#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 0.09 3.17 1.01 -1.26 -4.12 120.40 119.31 2i9h s VAL 2 Ca 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 2i9h s VAL 2 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 2i9h s VAL 2 CO 0.00 -0.06 0.12 -0.89 0.00 0.00 0.00 175.10 174.27 2i9h s THR 3 N -0.15 0.15 0.63 3.92 2.01 -1.25 -5.01 115.64 115.95 2i9h s THR 3 Ca -0.02 -1.47 -0.01 0.00 0.31 0.00 0.00 61.69 60.51 2i9h s THR 3 Cb -0.02 -1.53 0.07 0.00 0.01 0.00 0.00 72.50 71.04 2i9h s THR 3 CO 0.00 -0.69 0.88 -1.10 -0.69 0.00 0.00 174.62 173.02 2i9h s GLN 4 N -3.91 2.20 -0.06 4.92 -0.21 -1.26 0.11 119.66 121.45 2i9h s GLN 4 Ca 0.09 -0.82 0.03 0.00 0.02 0.00 0.00 55.36 54.68 2i9h s GLN 4 Cb 0.06 -2.39 0.01 0.00 1.00 0.00 0.00 33.01 31.68 2i9h s GLN 4 CO -0.08 -1.03 -0.15 -0.06 -2.12 0.00 0.00 175.29 171.84 2i9h s PHE 5 N -2.96 1.68 0.00 0.91 0.08 0.99 -4.76 117.98 113.93 2i9h s PHE 5 Ca 0.61 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 57.07 2i9h s PHE 5 Cb -0.09 -1.18 0.00 0.00 -0.57 0.00 0.00 43.02 41.19 2i9h s PHE 5 CO 0.41 -0.25 0.00 1.63 -0.10 0.00 0.00 175.22 176.91 2i9h n LYS 6 N 3.53 2.81 -4.38 0.44 4.76 -1.26 -3.19 118.16 120.87 2i9h n LYS 6 Ca -0.21 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.00 2i9h n LYS 6 Cb 0.52 -0.98 -0.13 0.00 -1.84 0.00 0.00 35.03 32.61 2i9h n LYS 6 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2i9h s THR 7 N -1.95 1.56 -0.68 -0.18 -4.23 -1.26 -4.58 115.64 104.32 2i9h s THR 7 Ca 0.00 -1.35 -0.27 0.00 -1.18 0.00 0.00 61.69 58.89 2i9h s THR 7 Cb 0.00 -1.41 0.00 0.00 1.34 0.00 0.00 72.50 72.44 2i9h s THR 7 CO 0.00 0.00 1.62 0.00 -0.54 0.00 0.00 174.62 175.70 2i9h s ALA 8 N -1.04 2.40 0.00 3.99 0.00 -1.26 -2.63 121.76 123.23 2i9h s ALA 8 Ca 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2i9h s ALA 8 Cb -0.09 -4.30 0.00 0.00 0.00 0.00 0.00 23.12 18.73 2i9h s ALA 8 CO 0.03 -3.67 0.00 0.45 0.00 0.00 0.00 175.76 172.57 2i9h n SER 9 N 11.32 0.00 0.04 0.00 2.88 -1.26 -4.96 113.62 121.65 2i9h n SER 9 Ca 0.14 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.56 2i9h n SER 9 Cb 0.51 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.83 2i9h n SER 9 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2i9h h GLU 10 N 0.00 0.11 0.08 -1.46 5.08 -1.94 -3.31 114.58 113.15 2i9h h GLU 10 Ca 0.00 -0.19 -0.32 0.00 -1.00 0.00 0.00 59.36 57.84 2i9h h GLU 10 Cb 0.00 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2i9h h GLU 10 CO 0.00 0.92 -1.78 0.34 -1.00 0.00 0.00 179.01 177.50 2i9h n PHE 11 N -3.32 1.16 -0.35 4.33 7.35 -1.26 -3.81 117.46 121.57 2i9h n PHE 11 Ca -0.12 0.32 0.23 0.00 -0.76 0.00 0.00 57.45 57.12 2i9h n PHE 11 Cb 1.02 -1.14 0.49 0.00 0.35 0.00 0.00 39.48 40.19 2i9h n PHE 11 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 2i9h h ASP 12 N -0.28 0.50 0.66 -2.13 1.82 -1.90 0.72 116.42 115.80 2i9h h ASP 12 Ca -0.41 0.12 -0.16 0.00 -0.39 0.00 0.00 57.03 56.19 2i9h h ASP 12 Cb 1.80 0.05 -0.02 0.00 0.68 0.00 0.00 39.33 41.84 2i9h h ASP 12 CO -0.01 0.02 -0.76 0.28 -1.61 0.00 0.00 179.24 177.16 2i9h h SER 13 N 0.39 0.09 -0.47 2.28 0.02 -1.72 -1.34 113.55 112.80 2i9h h SER 13 Ca 0.66 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.54 2i9h h SER 13 Cb 1.59 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 64.08 