#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 -0.01 0.01 1.12 0.11 -1.26 -3.94 120.40 116.43 2i9h s VAL 2 Ca 0.00 0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 58.95 2i9h s VAL 2 Cb 0.00 -0.43 0.02 0.00 -1.53 0.00 0.00 36.38 34.45 2i9h s VAL 2 CO 0.00 0.02 0.32 -0.89 -3.33 0.00 0.00 175.10 171.22 2i9h s THR 3 N 0.62 0.07 0.41 5.04 2.01 -1.24 -5.04 115.64 117.51 2i9h s THR 3 Ca -0.04 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.38 2i9h s THR 3 Cb -0.05 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 2i9h s THR 3 CO -0.04 -0.30 0.68 -1.10 -0.69 0.00 0.00 174.62 173.17 2i9h s GLN 4 N -1.87 3.55 -0.39 4.92 -1.52 -1.26 -0.49 119.66 122.60 2i9h s GLN 4 Ca -0.10 0.02 0.01 0.00 -1.95 0.00 0.00 55.36 53.34 2i9h s GLN 4 Cb -0.03 -2.50 0.11 0.00 -0.22 0.00 0.00 33.01 30.37 2i9h s GLN 4 CO 0.01 -0.03 0.15 -0.06 -0.25 0.00 0.00 175.29 175.11 2i9h s PHE 5 N -2.50 3.65 -0.06 0.91 0.08 0.01 -4.82 117.98 115.25 2i9h s PHE 5 Ca 0.45 -2.74 0.13 0.00 0.12 0.00 0.00 56.93 54.89 2i9h s PHE 5 Cb -0.10 -3.07 -0.13 0.00 -0.57 0.00 0.00 43.02 39.15 2i9h s PHE 5 CO 0.39 -0.95 1.01 0.87 -0.10 0.00 0.00 175.22 176.45 2i9h h LYS 6 N 7.73 0.00 -4.49 0.44 1.79 -1.90 -2.06 116.57 118.07 2i9h h LYS 6 Ca -0.08 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.84 2i9h h LYS 6 Cb 1.02 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.32 2i9h h LYS 6 CO 0.62 0.53 -0.82 0.95 -1.08 0.00 0.00 179.45 179.65 2i9h s THR 7 N -2.81 1.23 0.60 -0.16 -4.23 -1.26 -4.52 115.64 104.49 2i9h s THR 7 Ca -0.01 -0.46 0.29 0.00 -1.18 0.00 0.00 61.69 60.32 2i9h s THR 7 Cb 0.09 -1.17 0.37 0.00 1.34 0.00 0.00 72.50 73.13 2i9h s THR 7 CO 0.80 0.39 1.87 0.00 -0.54 0.00 0.00 174.62 177.14 2i9h h ALA 8 N 7.63 2.11 0.00 3.99 0.00 -1.94 0.47 119.26 131.51 2i9h h ALA 8 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2i9h h ALA 8 Cb 1.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2i9h h ALA 8 CO 0.46 -0.71 0.00 0.77 0.00 0.00 0.00 179.25 179.77 2i9h h SER 9 N 0.00 0.00 0.12 0.00 0.02 -1.99 0.39 113.55 112.09 2i9h h SER 9 Ca 0.20 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.79 2i9h h SER 9 Cb 1.19 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 2i9h h SER 9 CO -0.00 0.00 -1.97 -0.62 -1.14 0.00 0.00 176.83 173.10 2i9h n GLU 10 N -2.87 0.75 0.10 3.45 1.02 0.16 -4.15 120.64 119.09 2i9h n GLU 10 Ca -0.03 0.28 -0.05 0.00 -0.02 0.00 0.00 57.16 57.34 2i9h n GLU 10 Cb 0.06 -1.71 0.03 0.00 -0.02 0.00 0.00 31.44 29.80 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 0.02 0.09 -0.30 -0.32 3.57 -1.38 -3.11 116.94 115.50 2i9h h PHE 11 Ca -0.42 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.08 2i9h h PHE 11 Cb 2.00 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 40.67 2i9h h PHE 11 CO 0.08 0.84 -0.04 0.22 -2.23 0.00 0.00 178.31 177.18 2i9h h ASP 12 N 0.04 -0.20 0.87 0.41 3.58 -0.42 -1.23 116.42 119.46 2i9h h ASP 12 Ca -0.02 0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 2i9h h ASP 12 Cb 1.41 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.61 2i9h h ASP 12 CO 0.11 -0.06 -0.33 0.28 -2.88 0.00 0.00 179.24 176.36 2i9h h SER 13 N 0.04 0.00 0.16 2.28 0.02 -1.72 -3.16 113.55 111.18 2i9h h SER 13 Ca 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2i9h h SER 13 Cb 0.