#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 0.08 3.17 0.11 -1.26 -4.60 120.40 117.88 2i9h s VAL 2 Ca 0.00 0.05 -0.13 0.00 -2.93 0.00 0.00 61.98 58.97 2i9h s VAL 2 Cb 0.00 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 34.16 2i9h s VAL 2 CO 0.00 0.02 0.30 -0.89 -3.33 0.00 0.00 175.10 171.20 2i9h s THR 3 N 1.11 0.09 0.54 5.04 2.01 -1.26 -5.06 115.64 118.11 2i9h s THR 3 Ca -0.07 -0.78 -0.00 0.00 0.31 0.00 0.00 61.69 61.15 2i9h s THR 3 Cb -0.06 -1.11 0.11 0.00 0.01 0.00 0.00 72.50 71.44 2i9h s THR 3 CO -0.10 -0.43 0.74 0.00 -0.69 0.00 0.00 174.62 174.14 2i9h n GLN 4 N 0.18 0.06 -3.67 4.92 3.00 -1.26 -0.38 117.38 120.24 2i9h n GLN 4 Ca -0.17 -1.99 -0.30 0.00 -0.01 0.00 0.00 57.00 54.53 2i9h n GLN 4 Cb 0.61 -0.50 -0.14 0.00 0.00 0.00 0.00 30.24 30.21 2i9h n GLN 4 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2i9h s PHE 5 N -2.22 1.44 0.21 1.08 0.08 0.33 -4.68 117.98 114.21 2i9h s PHE 5 Ca 0.49 -1.74 0.08 0.00 0.12 0.00 0.00 56.93 55.88 2i9h s PHE 5 Cb -0.03 -1.53 0.11 0.00 -0.57 0.00 0.00 43.02 41.00 2i9h s PHE 5 CO 0.32 -0.85 1.47 0.87 -0.10 0.00 0.00 175.22 176.94 2i9h h LYS 6 N 7.71 0.02 -4.76 0.44 1.79 -1.91 -2.72 116.57 117.15 2i9h h LYS 6 Ca -0.09 -0.02 -0.51 0.00 -2.18 0.00 0.00 60.65 57.84 2i9h h LYS 6 Cb 0.99 0.01 -0.32 0.00 -1.58 0.00 0.00 32.23 31.32 2i9h h LYS 6 CO 0.44 0.79 -0.82 0.95 -1.08 0.00 0.00 179.45 179.74 2i9h s THR 7 N -3.24 1.15 0.59 -0.16 -4.23 -1.26 -4.20 115.64 104.29 2i9h s THR 7 Ca -0.01 -0.52 0.29 0.00 -1.18 0.00 0.00 61.69 60.27 2i9h s THR 7 Cb 0.11 -1.03 0.36 0.00 1.34 0.00 0.00 72.50 73.29 2i9h s THR 7 CO 0.79 0.35 2.12 0.00 -0.54 0.00 0.00 174.62 177.34 2i9h h ALA 8 N 6.67 1.75 0.00 3.99 0.00 -1.94 0.97 119.26 130.70 2i9h h ALA 8 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2i9h h ALA 8 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2i9h h ALA 8 CO 0.48 -0.26 0.05 0.77 0.00 0.00 0.00 179.25 180.28 2i9h h SER 9 N 0.00 0.00 0.27 0.00 0.02 -1.99 0.82 113.55 112.68 2i9h h SER 9 Ca 0.07 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.69 2i9h h SER 9 Cb 0.44 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 2i9h h SER 9 CO -0.00 0.00 -1.90 -0.62 -1.14 0.00 0.00 176.83 173.17 2i9h n GLU 10 N -3.03 0.71 0.13 3.45 1.02 0.33 -4.13 120.64 119.12 2i9h n GLU 10 Ca -0.03 0.27 -0.01 0.00 -0.02 0.00 0.00 57.16 57.37 2i9h n GLU 10 Cb 0.11 -1.74 0.14 0.00 -0.02 0.00 0.00 31.44 29.94 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 0.04 0.00 0.14 -0.32 3.57 -1.22 -3.19 116.94 115.96 2i9h h PHE 11 Ca -0.37 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.14 2i9h h PHE 11 Cb 2.03 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.73 2i9h h PHE 11 CO 0.04 0.65 -0.39 0.22 -2.23 0.00 0.00 178.31 176.60 2i9h h ASP 12 N 0.00 -1.14 -0.70 0.41 3.58 -1.05 -2.10 116.42 115.42 2i9h h ASP 12 Ca -0.01 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 2i9h h ASP 12 Cb 1.18 0.43 -0.03 0.00 1.72 0.00 0.00 39.33 42.62 2i9h h ASP 12 CO 0.08 -0.47 0.40 0.77 -2.88 0.00 0.00 179.24 177.14 2i9h h SER 13 N -0.64 0.87 -0.43 2.28 4.64 -1.75 -1.53 