2i9h h SER 13 CO -0.41 0.81 0.29 0.00 -1.14 0.00 0.00 176.83 176.38 2i9h h ALA 14 N 1.18 1.61 0.00 3.77 0.00 0.34 -3.20 119.26 122.97 2i9h h ALA 14 Ca -0.02 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 2i9h h ALA 14 Cb 1.34 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2i9h h ALA 14 CO 0.10 0.34 -1.31 0.44 0.00 0.00 0.00 179.25 178.83 2i9h n ILE 15 N -4.44 1.54 -1.51 0.00 -5.35 -0.98 -4.50 119.36 104.13 2i9h n ILE 15 Ca 0.04 -0.05 -0.32 0.00 -0.27 0.00 0.00 62.75 62.15 2i9h n ILE 15 Cb 0.07 -2.03 -0.16 0.00 -1.74 0.00 0.00 39.64 35.79 2i9h n ILE 15 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2i9h n ALA 16 N -3.42 0.63 -3.26 -1.28 0.00 -0.51 0.29 120.51 112.96 2i9h n ALA 16 Ca -0.33 -0.62 -0.22 0.00 0.00 0.00 0.00 53.44 52.28 2i9h n ALA 16 Cb 0.70 -2.49 0.02 0.00 0.00 0.00 0.00 19.45 17.68 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 7.57 -1.75 -2.46 0.00 1.13 -1.26 -4.63 117.38 115.97 2i9h n GLN 17 Ca 0.62 1.51 -0.03 0.00 -1.94 0.00 0.00 57.00 57.16 2i9h n GLN 17 Cb 0.15 -2.70 0.10 0.00 0.11 0.00 0.00 30.24 27.90 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 0.22 -1.26 0.00 1.08 2.03 -1.14 -4.86 116.55 112.61 2i9h n ASP 18 Ca -0.02 -2.00 0.00 0.00 0.52 0.00 0.00 54.79 53.28 2i9h n ASP 18 Cb 0.55 0.64 0.00 0.00 -0.72 0.00 0.00 41.12 41.59 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 -1.06 0.00 -3.47 -0.67 4.01 -1.26 -4.58 118.16 111.13 2i9h n LYS 19 Ca -0.13 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.27 2i9h n LYS 19 Cb 0.79 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 35.21 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 4.30 -0.18 -0.35 2.96 -1.26 -2.97 118.68 121.18 2i9h s LEU 20 Ca 0.00 -0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 2i9h s LEU 20 Cb 0.00 -2.26 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 2i9h s LEU 20 CO 0.00 -0.22 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.02 2i9h s VAL 21 N 1.90 3.06 -0.39 1.68 1.01 -0.78 -2.74 120.40 124.13 2i9h s VAL 21 Ca 0.10 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.31 2i9h s VAL 21 Cb -0.16 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.89 2i9h s VAL 21 CO 0.11 0.48 0.29 -0.69 0.00 0.00 0.00 175.10 175.29 2i9h s VAL 22 N 1.00 5.26 -0.09 2.92 1.01 -0.36 -2.54 120.40 127.60 2i9h s VAL 22 Ca -0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 2i9h s VAL 22 Cb -0.15 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 2i9h s VAL 22 CO -0.01 -0.23 -0.05 -0.69 0.00 0.00 0.00 175.10 174.12 2i9h s VAL 23 N 1.71 3.86 -0.21 2.92 1.01 0.40 -2.52 120.40 127.58 2i9h s VAL 23 Ca 0.06 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 2i9h s VAL 23 Cb -0.18 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 2i9h s VAL 23 CO 0.10 0.58 0.14 -0.62 0.00 0.00 0.00 175.10 175.30 2i9h s ASP 24 N -0.57 6.20 -0.78 3.32 -1.08 -1.17 -0.44 116.67 122.15 2i9h s ASP 24 Ca 0.09 0.22 -0.02 0.00 -0.52 0.00 0.00 52.55 52.31 2i9h s ASP 24 Cb -0.12 -2.10 0.34 0.00 -1.46 0.00 0.00 42.92 39.59 2i9h s ASP 24 CO 0.02 0.15 2.09 0.49 0.52 0.00 0.00 175.17 178.44 2i9h n PHE 25 N 3.68 2.90 -1.59 -5.34 3.01 -1.15 0.14 117.46 119.10 2i9h n PHE 25 Ca -0.16 -2.40 -0.50 0.00 1.01 0.00 0.00 57.45 55.40 2i9h n PHE 25 Cb 0.52 -1.24 -0.05 0.00 -0.01 0.00 0.00 39.48 