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 2i9h h SER 13 CO -0.28 0.33 -0.12 0.00 -1.14 0.00 0.00 176.83 175.62 2i9h h ALA 14 N 1.67 -0.94 -0.33 3.77 0.00 -1.15 -3.20 119.26 119.08 2i9h h ALA 14 Ca -0.00 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2i9h h ALA 14 Cb 0.85 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 2i9h h ALA 14 CO 0.04 -0.93 -0.04 -0.84 0.00 0.00 0.00 179.25 177.48 2i9h h ILE 15 N -0.27 0.72 -0.36 0.00 3.07 -1.60 -3.38 117.51 115.69 2i9h h ILE 15 Ca -0.02 -0.02 -0.47 0.00 1.55 0.00 0.00 64.86 65.90 2i9h h ILE 15 Cb 0.22 0.66 -0.07 0.00 -0.27 0.00 0.00 36.82 37.36 2i9h h ILE 15 CO 0.01 0.01 1.71 0.00 -1.05 0.00 0.00 178.15 178.83 2i9h n ALA 16 N -2.53 0.46 -3.09 0.16 0.00 -1.19 0.28 120.51 114.59 2i9h n ALA 16 Ca 0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 52.95 2i9h n ALA 16 Cb 0.18 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.12 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 8.40 -1.05 -2.07 0.00 1.13 -1.26 -4.63 117.38 117.89 2i9h n GLN 17 Ca 0.59 1.25 -0.01 0.00 -1.94 0.00 0.00 57.00 56.89 2i9h n GLN 17 Cb 0.16 -2.03 0.07 0.00 0.11 0.00 0.00 30.24 28.54 2i9h n GLN 17 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2i9h n ASP 18 N 1.11 -0.77 0.00 1.08 2.03 -1.20 -4.84 116.55 113.95 2i9h n ASP 18 Ca -0.00 -1.63 0.00 0.00 0.52 0.00 0.00 54.79 53.68 2i9h n ASP 18 Cb 0.39 0.36 0.00 0.00 -0.72 0.00 0.00 41.12 41.15 2i9h n ASP 18 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2i9h n LYS 19 N -0.80 0.00 -3.44 -0.67 4.01 -1.26 -4.56 118.16 111.44 2i9h n LYS 19 Ca -0.10 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.30 2i9h n LYS 19 Cb 0.69 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 35.12 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 4.41 -0.18 -0.35 2.96 -1.26 -2.19 118.68 122.07 2i9h s LEU 20 Ca 0.00 -0.23 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 2i9h s LEU 20 Cb 0.00 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 2i9h s LEU 20 CO 0.00 -0.29 0.03 -0.69 -1.32 0.00 0.00 176.35 174.07 2i9h s VAL 21 N 1.95 4.40 -0.63 1.68 1.01 -0.55 -2.67 120.40 125.59 2i9h s VAL 21 Ca 0.11 -0.17 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 2i9h s VAL 21 Cb -0.17 -2.98 0.16 0.00 0.00 0.00 0.00 36.38 33.39 2i9h s VAL 21 CO 0.11 0.46 0.59 -0.69 0.00 0.00 0.00 175.10 175.57 2i9h s VAL 22 N 0.54 5.34 -0.20 2.92 1.01 -0.44 -2.42 120.40 127.14 2i9h s VAL 22 Ca 0.01 -1.81 -0.09 0.00 0.00 0.00 0.00 61.98 60.09 2i9h s VAL 22 Cb -0.13 -4.38 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 2i9h s VAL 22 CO 0.02 -0.92 0.11 -0.69 0.00 0.00 0.00 175.10 173.61 2i9h s VAL 23 N 1.15 5.17 -0.20 2.92 1.01 -0.14 -2.51 120.40 127.80 2i9h s VAL 23 Ca 0.08 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 2i9h s VAL 23 Cb -0.24 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 2i9h s VAL 23 CO -0.01 0.44 0.14 -0.62 0.00 0.00 0.00 175.10 175.05 2i9h s ASP 24 N 0.44 6.22 -0.82 3.32 -1.08 -1.17 -0.43 116.67 123.16 2i9h s ASP 24 Ca 0.06 0.25 -0.02 0.00 -0.52 0.00 0.00 52.55 52.32 2i9h s ASP 24 Cb -0.12 -2.10 0.32 0.00 -1.46 0.00 0.00 42.92 39.57 2i9h s ASP 24 CO -0.01 0.18 2.10 0.49 0.52 0.00 0.00 175.17 178.45 2i9h n PHE 25 N 3.52 2.85 -1.61 -5.34 3.01 -1.07 0.16 117.46 118.98 2i9h n PHE 25 Ca -0.16 -2.29 -0.46 0.00 1.01 0.00 0.00 57.45 55.55 2i9h n PHE 25 Cb 0.52 -1.21 -0.03 0.00 -0.01 0.00 0.00 39.48 38.76 