113.55 117.00 2i9h h SER 13 Ca 0.02 -0.06 0.09 0.00 -0.47 0.00 0.00 61.79 61.37 2i9h h SER 13 Cb 0.66 -0.22 -0.09 0.00 -0.31 0.00 0.00 62.40 62.44 2i9h h SER 13 CO -0.22 0.69 -0.21 0.00 -0.87 0.00 0.00 176.83 176.23 2i9h h ALA 14 N 1.45 0.10 0.00 5.18 0.00 -1.38 -2.90 119.26 121.71 2i9h h ALA 14 Ca 0.25 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 2i9h h ALA 14 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2i9h h ALA 14 CO -0.04 -0.57 -0.12 -0.84 0.00 0.00 0.00 179.25 177.68 2i9h h ILE 15 N -0.12 1.60 -0.20 0.00 3.07 -1.28 -3.40 117.51 117.18 2i9h h ILE 15 Ca 0.21 -1.92 -0.44 0.00 1.55 0.00 0.00 64.86 64.26 2i9h h ILE 15 Cb 0.44 2.85 -0.08 0.00 -0.27 0.00 0.00 36.82 39.77 2i9h h ILE 15 CO -0.51 0.51 1.74 0.00 -1.05 0.00 0.00 178.15 178.84 2i9h n ALA 16 N -2.52 0.55 -3.10 0.16 0.00 -0.59 0.27 120.51 115.28 2i9h n ALA 16 Ca -0.10 -0.53 -0.04 0.00 0.00 0.00 0.00 53.44 52.78 2i9h n ALA 16 Cb 0.45 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.45 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 7.87 -1.23 -2.06 0.00 6.02 -1.26 -4.65 117.38 122.07 2i9h n GLN 17 Ca 0.62 1.34 -0.01 0.00 -0.01 0.00 0.00 57.00 58.95 2i9h n GLN 17 Cb 0.13 -2.25 0.06 0.00 1.02 0.00 0.00 30.24 29.20 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 0.98 -0.73 0.00 1.08 -0.08 -1.19 -4.89 116.55 111.72 2i9h n ASP 18 Ca -0.00 -1.60 0.00 0.00 -1.51 0.00 0.00 54.79 51.68 2i9h n ASP 18 Cb 0.40 0.34 0.00 0.00 2.34 0.00 0.00 41.12 44.20 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 -0.77 0.00 -3.42 -0.67 5.02 -1.26 -4.58 118.16 112.48 2i9h n LYS 19 Ca -0.09 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.79 2i9h n LYS 19 Cb 0.69 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.60 2i9h n LYS 19 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2i9h s LEU 20 N 0.00 4.55 -0.23 -0.35 2.96 -1.26 -3.36 118.68 121.00 2i9h s LEU 20 Ca 0.00 -0.37 -0.08 0.00 -0.22 0.00 0.00 54.13 53.46 2i9h s LEU 20 Cb 0.00 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 2i9h s LEU 20 CO 0.00 -0.36 0.09 -0.69 -1.32 0.00 0.00 176.35 174.07 2i9h s VAL 21 N 1.96 4.72 -0.64 1.68 1.01 -1.02 -1.37 120.40 126.74 2i9h s VAL 21 Ca 0.10 -0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 2i9h s VAL 21 Cb -0.17 -3.19 0.16 0.00 0.00 0.00 0.00 36.38 33.18 2i9h s VAL 21 CO 0.12 0.37 0.60 -0.69 0.00 0.00 0.00 175.10 175.49 2i9h s VAL 22 N 1.14 5.33 -0.18 2.92 1.01 0.15 -2.70 120.40 128.07 2i9h s VAL 22 Ca 0.05 -1.81 -0.08 0.00 0.00 0.00 0.00 61.98 60.15 2i9h s VAL 22 Cb -0.14 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 2i9h s VAL 22 CO 0.04 -0.93 0.07 -0.69 0.00 0.00 0.00 175.10 173.58 2i9h s VAL 23 N 1.17 4.85 -0.19 2.92 1.01 -0.03 -2.40 120.40 127.73 2i9h s VAL 23 Ca 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 2i9h s VAL 23 Cb -0.23 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 2i9h s VAL 23 CO -0.01 0.46 0.14 -0.62 0.00 0.00 0.00 175.10 175.08 2i9h s ASP 24 N 0.34 6.25 -0.83 3.32 -1.08 -1.20 -0.54 116.67 122.94 2i9h s ASP 24 Ca 0.04 0.29 -0.02 0.00 -0.52 0.00 0.00 52.55 52.33 2i9h s ASP 