38.70 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 -0.48 1.48 -1.79 1.38 0.18 -1.25 -4.44 117.16 112.24 2i9h n TYR 26 Ca 0.55 0.63 -0.39 0.00 1.88 0.00 0.00 57.90 60.57 2i9h n TYR 26 Cb 0.33 -2.32 0.03 0.00 -0.38 0.00 0.00 39.34 37.00 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 0.20 2.95 -0.00 -3.48 0.00 -1.26 -3.52 121.76 116.64 2i9h s ALA 27 Ca 0.79 1.37 0.28 0.00 0.00 0.00 0.00 51.96 54.40 2i9h s ALA 27 Cb -0.89 -3.57 1.01 0.00 0.00 0.00 0.00 23.12 19.67 2i9h s ALA 27 CO 0.49 -1.31 1.85 0.00 0.00 0.00 0.00 175.76 176.79 2i9h h THR 28 N 1.71 0.17 0.05 0.00 1.03 -1.90 -3.26 112.91 110.71 2i9h h THR 28 Ca -0.51 -0.82 -0.38 0.00 -0.01 0.00 0.00 66.41 64.69 2i9h h THR 28 Cb 1.29 1.70 -0.05 0.00 -1.07 0.00 0.00 68.15 70.02 2i9h h THR 28 CO 0.58 0.07 -2.26 -2.67 -0.01 0.00 0.00 175.52 171.24 2i9h n TRP 29 N -3.17 0.53 -1.43 0.00 4.27 -1.26 -4.98 117.44 111.39 2i9h n TRP 29 Ca 0.01 0.12 -0.48 0.00 -3.89 0.00 0.00 57.50 53.26 2i9h n TRP 29 Cb 0.40 -1.07 -0.03 0.00 -1.36 0.00 0.00 31.31 29.24 2i9h n TRP 29 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2i9h h GLY 31 N 1.23 0.00 -4.30 0.00 0.00 -1.94 -3.40 103.07 94.66 2i9h h GLY 31 Ca -0.31 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.73 2i9h h GLY 31 CO 0.58 0.00 0.67 -1.55 0.00 0.00 0.00 176.54 176.24 2i9h n PRO 32 N -4.62 2.30 0.00 4.80 -0.04 -1.26 -3.65 135.00 132.52 2i9h n PRO 32 Ca -0.09 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 2i9h n PRO 32 Cb 0.28 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 2i9h n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2i9h h LYS 34 N 0.00 0.00 0.00 0.00 3.64 -1.87 -3.07 116.57 115.27 2i9h h LYS 34 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2i9h h LYS 34 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2i9h h LYS 34 CO 0.00 0.50 0.00 -1.33 -2.27 0.00 0.00 179.45 176.35 2i9h n MET 35 N -3.28 0.69 0.12 1.90 2.81 -1.26 -3.07 117.12 115.02 2i9h n MET 35 Ca 0.01 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.69 2i9h n MET 35 Cb 0.70 -1.31 -0.14 0.00 -0.71 0.00 0.00 33.22 31.76 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 1.33 -0.93 2.02 2.04 -1.87 -3.35 117.51 116.75 2i9h h ILE 36 Ca 0.00 -2.69 0.26 0.00 1.00 0.00 0.00 64.86 63.43 2i9h h ILE 36 Cb 0.00 2.89 -0.16 0.00 -0.74 0.00 0.00 36.82 38.81 2i9h h ILE 36 CO 0.00 0.80 0.14 0.00 0.00 0.00 0.00 178.15 179.09 2i9h h ALA 37 N 0.31 1.24 -0.39 1.87 0.00 -1.77 0.23 119.26 120.75 2i9h h ALA 37 Ca -0.21 0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2i9h h ALA 37 Cb 2.03 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 20.27 2i9h h ALA 37 CO 0.25 -0.55 -0.01 -1.00 0.00 0.00 0.00 179.25 177.94 2i9h h PRO 38 N 0.09 0.70 0.90 0.00 0.13 -1.83 -2.63 132.00 129.37 2i9h h PRO 38 Ca 0.58 -0.23 -0.04 0.00 -0.87 0.00 0.00 66.00 65.44 2i9h h PRO 38 Cb 1.22 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 32.30 2i9h h PRO 38 CO -0.79 0.80 -0.43 0.52 -0.23 0.00 0.00 178.00 177.87 2i9h h MET 39 N 0.53 -1.17 -1.57 0.86 2.86 -1.01 -0.06 114.93 115.37 2i9h h MET 39 Ca 0.11 0.08 0.45 0.00 -2.06 0.00 0.00 59.70 58.28 2i9h h MET 39 Cb 0.49 0.26 -0.06 0.00 0.06 0.00 0.00 31.60 32.35 2i9h h MET 39 CO 0.02 -0.78 1.19 0.82 1.06 0.00 0.00 176.91 179.23 2i9h h ILE 40 N -1.31 0.14 0.17 -1.22 2.04 -0.70 