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 -0.40 1.58 -1.81 1.38 0.18 -1.24 -4.41 117.16 112.44 2i9h n TYR 26 Ca 0.53 0.62 -0.36 0.00 1.88 0.00 0.00 57.90 60.57 2i9h n TYR 26 Cb 0.26 -2.32 0.06 0.00 -0.38 0.00 0.00 39.34 36.95 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 -0.51 2.42 -0.23 -3.48 0.00 -1.26 -3.47 121.76 115.21 2i9h s ALA 27 Ca 0.66 1.13 0.20 0.00 0.00 0.00 0.00 51.96 53.94 2i9h s ALA 27 Cb -0.73 -3.51 0.31 0.00 0.00 0.00 0.00 23.12 19.19 2i9h s ALA 27 CO 0.55 -1.47 1.57 0.00 0.00 0.00 0.00 175.76 176.41 2i9h h THR 28 N 0.60 0.45 0.00 0.00 1.03 -1.91 -3.34 112.91 109.74 2i9h h THR 28 Ca -0.51 -1.55 -0.30 0.00 -0.01 0.00 0.00 66.41 64.05 2i9h h THR 28 Cb 1.32 2.15 -0.06 0.00 -1.07 0.00 0.00 68.15 70.50 2i9h h THR 28 CO 0.54 0.25 -2.13 -2.67 -0.01 0.00 0.00 175.52 171.49 2i9h n TRP 29 N -3.19 0.00 -1.06 0.00 4.27 -1.26 -4.91 117.44 111.29 2i9h n TRP 29 Ca 0.03 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.27 2i9h n TRP 29 Cb 0.60 -0.79 0.03 0.00 -1.36 0.00 0.00 31.31 29.79 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 3.05 1.11 2.86 0.00 0.00 -1.26 -4.58 105.19 106.36 2i9h n GLY 31 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 2i9h n GLY 31 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2i9h n PRO 32 N -0.17 1.19 0.00 1.61 -0.02 -1.26 -3.76 135.00 132.59 2i9h n PRO 32 Ca 0.00 -1.16 0.00 0.00 -2.02 0.00 0.00 63.50 60.32 2i9h n PRO 32 Cb 0.00 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 2i9h n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2i9h n LYS 34 N -0.22 0.67 0.00 0.00 4.01 -1.25 -4.18 118.16 117.19 2i9h n LYS 34 Ca 0.00 -0.07 0.07 0.00 -0.51 0.00 0.00 58.31 57.80 2i9h n LYS 34 Cb 0.07 -1.55 0.41 0.00 -0.51 0.00 0.00 35.03 33.45 2i9h n LYS 34 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2i9h n MET 35 N -2.54 0.43 0.07 1.97 2.81 -1.26 -2.34 117.12 116.26 2i9h n MET 35 Ca -0.17 0.01 -0.03 0.00 -1.81 0.00 0.00 57.70 55.69 2i9h n MET 35 Cb 0.86 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.80 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 1.14 -0.77 2.02 2.04 -1.91 -3.35 117.51 116.68 2i9h h ILE 36 Ca 0.00 -2.71 0.18 0.00 1.00 0.00 0.00 64.86 63.33 2i9h h ILE 36 Cb 0.01 2.53 -0.12 0.00 -0.74 0.00 0.00 36.82 38.49 2i9h h ILE 36 CO 0.00 0.65 0.14 0.00 0.00 0.00 0.00 178.15 178.94 2i9h h ALA 37 N 1.24 0.98 -0.15 1.87 0.00 -1.75 0.94 119.26 122.38 2i9h h ALA 37 Ca -0.06 0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 2i9h h ALA 37 Cb 1.64 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 2i9h h ALA 37 CO 0.09 -0.39 -0.66 -1.00 0.00 0.00 0.00 179.25 177.28 2i9h h PRO 38 N 0.20 0.57 0.17 0.00 0.13 -1.81 -2.90 132.00 128.36 2i9h h PRO 38 Ca 0.45 -0.42 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 2i9h h PRO 38 Cb 0.81 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2i9h h PRO 38 CO -0.59 1.04 -0.08 1.98 -0.23 0.00 0.00 178.00 180.12 2i9h h MET 39 N 0.41 -0.22 -0.79 0.86 1.85 -1.08 -1.42 114.93 114.54 2i9h h MET 39 Ca -0.02 0.02 0.23 0.00 -0.61 0.00 0.00 59.70 59.32 2i9h h MET 39 Cb 1.24 0.05 -0.03 0.00 0.43 0.00 0.00 31.60 33.29 2i9h h MET 39 CO 0.12 -0.06 0.60 0.82 -0.40 0.00 0.00 176.91 178.00 2i9h h ILE 40 N -0.34 0.53 0.03 1.77 2.04 0.80 0.26 117.51 122.59 2i9h h ILE 40 Ca -0.02 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.56 