24 Cb -0.12 -2.10 0.31 0.00 -1.46 0.00 0.00 42.92 39.56 2i9h s ASP 24 CO -0.00 0.20 2.10 0.49 0.52 0.00 0.00 175.17 178.48 2i9h n PHE 25 N 3.31 2.81 -1.66 -5.34 3.01 -0.67 0.17 117.46 119.09 2i9h n PHE 25 Ca -0.16 -2.30 -0.45 0.00 1.01 0.00 0.00 57.45 55.55 2i9h n PHE 25 Cb 0.52 -1.22 -0.02 0.00 -0.01 0.00 0.00 39.48 38.75 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 -0.33 2.05 -1.10 1.38 0.18 -1.24 -4.34 117.16 113.77 2i9h n TYR 26 Ca 0.53 0.48 -0.33 0.00 1.88 0.00 0.00 57.90 60.46 2i9h n TYR 26 Cb 0.27 -2.43 0.13 0.00 -0.38 0.00 0.00 39.34 36.93 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 -0.24 1.83 -2.14 -3.48 0.00 -1.26 -3.51 121.76 112.96 2i9h s ALA 27 Ca 0.67 0.80 0.17 0.00 0.00 0.00 0.00 51.96 53.59 2i9h s ALA 27 Cb -0.66 -3.48 0.65 0.00 0.00 0.00 0.00 23.12 19.63 2i9h s ALA 27 CO 0.52 -2.30 1.46 -2.37 0.00 0.00 0.00 175.76 173.08 2i9h n THR 28 N -3.37 0.22 0.00 0.00 5.66 -1.26 -4.12 114.28 111.42 2i9h n THR 28 Ca 0.13 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 2i9h n THR 28 Cb 0.51 0.20 0.00 0.00 -1.55 0.00 0.00 70.33 69.49 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 0.13 0.00 0.00 1.09 4.27 -1.26 -4.92 117.44 116.75 2i9h n TRP 29 Ca 0.14 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.75 2i9h n TRP 29 Cb 0.25 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.20 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 -0.85 2.31 0.34 0.00 0.00 -1.26 -4.83 105.19 100.89 2i9h n GLY 31 Ca 0.00 -0.66 0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.78 1.61 0.13 -1.98 -1.82 132.00 129.16 2i9h h PRO 32 Ca 0.00 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.30 2i9h h PRO 32 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2i9h h PRO 32 CO 0.00 0.00 0.53 0.00 -0.23 0.00 0.00 178.00 178.30 2i9h h LYS 34 N 0.33 0.00 0.00 0.00 1.57 -1.69 -1.63 116.57 115.15 2i9h h LYS 34 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2i9h h LYS 34 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2i9h h LYS 34 CO -0.11 0.07 0.00 -1.33 -0.57 0.00 0.00 179.45 177.51 2i9h n MET 35 N -3.40 0.11 0.12 3.15 2.81 0.84 -1.81 117.12 118.93 2i9h n MET 35 Ca -0.02 0.21 0.12 0.00 -1.81 0.00 0.00 57.70 56.20 2i9h n MET 35 Cb 0.22 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.28 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 0.00 -0.76 2.02 2.04 -1.42 -3.37 117.51 116.02 2i9h h ILE 36 Ca 0.00 -0.93 0.12 0.00 1.00 0.00 0.00 64.86 65.06 2i9h h ILE 36 Cb 0.16 1.53 -0.08 0.00 -0.74 0.00 0.00 36.82 37.68 2i9h h ILE 36 CO 0.00 0.00 0.36 0.00 0.00 0.00 0.00 178.15 178.51 2i9h h ALA 37 N 2.07 1.08 -0.18 1.87 0.00 -1.52 0.34 119.26 122.93 2i9h h ALA 37 Ca 0.00 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 2i9h h ALA 37 Cb 0.96 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2i9h h ALA 37 CO 0.00 -0.10 -0.59 -1.00 0.00 0.00 0.00 179.25 177.56 2i9h h PRO 38 N 0.56 0.58 0.47 0.00 0.13 -1.78 -3.02 132.00 128.94 2i9h h PRO 38 Ca 0.40 -0.39 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 2i9h h PRO 38 Cb 0.52 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.70 