1.02 117.51 117.65 2i9h h ILE 40 Ca -0.12 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.51 2i9h h ILE 40 Cb 0.93 0.15 0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2i9h h ILE 40 CO 0.20 0.00 -1.02 -0.08 0.00 0.00 0.00 178.15 177.25 2i9h h GLU 41 N 0.00 0.36 -0.02 2.37 4.81 -1.01 -3.25 114.58 117.84 2i9h h GLU 41 Ca 0.74 -0.61 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2i9h h GLU 41 Cb 3.12 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 32.73 2i9h h GLU 41 CO -0.01 1.29 0.02 0.87 -0.73 0.00 0.00 179.01 180.45 2i9h h LYS 42 N -0.24 0.00 0.00 1.92 1.57 0.29 -0.75 116.57 119.37 2i9h h LYS 42 Ca -0.18 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 2i9h h LYS 42 Cb 1.79 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.09 2i9h h LYS 42 CO 0.18 0.00 -0.21 0.74 -0.57 0.00 0.00 179.45 179.59 2i9h h PHE 43 N 0.00 0.00 0.00 -1.35 -1.00 -1.29 -2.90 116.94 110.40 2i9h h PHE 43 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 2i9h h PHE 43 Cb 0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.60 2i9h h PHE 43 CO 0.00 0.21 0.00 -1.13 -1.61 0.00 0.00 178.31 175.78 2i9h n SER 44 N -3.22 0.00 0.00 2.17 3.41 -0.29 -2.50 113.62 113.19 2i9h n SER 44 Ca 0.02 -0.31 -0.05 0.00 -0.26 0.00 0.00 58.87 58.26 2i9h n SER 44 Cb 0.53 -0.20 -0.12 0.00 -0.26 0.00 0.00 64.21 64.16 2i9h n SER 44 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2i9h n GLU 45 N -1.20 0.63 -0.00 4.33 1.02 -1.09 -2.67 120.64 121.65 2i9h n GLU 45 Ca 0.15 0.27 -0.05 0.00 -0.02 0.00 0.00 57.16 57.51 2i9h n GLU 45 Cb 0.18 -1.80 -0.12 0.00 -0.02 0.00 0.00 31.44 29.68 2i9h n GLU 45 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2i9h n GLN 46 N -2.99 0.63 -2.37 3.49 6.02 -1.14 -4.33 117.38 116.70 2i9h n GLN 46 Ca -0.14 0.27 -0.22 0.00 -0.01 0.00 0.00 57.00 56.90 2i9h n GLN 46 Cb 0.97 -1.80 0.01 0.00 1.02 0.00 0.00 30.24 30.44 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 -2.98 2.74 -0.54 1.08 4.01 -1.04 -4.90 117.16 115.53 2i9h n TYR 47 Ca -0.14 -2.68 0.42 0.00 -0.16 0.00 0.00 57.90 55.35 2i9h n TYR 47 Cb 0.97 -0.22 0.67 0.00 -0.31 0.00 0.00 39.34 40.45 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 -0.53 -0.01 -0.26 -0.72 -0.02 -1.09 0.15 135.00 132.51 2i9h n PRO 48 Ca 0.35 1.01 -0.01 0.00 -2.02 0.00 0.00 63.50 62.82 2i9h n PRO 48 Cb 0.80 -2.19 0.18 0.00 -0.02 0.00 0.00 33.50 32.27 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 1.10 -6.15 -0.52 4.20 -1.90 -3.41 115.11 108.42 2i9h h GLN 49 Ca 0.81 -0.10 -0.58 0.00 0.06 0.00 0.00 58.65 58.84 2i9h h GLN 49 Cb 2.99 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 30.49 2i9h h GLN 49 CO -0.17 0.77 -0.06 0.00 -0.67 0.00 0.00 178.83 178.70 2i9h s ALA 50 N -5.82 3.59 0.03 3.87 0.00 0.39 -4.73 121.76 119.07 2i9h s ALA 50 Ca -0.12 -0.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.65 2i9h s ALA 50 Cb 0.17 -2.61 -0.06 0.00 0.00 0.00 0.00 23.12 20.62 2i9h s ALA 50 CO 0.80 0.36 0.51 -0.51 0.00 0.00 0.00 175.76 176.92 2i9h s ASP 51 N -0.87 6.95 -0.43 0.00 1.01 -1.11 -4.87 116.67 117.35 2i9h s ASP 51 Ca 0.28 1.12 -0.01 0.00 0.71 0.00 0.00 52.55 54.65 2i9h s ASP 51 Cb -0.19 -2.32 0.12 0.00 1.01 0.00 0.00 42.92 41.54 2i9h s ASP 51 CO 0.17 0.25 0.20 -0.36 0.21 0.00 0.00 175.17 175.65 2i9h s PHE 52 N -0.87 3.59 0.19 4.23 0.40 -1.26 -1.22 117.98 123.03 2i9h s PHE 52 Ca 0.27 -2.61 0.03 0.00 -0.60 0.00 0.00 56.93 54.02 2i9h s PHE 52 Cb -0.18 -3.15 0.03 0.00 0.51 0.00 0.00 43.02 40.23 2i9h s PHE 52 CO 0.16 -0.94 0.24 0.66 0.70 0.00 0.00 175.22 176.04 2i9h n TYR 53 N 4.32 -2.38 -3.75 0.36 4.01 -1.05 -3.78 117.16 114.90 2i9h n TYR 53 Ca 0.01 -0.73 -0.12 0.00 -0.16 0.00 0.00 57.90 56.89 2i9h n TYR 53 Cb 0.41 -0.18 -0.12 0.00 -0.31 0.00 0.00 39.34 39.14 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 -2.85 0.29 0.01 -0.72 1.02 0.29 -3.02 119.74 114.77 2i9h s LYS 54 Ca 0.18 0.49 -0.05 0.00 0.02 0.00 0.00 55.97 56.61 2i9h s LYS 54 Cb -0.01 0.04 -0.05 0.00 -0.52 0.00 0.00 37.83 37.29 2i9h s LYS 54 CO 0.11 -0.10 0.25 -1.17 -0.92 0.00 0.00 175.35 173.52 2i9h s LEU 55 N 0.68 4.36 -0.19 3.17 1.98 0.36 -0.00 118.68 129.04 2i9h s LEU 55 Ca -0.04 0.48 -0.16 0.00 -2.89 0.00 0.00 54.13 51.52 2i9h s LEU 55 Cb -0.06 -2.71 -0.04 0.00 0.66 0.00 0.00 46.19 44.05 2i9h s LEU 55 CO -0.04 0.24 0.42 -0.62 -1.89 0.00 0.00 176.35 174.45 2i9h s ASP 56 N -1.85 6.48 -0.31 3.68 -1.08 -1.19 -3.85 116.67 118.55 2i9h s ASP 56 Ca 0.29 0.57 0.03 0.00 -0.52 0.00 0.00 52.55 52.91 2i9h s ASP 56 Cb -0.13 -2.24 0.44 0.00 -1.46 0.00 0.00 42.92 39.53 2i9h s ASP 56 CO 0.18 -0.07 1.63 0.52 0.52 0.00 0.00 175.17 177.95 2i9h n VAL 57 N 4.23 2.50 0.00 1.11 0.31 -1.23 -2.60 118.33 122.64 2i9h n VAL 57 Ca -0.08 -1.31 0.00 0.00 -0.01 0.00 0.00 64.34 62.94 2i9h n VAL 57 Cb 0.51 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 2i9h n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2i9h n ASP 58 N -0.59 0.14 0.07 4.52 -0.08 -1.26 -3.95 116.55 115.39 2i9h n ASP 58 Ca 0.40 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.57 2i9h n ASP 58 Cb 1.27 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 44.60 2i9h n ASP 58 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2i9h h GLU 59 N 0.00 0.11 -2.49 -0.67 4.57 -1.91 -3.38 114.58 110.82 2i9h h GLU 59 Ca 0.00 -0.19 -0.62 0.00 -1.18 0.00 0.00 59.36 57.37 2i9h h GLU 59 Cb 0.10 0.07 -0.41 0.00 -0.16 0.00 0.00 28.75 28.36 2i9h h GLU 59 CO 0.00 1.03 -0.49 1.28 -1.18 0.00 0.00 179.01 179.65 2i9h n LEU 60 N -3.39 3.77 0.00 1.64 4.32 -1.07 -4.87 117.00 117.40 2i9h n LEU 60 Ca -0.06 -5.37 0.14 0.00 -0.02 0.00 0.00 56.01 50.70 2i9h n LEU 60 Cb 0.99 -0.74 0.80 0.00 -1.62 0.00 0.00 43.42 42.84 2i9h n LEU 60 CO 0.49 1.95 1.00 0.61 -1.22 0.00 0.00 177.39 180.22 2i9h n GLY 61 N 1.19 -0.98 0.13 -0.72 0.00 -1.26 -3.37 105.19 100.18 2i9h n GLY 61 Ca 0.27 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 2i9h n GLY 61 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i9h n ASP 62 N -1.09 1.93 0.08 1.61 8.00 -1.26 -3.62 116.55 122.21 2i9h n ASP 62 Ca 0.19 0.25 -0.11 0.00 0.71 0.00 0.00 54.79 55.83 2i9h n ASP 62 Cb 0.13 -0.75 -0.07 0.00 -0.02 0.00 0.00 41.12 40.41 2i9h n ASP 62 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2i9h h VAL 63 N 0.06 0.75 -0.36 2.53 2.07 -1.94 0.64 116.25 120.00 2i9h h VAL 63 Ca -0.40 -0.99 0.10 0.00 0.82 0.00 0.00 66.70 66.23 2i9h h VAL 63 Cb 2.03 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2i9h h VAL 63 CO 0.09 0.18 0.41 0.00 0.02 0.00 0.00 177.57 178.28 2i9h h ALA 64 N -0.35 2.04 0.11 1.67 0.00 -1.77 0.25 119.26 121.20 2i9h h ALA 64 Ca -0.03 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 