9h s LYS 79 CO -0.07 0.34 0.52 0.09 -0.92 0.00 0.00 175.35 175.31 2i9h n ASN 80 N 3.16 -1.86 -0.97 2.83 4.13 -1.18 0.11 115.26 121.47 2i9h n ASN 80 Ca -0.18 -1.04 -0.12 0.00 1.68 0.00 0.00 54.58 54.92 2i9h n ASN 80 Cb 0.53 -3.01 -0.05 0.00 -1.54 0.00 0.00 39.78 35.70 2i9h n ASN 80 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2i9h n GLY 81 N -1.93 1.18 0.00 7.41 0.00 0.79 -3.99 105.19 108.65 2i9h n GLY 81 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2i9h n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i9h n LYS 82 N -1.05 3.83 -3.75 1.61 4.76 0.12 -4.66 118.16 119.01 2i9h n LYS 82 Ca -0.12 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.08 2i9h n LYS 82 Cb 0.60 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.76 2i9h n LYS 82 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2i9h s GLU 83 N 2.49 2.36 0.26 1.97 2.56 -1.26 -3.48 118.70 123.60 2i9h s GLU 83 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 54.97 53.19 2i9h s GLU 83 Cb 0.00 -2.22 0.00 0.00 2.00 0.00 0.00 34.13 33.91 2i9h s GLU 83 CO 0.00 -0.38 0.00 0.28 -0.56 0.00 0.00 175.26 174.60 2i9h n VAL 84 N -1.62 0.00 -3.58 3.70 0.31 -0.81 -3.54 118.33 112.78 2i9h n VAL 84 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.29 2i9h n VAL 84 Cb 0.63 -0.18 -0.02 0.00 -0.91 0.00 0.00 33.84 33.36 2i9h n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i9h s ALA 85 N -1.85 -1.92 -0.11 3.52 0.00 -1.22 -4.99 121.76 115.19 2i9h s ALA 85 Ca 0.00 1.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.94 2i9h s ALA 85 Cb 0.00 0.29 0.04 0.00 0.00 0.00 0.00 23.12 23.45 2i9h s ALA 85 CO 0.00 -0.76 0.06 -1.59 0.00 0.00 0.00 175.76 173.47 2i9h s LYS 86 N -2.85 0.18 -0.31 0.00 -2.85 -1.26 -1.63 119.74 111.02 2i9h s LYS 86 Ca 0.09 0.07 -0.02 0.00 -1.00 0.00 0.00 55.97 55.10 2i9h s LYS 86 Cb -0.00 -1.26 0.10 0.00 -2.06 0.00 0.00 37.83 34.61 2i9h s LYS 86 CO -0.05 -0.49 0.13 0.08 0.10 0.00 0.00 175.35 175.12 2i9h s VAL 87 N 2.09 0.38 -0.12 1.79 1.01 -0.74 -5.03 120.40 119.78 2i9h s VAL 87 Ca 0.03 -1.15 -0.32 0.00 0.00 0.00 0.00 61.98 60.54 2i9h s VAL 87 Cb -0.14 -1.30 -0.09 0.00 0.00 0.00 0.00 36.38 34.84 2i9h s VAL 87 CO -0.06 -0.73 2.02 0.55 0.00 0.00 0.00 175.10 176.88 2i9h n VAL 88 N 4.94 0.53 0.00 2.92 3.14 -1.26 -2.60 118.33 126.00 2i9h n VAL 88 Ca -0.03 -0.21 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 2i9h n VAL 88 Cb 0.41 -2.12 0.00 0.00 -1.06 0.00 0.00 33.84 31.07 2i9h n VAL 88 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2i9h n GLY 89 N 5.01 0.41 0.00 7.55 0.00 -1.22 -4.87 105.19 112.07 2i9h n GLY 89 Ca 0.26 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2i9h n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i9h n ALA 90 N -0.92 0.00 -2.16 4.61 0.00 -1.26 -4.01 120.51 116.76 2i9h n ALA 90 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2i9h n ALA 90 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2i9h n ALA 90 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2i9h s ASN 91 N 0.00 7.05 -0.71 0.00 0.01 -1.26 -4.81 114.94 115.23 2i9h s ASN 91 Ca 0.00 1.35 -0.14 0.00 -0.71 0.00 0.00 52.86 53.36 2i9h s ASN 91 Cb 0.00 -2.39 -0.18 0.00 0.41 0.00 0.00 41.25 39.08 2i9h s ASN 91 CO 0.00 0.10 1.90 -2.65 -1.51 0.00 0.00 177.10 174.94 2i9h n PRO 92 N 0.98 0.15 0.00 -0.60 -0.02 -1.26 -2.68 135.00 131.57 2i9h n PRO 92 Ca -0.04 -0.56 0.00 0.00 -2.02 0.00 0.00 63.50 60.87 2i9h n PRO 92 Cb 0.51 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2i9h n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2i9h n ALA 93 N 11.42 0.00 0.00 3.55 0.00 -1.26 -5.01 120.51 129.21 2i9h n ALA 93 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2i9h n ALA 93 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2i9h n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i9h n ALA 94 N -0.38 2.43 0.29 0.00 0.00 -1.09 -4.48 120.51 117.27 2i9h n ALA 94 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2i9h n ALA 94 Cb 0.00 0.41 0.53 0.00 0.00 0.00 0.00 19.45 20.40 2i9h n ALA 94 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2i9h h ILE 95 N 0.00 0.00 0.01 0.00 6.09 -1.88 0.95 117.51 122.68 2i9h h ILE 95 Ca 0.00 0.00 -0.28 0.00 -1.37 0.00 0.00 64.86 63.21 2i9h h ILE 95 Cb 0.83 0.43 -0.04 0.00 0.47 0.00 0.00 36.82 38.51 2i9h h ILE 95 CO 0.00 0.00 -1.53 2.29 -3.07 0.00 0.00 178.15 175.84 2i9h n LYS 96 N -2.58 0.58 0.10 2.19 2.85 -1.26 -3.97 118.16 116.07 2i9h n LYS 96 Ca -0.01 0.51 -0.02 0.00 -1.05 0.00 0.00 58.31 57.74 2i9h n LYS 96 Cb 0.49 -1.70 0.23 0.00 -0.65 0.00 0.00 35.03 33.40 2i9h n LYS 96 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 2i9h h GLN 97 N -0.95 0.20 0.00 -1.58 4.20 -1.35 -2.54 115.11 113.10 2i9h h GLN 97 Ca -0.42 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.18 2i9h h GLN 97 Cb 1.39 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.17 2i9h h GLN 97 CO -0.24 0.60 -0.06 0.00 -0.67 0.00 0.00 178.83 178.46 2i9h h ALA 98 N 1.38 1.67 0.00 3.87 0.00 0.67 -0.42 119.26 126.44 2i9h h ALA 98 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2i9h h ALA 98 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2i9h h ALA 98 CO 0.07 0.08 -0.59 -0.89 0.00 0.00 0.00 179.25 177.92 2i9h n ILE 99 N -4.14 0.09 0.00 0.00 5.41 -0.98 -3.87 119.36 115.89 2i9h n ILE 99 Ca -0.03 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.64 2i9h n ILE 99 Cb 0.15 0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.25 2i9h n ILE 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2i9h n ALA 100 N -1.61 0.00 -0.39 -1.39 0.00 -0.23 -2.12 120.51 114.78 2i9h n ALA 100 Ca 0.05 -0.08 0.39 0.00 0.00 0.00 0.00 53.44 53.80 2i9h n ALA 100 Cb 0.37 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.57 2i9h n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i9h h ALA 101 N -2.00 3.25 0.10 0.00 0.00 -1.64 0.12 119.26 119.09 2i9h h ALA 101 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 2i9h h ALA 101 Cb 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2i9h h ALA 101 CO 0.00 -1.69 -1.83 0.09 0.00 0.00 0.00 179.25 175.83 2i9h n ASN 102 N -4.04 2.07 -0.70 0.00 3.02 -1.25 -5.13 115.26 109.23 2i9h n ASN 102 Ca 0.29 0.26 0.09 0.00 -0.03 0.00 0.00 54.58 55.19 2i9h n ASN 102 Cb 1.42 -0.89 0.07 0.00 -0.61 0.00 0.00 39.78 39.77 2i9h n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64