2i9h h ILE 40 Cb 0.27 0.57 0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2i9h h ILE 40 CO 0.04 0.00 -1.09 -0.08 0.00 0.00 0.00 178.15 177.02 2i9h h GLU 41 N 0.00 0.69 -0.22 2.37 4.81 -1.14 -3.13 114.58 117.97 2i9h h GLU 41 Ca 0.38 -0.78 0.06 0.00 -0.13 0.00 0.00 59.36 58.89 2i9h h GLU 41 Cb 1.58 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 31.18 2i9h h GLU 41 CO -0.00 1.34 0.28 0.87 -0.73 0.00 0.00 179.01 180.77 2i9h h LYS 42 N 0.37 0.00 0.00 1.92 1.79 0.54 0.79 116.57 121.99 2i9h h LYS 42 Ca -0.14 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.24 2i9h h LYS 42 Cb 1.75 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.38 2i9h h LYS 42 CO 0.21 0.00 -1.23 1.19 -1.08 0.00 0.00 179.45 178.55 2i9h n PHE 43 N -3.62 0.96 0.59 -1.35 3.01 -1.11 -3.81 117.46 112.13 2i9h n PHE 43 Ca 0.03 0.30 0.07 0.00 1.01 0.00 0.00 57.45 58.86 2i9h n PHE 43 Cb 0.40 -1.02 0.34 0.00 -0.01 0.00 0.00 39.48 39.20 2i9h n PHE 43 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2i9h n SER 44 N -2.77 0.00 0.03 4.37 3.41 0.27 -2.20 113.62 116.72 2i9h n SER 44 Ca -0.05 0.34 -0.00 0.00 -0.26 0.00 0.00 58.87 58.89 2i9h n SER 44 Cb 0.69 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 64.14 2i9h n SER 44 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2i9h n GLU 45 N -1.42 0.62 -0.02 4.33 4.07 -1.20 -2.86 120.64 124.16 2i9h n GLU 45 Ca 0.05 0.23 -0.08 0.00 -0.06 0.00 0.00 57.16 57.30 2i9h n GLU 45 Cb 0.15 -1.81 -0.13 0.00 -0.06 0.00 0.00 31.44 29.59 2i9h n GLU 45 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2i9h n GLN 46 N -2.90 0.63 -2.32 5.31 6.02 -0.94 -4.35 117.38 118.84 2i9h n GLN 46 Ca -0.10 0.28 -0.22 0.00 -0.01 0.00 0.00 57.00 56.95 2i9h n GLN 46 Cb 0.84 -1.79 0.01 0.00 1.02 0.00 0.00 30.24 30.33 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 -3.02 2.81 -0.58 1.08 4.01 -0.95 -4.89 117.16 115.62 2i9h n TYR 47 Ca -0.16 -2.64 0.45 0.00 -0.16 0.00 0.00 57.90 55.39 2i9h n TYR 47 Cb 1.03 -0.22 0.71 0.00 -0.31 0.00 0.00 39.34 40.55 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 -0.56 -0.01 -0.34 -0.72 -0.02 -1.13 0.13 135.00 132.35 2i9h n PRO 48 Ca 0.37 1.04 -0.01 0.00 -2.02 0.00 0.00 63.50 62.88 2i9h n PRO 48 Cb 0.82 -2.28 0.12 0.00 -0.02 0.00 0.00 33.50 32.13 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 1.16 -6.24 -0.52 4.20 -1.90 -3.41 115.11 108.39 2i9h h GLN 49 Ca 0.85 -0.07 -0.57 0.00 0.06 0.00 0.00 58.65 58.91 2i9h h GLN 49 Cb 3.18 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 30.66 2i9h h GLN 49 CO -0.15 0.76 -0.06 0.00 -0.67 0.00 0.00 178.83 178.71 2i9h s ALA 50 N -6.10 3.59 -0.17 3.87 0.00 0.36 -4.74 121.76 118.58 2i9h s ALA 50 Ca -0.13 -0.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.60 2i9h s ALA 50 Cb 0.18 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 2i9h s ALA 50 CO 0.80 0.42 0.58 -0.51 0.00 0.00 0.00 175.76 177.06 2i9h s ASP 51 N -1.28 6.69 -0.72 0.00 1.01 -1.09 -4.90 116.67 116.38 2i9h s ASP 51 Ca 0.31 0.83 -0.15 0.00 0.71 0.00 0.00 52.55 54.25 2i9h s ASP 51 Cb -0.18 -2.33 0.18 0.00 1.01 0.00 0.00 42.92 41.60 2i9h s ASP 51 CO 0.18 -0.19 0.67 -0.36 0.21 0.00 0.00 175.17 175.69 2i9h s PHE 52 N 1.50 3.56 0.57 4.23 0.40 -1.25 -1.32 117.98 125.66 2i9h s PHE 52 Ca 0.28 -1.72 0.06 0.00 -0.60 0.00 0.00 56.93 54.96 2i9h s PHE 52 Cb -0.16 -3.82 0.06 0.00 0.51 0.00 0.00 43.02 