2i9h h ALA 64 Cb 0.51 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2i9h h ALA 64 CO 0.05 -0.60 -1.95 0.94 0.00 0.00 0.00 179.25 177.69 2i9h n GLN 65 N -3.68 0.74 -0.03 0.00 7.27 -1.15 0.11 117.38 120.64 2i9h n GLN 65 Ca 0.06 0.27 -0.11 0.00 0.07 0.00 0.00 57.00 57.29 2i9h n GLN 65 Cb 0.57 -1.72 -0.04 0.00 2.41 0.00 0.00 30.24 31.46 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 0.06 0.21 0.00 3.69 2.10 0.22 -1.15 116.57 121.70 2i9h h LYS 66 Ca -0.40 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2i9h h LYS 66 Cb 2.03 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 33.32 2i9h h LYS 66 CO 0.09 0.17 0.00 0.09 -2.00 0.00 0.00 179.45 177.80 2i9h n ASN 67 N -4.96 0.00 -2.63 7.07 3.02 -0.35 -4.90 115.26 112.52 2i9h n ASN 67 Ca -0.04 -0.02 -0.16 0.00 -0.03 0.00 0.00 54.58 54.33 2i9h n ASN 67 Cb 0.05 -0.30 0.06 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.30 -5.33 -3.47 3.52 1.02 -0.44 -4.97 120.64 109.67 2i9h n GLU 68 Ca 0.11 0.57 -0.42 0.00 -0.02 0.00 0.00 57.16 57.41 2i9h n GLU 68 Cb 0.21 -4.82 -0.04 0.00 -0.02 0.00 0.00 31.44 26.77 2i9h n GLU 68 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2i9h s VAL 69 N -3.22 5.12 -0.34 2.62 1.01 0.30 -4.79 120.40 121.10 2i9h s VAL 69 Ca 0.34 -3.20 0.22 0.00 0.00 0.00 0.00 61.98 59.34 2i9h s VAL 69 Cb -0.15 -4.15 -0.17 0.00 0.00 0.00 0.00 36.38 31.90 2i9h s VAL 69 CO 0.50 -1.07 0.83 -1.54 0.00 0.00 0.00 175.10 173.82 2i9h n SER 70 N 3.08 0.48 -3.03 3.32 3.41 -1.26 -4.68 113.62 114.94 2i9h n SER 70 Ca 0.18 -0.06 -0.03 0.00 -0.26 0.00 0.00 58.87 58.70 2i9h n SER 70 Cb 0.41 1.14 0.02 0.00 -0.26 0.00 0.00 64.21 65.52 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 -2.04 -0.43 -3.15 7.33 0.00 -1.26 -4.90 120.51 116.06 2i9h n ALA 71 Ca -0.00 -0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.36 2i9h n ALA 71 Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.61 0.35 0.00 0.00 0.23 -1.26 -4.20 119.30 111.80 2i9h s MET 72 Ca 0.06 0.57 0.00 0.00 -1.03 0.00 0.00 55.69 55.28 2i9h s MET 72 Cb -0.01 0.31 0.00 0.00 -1.53 0.00 0.00 34.83 33.60 2i9h s MET 72 CO 0.05 -0.42 0.00 -0.35 -2.03 0.00 0.00 175.02 172.27 2i9h n PRO 73 N 5.42 1.49 -3.76 3.16 -0.04 -1.26 -4.90 135.00 135.11 2i9h n PRO 73 Ca -0.03 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.34 2i9h n PRO 73 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 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 0.57 0.04 -0.10 0.52 2.01 -1.26 -4.11 115.64 113.31 2i9h s THR 74 Ca 0.00 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.16 2i9h s THR 74 Cb 0.00 -1.54 0.02 0.00 0.01 0.00 0.00 72.50 70.99 2i9h s THR 74 CO 0.00 -0.19 -0.10 -0.76 -0.69 0.00 0.00 174.62 172.88 2i9h s LEU 75 N -2.88 1.37 -0.10 4.42 1.43 -1.11 -2.93 118.68 118.88 2i9h s LEU 75 Ca 0.09 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 2i9h s LEU 75 Cb 0.00 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.37 2i9h s LEU 75 CO -0.04 -0.06 -0.22 -0.76 0.23 0.00 0.00 176.35 175.49 2i9h s LEU 76 N 1.34 2.04 -0.01 1.79 1.43 0.41 -1.57 118.68 124.10 2i9h s LEU 76 Ca -0.02 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 2i9h s LEU 76 Cb -0.14 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 2i9h s LEU 76 CO -0.04 0.13 -0.04 -0.76 0.23 0.00 0.00 176.35 