39.61 2i9h s PHE 52 CO 0.11 -1.01 0.51 0.71 0.70 0.00 0.00 175.22 176.24 2i9h s TYR 53 N 0.75 1.46 0.05 0.36 2.02 -1.05 -3.58 117.35 117.35 2i9h s TYR 53 Ca 0.12 -0.84 0.01 0.00 -0.37 0.00 0.00 57.07 55.99 2i9h s TYR 53 Cb -0.18 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 2i9h s TYR 53 CO -0.04 -0.70 -0.05 0.15 -1.57 0.00 0.00 175.55 173.34 2i9h s LYS 54 N -4.40 0.54 -0.23 -0.62 3.01 0.36 -3.04 119.74 115.36 2i9h s LYS 54 Ca 0.40 -0.92 -0.04 0.00 -1.01 0.00 0.00 55.97 54.41 2i9h s LYS 54 Cb -0.03 -0.06 -0.00 0.00 -1.01 0.00 0.00 37.83 36.73 2i9h s LYS 54 CO 0.25 -0.02 -0.04 -1.17 0.51 0.00 0.00 175.35 174.88 2i9h s LEU 55 N -2.09 3.00 -0.50 3.17 1.98 0.43 -0.81 118.68 123.85 2i9h s LEU 55 Ca -0.04 -0.50 -0.29 0.00 -2.89 0.00 0.00 54.13 50.41 2i9h s LEU 55 Cb -0.04 -1.73 0.02 0.00 0.66 0.00 0.00 46.19 45.10 2i9h s LEU 55 CO -0.03 -0.05 1.26 -1.81 -1.89 0.00 0.00 176.35 173.83 2i9h s ASP 56 N 1.45 6.44 0.00 3.68 1.11 -0.78 -3.68 116.67 124.89 2i9h s ASP 56 Ca 0.05 0.44 0.24 0.00 0.18 0.00 0.00 52.55 53.45 2i9h s ASP 56 Cb -0.15 -2.55 1.22 0.00 1.07 0.00 0.00 42.92 42.51 2i9h s ASP 56 CO -0.03 -1.42 1.78 0.52 1.18 0.00 0.00 175.17 177.19 2i9h n VAL 57 N 6.87 0.23 -0.00 -1.27 0.31 -1.23 -0.59 118.33 122.66 2i9h n VAL 57 Ca 0.12 0.06 -0.18 0.00 -0.01 0.00 0.00 64.34 64.33 2i9h n VAL 57 Cb 0.49 -0.67 -0.14 0.00 -0.91 0.00 0.00 33.84 32.61 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 0.27 0.16 4.52 1.82 -1.89 -3.22 116.42 118.07 2i9h h ASP 58 Ca 0.00 -0.96 -0.16 0.00 -0.39 0.00 0.00 57.03 55.52 2i9h h ASP 58 Cb 0.19 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.09 2i9h h ASP 58 CO 0.00 1.24 -2.00 1.21 -1.61 0.00 0.00 179.24 178.08 2i9h n GLU 59 N -4.32 0.66 -2.44 0.28 4.07 -1.21 -4.47 120.64 113.22 2i9h n GLU 59 Ca -0.13 -0.05 -0.31 0.00 -0.06 0.00 0.00 57.16 56.61 2i9h n GLU 59 Cb 0.69 -1.58 0.00 0.00 -0.06 0.00 0.00 31.44 30.49 2i9h n GLU 59 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2i9h n LEU 60 N -2.56 5.58 0.18 4.31 4.32 0.25 -4.79 117.00 124.29 2i9h n LEU 60 Ca -0.15 -5.23 0.13 0.00 -0.02 0.00 0.00 56.01 50.74 2i9h n LEU 60 Cb 0.83 -0.69 0.62 0.00 -1.62 0.00 0.00 43.42 42.56 2i9h n LEU 60 CO 0.44 2.13 0.88 1.23 -1.22 0.00 0.00 177.39 180.85 2i9h h GLY 61 N 2.89 0.00 1.76 -0.72 0.00 -1.74 -1.77 103.07 103.49 2i9h h GLY 61 Ca 0.36 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.54 2i9h h GLY 61 CO 1.01 0.00 -0.83 -0.55 0.00 0.00 0.00 176.54 176.18 2i9h h ASP 62 N 0.00 0.00 1.62 0.19 5.19 -1.89 -3.19 116.42 118.33 2i9h h ASP 62 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 2i9h h ASP 62 Cb 0.15 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 2i9h h ASP 62 CO 0.00 0.64 -0.26 0.58 -3.12 0.00 0.00 179.24 177.08 2i9h h VAL 63 N 0.00 0.46 0.00 -1.35 2.07 -1.71 -0.21 116.25 115.51 2i9h h VAL 63 Ca -0.05 -1.56 -0.10 0.00 0.82 0.00 0.00 66.70 65.80 2i9h h VAL 63 Cb 1.53 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 33.44 2i9h h VAL 63 CO 0.08 0.25 -0.53 0.00 0.02 0.00 0.00 177.57 177.38 2i9h h ALA 64 N 1.74 0.68 0.02 1.67 0.00 -1.60 -3.21 119.26 118.57 2i9h h ALA 64 Ca -0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 54.91 54.15 2i9h h ALA 64 Cb 1.14 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2i9h h ALA 64 CO 0.03 0.62 -1.76 0.94 0.00 0.00 0.00 179.25 179.08 2i9h n GLN 65 N -3.20 0.65 -0.06 0.00 7.27 -1.15 0.13 117.38 121.02 2i9h n GLN 65 Ca 0.01 0.29 -0.09 0.00 0.07 0.00 0.00 57.00 57.28 2i9h n GLN 65 Cb 0.73 -1.78 -0.02 0.00 2.41 0.00 0.00 30.24 31.58 2i9h n GLN 65 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 2i9h h LYS 66 N 0.01 0.26 -0.01 3.69 2.10 -1.09 -1.50 116.57 120.04 2i9h h LYS 66 Ca -0.31 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2i9h h LYS 66 Cb 2.02 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 33.29 2i9h h LYS 66 CO 0.08 0.17 -0.00 0.09 -2.00 0.00 0.00 179.45 177.79 2i9h n ASN 67 N -4.96 1.03 -3.25 7.07 3.02 -1.21 -4.92 115.26 112.02 2i9h n ASN 67 Ca -0.02 -1.34 -0.21 0.00 -0.03 0.00 0.00 54.58 52.98 2i9h n ASN 67 Cb 0.05 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.29 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 -0.20 -6.98 -3.72 3.52 -0.58 -0.56 -4.99 120.64 107.13 2i9h n GLU 68 Ca 0.21 0.74 -0.38 0.00 -0.42 0.00 0.00 57.16 57.31 2i9h n GLU 68 Cb 0.28 -5.52 -0.12 0.00 -0.57 0.00 0.00 31.44 25.50 2i9h n GLU 68 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2i9h s VAL 69 N -3.29 4.29 0.00 2.62 1.01 0.35 -4.88 120.40 120.50 2i9h s VAL 69 Ca 0.46 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2i9h s VAL 69 Cb -0.20 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2i9h s VAL 69 CO 0.65 0.15 0.69 -1.54 0.00 0.00 0.00 175.10 175.04 2i9h n SER 70 N 4.93 0.00 0.18 3.32 3.41 -1.26 -4.48 113.62 119.71 2i9h n SER 70 Ca -0.15 -1.44 0.14 0.00 -0.26 0.00 0.00 58.87 57.16 2i9h n SER 70 Cb 0.49 -0.09 0.56 0.00 -0.26 0.00 0.00 64.21 64.92 2i9h n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i9h h ALA 71 N 0.00 1.00 -6.09 7.33 0.00 -1.92 -3.48 119.26 116.10 2i9h h ALA 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2i9h h ALA 71 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2i9h h ALA 71 CO 0.00 0.00 -0.77 0.00 0.00 0.00 0.00 179.25 178.48 2i9h n MET 72 N -2.55 -1.19 0.00 0.00 0.00 -1.26 -4.91 117.12 107.22 2i9h n MET 72 Ca 0.02 1.30 0.00 0.00 0.00 0.00 0.00 57.70 59.01 2i9h n MET 72 Cb 0.26 -1.70 0.00 0.00 0.00 0.00 0.00 33.22 31.78 2i9h n MET 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2i9h n PRO 73 N 1.59 2.75 -3.55 3.17 -0.04 -1.26 -4.85 135.00 132.80 2i9h n PRO 73 Ca -0.03 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.35 2i9h n PRO 73 Cb 0.32 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.76 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 1.48 0.00 -0.13 0.52 2.01 -1.26 -4.43 115.64 113.84 2i9h s THR 74 Ca 0.00 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.82 2i9h s THR 74 Cb 0.00 -1.25 0.02 0.00 0.01 0.00 0.00 72.50 71.27 2i9h s THR 74 CO 0.00 0.00 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.00 2i9h s LEU 75 N -2.67 1.83 -0.09 4.42 1.43 -1.14 -2.58 118.68 119.88 2i9h s LEU 75 Ca 0.06 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 2i9h s LEU 75 Cb -0.01 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 2i9h s LEU 75 CO -0.07 0.01 -0.22 -0.76 0.23 0.00 0.00 176.35 175.54 2i9h s LEU 76 N 1.09 2.22 -0.09 1.79 1.43 0.43 -1.62 118.68 123.92 2i9h s LEU 76 Ca -0.03 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 2i9h s LEU 76 Cb -0.14 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2i9h s LEU 76 CO -0.05 0.19 -0.05 -0.76 0.23 0.00 0.00 176.35 175.91 2i9h s LEU 77 N 0.19 