175.87 2i9h s LEU 77 N 0.46 3.30 -0.08 1.79 1.02 0.07 -0.45 118.68 124.79 2i9h s LEU 77 Ca -0.16 -0.07 -0.04 0.00 0.02 0.00 0.00 54.13 53.87 2i9h s LEU 77 Cb -0.17 -1.86 0.04 0.00 0.02 0.00 0.00 46.19 44.22 2i9h s LEU 77 CO 0.07 0.30 0.18 -0.36 0.02 0.00 0.00 176.35 176.55 2i9h s PHE 78 N -1.00 -0.22 -0.06 0.29 0.08 -1.05 -2.87 117.98 113.14 2i9h s PHE 78 Ca 0.17 0.62 0.05 0.00 0.12 0.00 0.00 56.93 57.88 2i9h s PHE 78 Cb -0.11 -0.09 -0.02 0.00 -0.57 0.00 0.00 43.02 42.23 2i9h s PHE 78 CO 0.07 -0.22 -0.20 0.15 -0.10 0.00 0.00 175.22 174.93 2i9h s LYS 79 N 1.53 2.60 -0.89 0.44 1.02 -1.02 -1.86 119.74 121.56 2i9h s LYS 79 Ca -0.06 -0.81 -0.06 0.00 0.02 0.00 0.00 55.97 55.06 2i9h s LYS 79 Cb -0.11 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 2i9h s LYS 79 CO -0.07 0.46 0.66 0.09 -0.92 0.00 0.00 175.35 175.57 2i9h n ASN 80 N 2.76 -5.47 -3.18 2.83 4.13 -1.16 -1.08 115.26 114.10 2i9h n ASN 80 Ca -0.17 -0.82 -0.19 0.00 1.68 0.00 0.00 54.58 55.08 2i9h n ASN 80 Cb 0.52 -2.66 -0.01 0.00 -1.54 0.00 0.00 39.78 36.09 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 -1.73 -0.48 0.00 7.41 0.00 0.83 -4.34 105.19 106.89 2i9h n GLY 81 Ca -0.20 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.34 0.00 -3.82 1.61 5.02 -0.24 -4.68 118.16 112.71 2i9h n LYS 82 Ca -0.01 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.02 2i9h n LYS 82 Cb 0.53 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.55 2i9h n LYS 82 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2i9h n GLU 83 N 0.00 0.66 0.00 1.97 2.13 -1.26 -2.42 120.64 121.71 2i9h n GLU 83 Ca 0.00 -3.48 0.00 0.00 0.66 0.00 0.00 57.16 54.34 2i9h n GLU 83 Cb 0.00 0.33 0.00 0.00 0.27 0.00 0.00 31.44 32.04 2i9h n GLU 83 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2i9h n VAL 84 N -1.85 0.00 -3.46 6.31 0.24 -1.14 -3.61 118.33 114.82 2i9h n VAL 84 Ca -0.01 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.18 2i9h n VAL 84 Cb 0.64 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.98 2i9h n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2i9h s ALA 85 N -1.70 -1.70 -0.19 2.33 0.00 -1.23 -5.04 121.76 114.24 2i9h s ALA 85 Ca 0.00 0.77 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 2i9h s ALA 85 Cb 0.00 0.60 0.10 0.00 0.00 0.00 0.00 23.12 23.82 2i9h s ALA 85 CO 0.00 -0.69 0.30 -1.59 0.00 0.00 0.00 175.76 173.78 2i9h s LYS 86 N -3.22 0.24 -0.20 0.00 0.00 -1.26 -0.75 119.74 114.54 2i9h s LYS 86 Ca 0.01 0.52 -0.05 0.00 0.00 0.00 0.00 55.97 56.46 2i9h s LYS 86 Cb -0.01 -0.53 0.07 0.00 0.00 0.00 0.00 37.83 37.36 2i9h s LYS 86 CO -0.09 -0.51 0.10 0.08 0.00 0.00 0.00 175.35 174.92 2i9h s VAL 87 N 2.44 -0.02 -0.33 1.79 1.01 -0.61 -5.03 120.40 119.65 2i9h s VAL 87 Ca 0.06 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 2i9h s VAL 87 Cb -0.14 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 2i9h s VAL 87 CO -0.12 -0.39 1.71 0.54 0.00 0.00 0.00 175.10 176.83 2i9h s VAL 88 N 2.10 3.58 0.00 2.92 0.11 -1.26 -2.75 120.40 125.09 2i9h s VAL 88 Ca 0.04 0.59 0.00 0.00 -2.93 0.00 0.00 61.98 59.68 2i9h s VAL 88 Cb -0.16 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 30.93 2i9h s VAL 88 CO -0.16 -0.46 0.00 0.61 -3.33 0.00 0.00 175.10 171.76 2i9h n GLY 89 N 5.28 2.68 2.04 6.54 0.00 -1.26 -4.88 105.19 115.60 2i9h n GLY 89 Ca 0.21 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 5.49 -2.06 4.61 0.00 -1.26 -4.45 120.51 122.83 2i9h n ALA 90 Ca 0.00 -2.37 -0.41 0.00 0.00 0.00 0.00 53.44 50.66 2i9h n ALA 90 Cb 0.00 -1.51 -0.03 0.00 0.00 0.00 0.00 19.45 17.91 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 -0.67 7.06 -0.67 0.00 -0.87 -1.26 -4.75 114.94 113.78 2i9h s ASN 91 Ca 0.45 2.25 -0.14 0.00 -1.57 0.00 0.00 52.86 53.85 2i9h s ASN 91 Cb 0.35 -2.61 -0.17 0.00 -0.02 0.00 0.00 41.25 38.80 2i9h s ASN 91 CO 0.01 -0.39 1.85 -2.65 -2.57 0.00 0.00 177.10 173.34 2i9h n PRO 92 N 2.56 0.13 0.00 -0.60 -0.02 -1.26 -2.53 135.00 133.28 2i9h n PRO 92 Ca 0.05 -0.56 0.00 0.00 -2.02 0.00 0.00 63.50 60.97 2i9h n PRO 92 Cb 0.44 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 11.14 0.00 -0.03 3.55 0.00 -1.26 -5.01 120.51 128.90 2i9h n ALA 93 Ca 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.75 2i9h n ALA 93 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 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 2.27 0.22 0.00 0.00 -1.05 -4.29 120.51 117.66 2i9h n ALA 94 Ca 0.00 -0.26 0.10 0.00 0.00 0.00 0.00 53.44 53.28 2i9h n ALA 94 Cb 0.00 0.39 0.51 0.00 0.00 0.00 0.00 19.45 20.35 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 -0.13 0.00 0.01 0.00 6.09 -1.78 0.89 117.51 122.58 2i9h h ILE 95 Ca -0.15 0.00 -0.29 0.00 -1.37 0.00 0.00 64.86 63.04 2i9h h ILE 95 Cb 1.17 0.42 -0.04 0.00 0.47 0.00 0.00 36.82 38.84 2i9h h ILE 95 CO -0.07 0.00 -1.60 2.29 -3.07 0.00 0.00 178.15 175.70 2i9h n LYS 96 N -2.33 0.58 0.10 2.19 2.85 -1.26 -4.09 118.16 116.21 2i9h n LYS 96 Ca -0.01 0.49 -0.04 0.00 -1.05 0.00 0.00 58.31 57.70 2i9h n LYS 96 Cb 0.32 -1.69 0.15 0.00 -0.65 0.00 0.00 35.03 33.17 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 -0.93 0.18 -0.44 -1.58 4.20 -1.40 -2.64 115.11 112.51 2i9h h GLN 97 Ca -0.43 -0.12 0.06 0.00 0.06 0.00 0.00 58.65 58.22 2i9h h GLN 97 Cb 1.42 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.19 2i9h h GLN 97 CO -0.24 0.71 0.30 0.00 -0.67 0.00 0.00 178.83 178.93 2i9h h ALA 98 N 1.27 1.96 0.00 3.87 0.00 0.55 0.13 119.26 127.03 2i9h h ALA 98 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2i9h h ALA 98 Cb 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2i9h h ALA 98 CO 0.09 -0.04 -0.63 -0.89 0.00 0.00 0.00 179.25 177.78 2i9h n ILE 99 N -4.47 0.14 -0.04 0.00 -0.00 -1.10 -3.61 119.36 110.28 2i9h n ILE 99 Ca 0.06 -0.12 -0.03 0.00 -0.00 0.00 0.00 62.75 62.66 2i9h n ILE 99 Cb 0.25 0.13 -0.01 0.00 -0.00 0.00 0.00 39.64 40.02 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 -1.65 0.26 -0.08 -1.39 0.00 0.15 -2.03 120.51 115.77 2i9h n ALA 100 Ca 0.04 -0.30 0.23 0.00 0.00 0.00 0.00 53.44 53.41 2i9h n ALA 100 Cb 0.38 0.01 0.69 0.00 0.00 0.00 0.00 19.45 20.53 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 -1.44 2.60 0.00 0.00 0.00 -1.09 -3.15 119.26 116.18 2i9h h ALA 101 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2i9h h ALA 101 Cb 0.29 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2i9h h ALA 101 CO 0.00 -0.79 -0.18 0.09 0.00 0.00 0.00 179.25 178.37 2i9h n ASN 102 N -4.35 0.65 0.00 0.00 3.02 -1.24 -5.11 115.26 108.23 2i9h n ASN 102 Ca 0.13 0.39 0.08 0.00 -0.03 0.00 0.00 54.58 55.15 2i9h n ASN 102 Cb 0.73 -0.63 0.50 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