3.23 -0.04 1.79 1.02 -0.78 -0.97 118.68 123.12 2i9h s LEU 77 Ca -0.13 -0.04 -0.00 0.00 0.02 0.00 0.00 54.13 53.98 2i9h s LEU 77 Cb -0.16 -1.73 0.03 0.00 0.02 0.00 0.00 46.19 44.34 2i9h s LEU 77 CO 0.07 0.31 0.00 -0.36 0.02 0.00 0.00 176.35 176.39 2i9h s PHE 78 N -0.48 0.45 -0.16 0.29 0.08 -1.02 -1.84 117.98 115.31 2i9h s PHE 78 Ca 0.07 -0.05 -0.01 0.00 0.12 0.00 0.00 56.93 57.06 2i9h s PHE 78 Cb -0.12 -0.56 -0.01 0.00 -0.57 0.00 0.00 43.02 41.75 2i9h s PHE 78 CO 0.02 -0.20 -0.10 0.15 -0.10 0.00 0.00 175.22 174.99 2i9h s LYS 79 N 1.39 3.39 -0.61 0.44 1.02 -1.20 -1.48 119.74 122.68 2i9h s LYS 79 Ca -0.04 -0.66 -0.18 0.00 0.02 0.00 0.00 55.97 55.11 2i9h s LYS 79 Cb -0.13 -2.76 0.03 0.00 -0.52 0.00 0.00 37.83 34.45 2i9h s LYS 79 CO -0.02 0.08 0.64 0.09 -0.92 0.00 0.00 175.35 175.22 2i9h n ASN 80 N 3.93 -6.01 -4.40 2.83 3.02 -0.93 -1.91 115.26 111.79 2i9h n ASN 80 Ca -0.18 -0.29 -0.40 0.00 -0.03 0.00 0.00 54.58 53.67 2i9h n ASN 80 Cb 0.52 -2.77 -0.07 0.00 -0.61 0.00 0.00 39.78 36.85 2i9h n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2i9h n GLY 81 N -0.89 -0.41 0.00 7.41 0.00 0.78 -4.37 105.19 107.71 2i9h n GLY 81 Ca -0.12 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.03 0.00 -3.77 1.61 4.76 -0.80 -4.71 118.16 111.23 2i9h n LYS 82 Ca 0.11 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.31 2i9h n LYS 82 Cb 0.46 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.63 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 1.14 2.33 0.15 1.97 2.12 -1.26 -3.27 118.70 121.88 2i9h s GLU 83 Ca 0.00 -1.84 0.00 0.00 0.36 0.00 0.00 54.97 53.49 2i9h s GLU 83 Cb 0.00 -2.20 0.00 0.00 0.26 0.00 0.00 34.13 32.19 2i9h s GLU 83 CO 0.00 -0.46 0.00 0.28 -0.54 0.00 0.00 175.26 174.54 2i9h n VAL 84 N -1.67 0.00 -3.56 3.70 0.31 -0.77 -3.58 118.33 112.76 2i9h n VAL 84 Ca 0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.26 2i9h n VAL 84 Cb 0.63 -0.11 -0.04 0.00 -0.91 0.00 0.00 33.84 33.42 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 -1.72 -1.94 -0.19 3.52 0.00 -1.22 -5.03 121.76 115.19 2i9h s ALA 85 Ca 0.00 1.45 -0.00 0.00 0.00 0.00 0.00 51.96 53.41 2i9h s ALA 85 Cb 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.77 2i9h s ALA 85 CO 0.00 -0.46 -0.16 -1.59 0.00 0.00 0.00 175.76 173.55 2i9h s LYS 86 N -1.88 3.10 -0.33 0.00 -2.85 -1.26 -1.86 119.74 114.66 2i9h s LYS 86 Ca 0.03 -0.78 -0.01 0.00 -1.00 0.00 0.00 55.97 54.21 2i9h s LYS 86 Cb -0.01 -2.67 0.13 0.00 -2.06 0.00 0.00 37.83 33.21 2i9h s LYS 86 CO -0.03 -0.18 0.18 0.08 0.10 0.00 0.00 175.35 175.50 2i9h s VAL 87 N 1.28 0.17 -0.05 1.79 1.01 -0.64 -5.05 120.40 118.92 2i9h s VAL 87 Ca 0.04 -1.43 -0.30 0.00 0.00 0.00 0.00 61.98 60.29 2i9h s VAL 87 Cb -0.14 -1.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.05 2i9h s VAL 87 CO -0.09 -0.89 1.61 0.54 0.00 0.00 0.00 175.10 176.27 2i9h s VAL 88 N 1.39 3.59 0.00 2.92 0.11 -1.26 -2.88 120.40 124.27 2i9h s VAL 88 Ca 0.15 0.77 0.00 0.00 -2.93 0.00 0.00 61.98 59.97 2i9h s VAL 88 Cb -0.21 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.15 2i9h s VAL 88 CO -0.12 -0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.20 2i9h n GLY 89 N 4.05 2.51 2.05 6.54 0.00 -1.26 -4.85 105.19 114.22 2i9h n GLY 89 Ca 0.17 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 5.46 -2.38 4.61 0.00 -1.26 -4.45 120.51 122.49 2i9h n ALA 90 Ca 0.00 -2.41 -0.40 0.00 0.00 0.00 0.00 53.44 50.63 2i9h n ALA 90 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 19.45 17.90 2i9h n ALA 90 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2i9h s ASN 91 N -0.74 7.28 -0.96 0.00 2.47 -1.26 -4.79 114.94 116.95 2i9h s ASN 91 Ca 0.45 1.54 -0.09 0.00 0.42 0.00 0.00 52.86 55.18 2i9h s ASN 91 Cb 0.36 -2.50 -0.32 0.00 -1.45 0.00 0.00 41.25 37.34 2i9h s ASN 91 CO 0.01 -0.01 2.12 -2.65 -3.72 0.00 0.00 177.10 172.85 2i9h n PRO 92 N 2.85 0.02 0.00 0.43 -0.02 -1.26 -3.06 135.00 133.95 2i9h n PRO 92 Ca -0.01 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2i9h n PRO 92 Cb 0.50 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 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 5.96 0.00 0.00 3.55 0.00 -1.26 -5.01 120.51 123.75 2i9h n ALA 93 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.09 2i9h n ALA 93 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 0.00 2.25 0.16 0.00 0.00 -1.17 -4.66 120.51 117.09 2i9h n ALA 94 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2i9h n ALA 94 Cb 0.00 0.20 0.40 0.00 0.00 0.00 0.00 19.45 20.05 2i9h n ALA 94 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2i9h n ILE 95 N -2.09 0.72 -0.06 0.00 0.13 -1.26 0.10 119.36 116.90 2i9h n ILE 95 Ca 0.00 0.74 -0.04 0.00 -1.10 0.00 0.00 62.75 62.34 2i9h n ILE 95 Cb 0.20 -1.74 -0.01 0.00 -0.84 0.00 0.00 39.64 37.24 2i9h n ILE 95 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 2i9h n LYS 96 N -2.08 0.38 0.00 9.51 4.81 -1.26 -4.13 118.16 125.38 2i9h n LYS 96 Ca -0.01 0.42 -0.03 0.00 -0.87 0.00 0.00 58.31 57.82 2i9h n LYS 96 Cb 0.25 -1.47 0.21 0.00 0.02 0.00 0.00 35.03 34.05 2i9h n LYS 96 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2i9h h GLN 97 N -0.81 0.52 -0.37 1.64 7.50 -1.73 -2.50 115.11 119.35 2i9h h GLN 97 Ca 0.00 -0.18 0.10 0.00 0.50 0.00 0.00 58.65 59.08 2i9h h GLN 97 Cb 0.49 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.96 2i9h h GLN 97 CO 0.00 0.69 0.27 0.00 -1.50 0.00 0.00 178.83 178.29 2i9h h ALA 98 N 1.33 2.32 -0.00 3.87 0.00 0.44 0.26 119.26 127.47 2i9h h ALA 98 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2i9h h ALA 98 Cb 0.60 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2i9h h ALA 98 CO 0.04 -0.42 -0.43 -0.89 0.00 0.00 0.00 179.25 177.55 2i9h n ILE 99 N -4.43 0.00 0.00 0.00 -0.00 -0.96 -3.74 119.36 110.23 2i9h n ILE 99 Ca 0.06 -0.04 0.00 0.00 -0.00 0.00 0.00 62.75 62.77 2i9h n ILE 99 Cb 0.43 0.30 0.00 0.00 -0.00 0.00 0.00 39.64 40.38 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 -1.23 0.00 -0.21 -1.39 0.00 0.88 -2.58 120.51 115.98 2i9h n ALA 100 Ca 0.08 -0.04 0.30 0.00 0.00 0.00 0.00 53.44 53.78 2i9h n ALA 100 Cb 0.34 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.52 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 2.89 0.00 0.00 0.00 -1.70 -0.83 119.26 117.63 2i9h h ALA 101 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2i9h h ALA 101 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2i9h h ALA 101 CO 0.00 -1.21 -0.00 -0.91 0.00 0.00 0.00 179.25 177.12 2i9h h ASN 102 N 0.00 -0.01 -0.02 0.00 4.21 -1.76 -3.52 115.58 114.48 2i9h h ASN 102 Ca 0.46 -0.87 0.00 0.00 1.21 0.00 0.00 56.30 57.10 2i9h h ASN 102 Cb 1.89 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.09 2i9h h ASN 102 CO -0.00 0.89 0.00 0.00 -1.29 0.00 0.00 177.43 177.03