2i9h h PRO 38 CO -0.33 1.00 -0.22 0.52 -0.23 0.00 0.00 178.00 178.74 2i9h h MET 39 N 0.44 -0.60 -1.14 0.86 2.86 -1.51 -1.93 114.93 113.92 2i9h h MET 39 Ca -0.00 0.04 0.33 0.00 -2.06 0.00 0.00 59.70 58.01 2i9h h MET 39 Cb 1.15 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.90 2i9h h MET 39 CO 0.11 -0.31 1.02 0.82 1.06 0.00 0.00 176.91 179.61 2i9h h ILE 40 N -0.86 0.17 0.25 -1.22 2.04 -0.38 0.97 117.51 118.48 2i9h h ILE 40 Ca -0.06 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.46 2i9h h ILE 40 Cb 0.57 0.23 0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2i9h h ILE 40 CO 0.11 0.00 -1.52 -0.08 0.00 0.00 0.00 178.15 176.66 2i9h h GLU 41 N 0.00 0.52 -0.07 2.37 4.81 -1.30 -3.28 114.58 117.63 2i9h h GLU 41 Ca 0.54 -0.89 -0.05 0.00 -0.13 0.00 0.00 59.36 58.83 2i9h h GLU 41 Cb 2.57 0.33 -0.01 0.00 0.63 0.00 0.00 28.75 32.27 2i9h h GLU 41 CO -0.01 1.43 -0.16 0.87 -0.73 0.00 0.00 179.01 180.41 2i9h h LYS 42 N 0.14 0.11 0.00 1.92 1.57 0.17 -1.96 116.57 118.52 2i9h h LYS 42 Ca -0.27 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2i9h h LYS 42 Cb 2.16 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.46 2i9h h LYS 42 CO 0.26 0.28 0.00 0.74 -0.57 0.00 0.00 179.45 180.17 2i9h h PHE 43 N 0.11 0.00 0.00 -1.35 -1.00 -1.43 -2.97 116.94 110.30 2i9h h PHE 43 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2i9h h PHE 43 Cb 0.36 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.92 2i9h h PHE 43 CO 0.00 0.00 0.00 0.45 -1.61 0.00 0.00 178.31 177.15 2i9h n SER 44 N -2.96 0.00 0.02 2.17 2.88 -0.74 -2.46 113.62 112.53 2i9h n SER 44 Ca 0.03 0.15 -0.02 0.00 -1.33 0.00 0.00 58.87 57.69 2i9h n SER 44 Cb 0.41 -0.35 -0.10 0.00 -0.75 0.00 0.00 64.21 63.43 2i9h n SER 44 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2i9h n GLU 45 N -1.35 0.62 -0.01 -1.46 1.02 -1.12 -2.92 120.64 115.42 2i9h n GLU 45 Ca 0.08 0.24 -0.07 0.00 -0.02 0.00 0.00 57.16 57.40 2i9h n GLU 45 Cb 0.17 -1.80 -0.13 0.00 -0.02 0.00 0.00 31.44 29.66 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 -2.93 0.63 -2.44 3.49 6.02 -1.07 -4.35 117.38 116.74 2i9h n GLN 46 Ca -0.12 0.28 -0.23 0.00 -0.01 0.00 0.00 57.00 56.93 2i9h n GLN 46 Cb 0.90 -1.79 0.01 0.00 1.02 0.00 0.00 30.24 30.37 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 -3.00 2.86 -0.25 1.08 4.01 -1.03 -4.92 117.16 115.91 2i9h n TYR 47 Ca -0.15 -2.86 0.21 0.00 -0.16 0.00 0.00 57.90 54.94 2i9h n TYR 47 Cb 1.00 -0.18 0.40 0.00 -0.31 0.00 0.00 39.34 40.25 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 -0.47 -0.05 -0.16 -0.72 -0.02 -1.15 0.16 135.00 132.59 2i9h n PRO 48 Ca 0.34 1.07 0.12 0.00 -2.02 0.00 0.00 63.50 63.02 2i9h n PRO 48 Cb 0.75 -1.87 0.46 0.00 -0.02 0.00 0.00 33.50 32.81 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 0.50 -6.07 -0.52 4.20 -1.91 -3.40 115.11 107.92 2i9h h GLN 49 Ca 0.60 -0.03 -0.57 0.00 0.06 0.00 0.00 58.65 58.71 2i9h h GLN 49 Cb 1.53 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 29.15 2i9h h GLN 49 CO -0.62 0.33 -0.05 0.00 -0.67 0.00 0.00 178.83 177.83 2i9h s ALA 50 N -5.49 3.52 -0.22 3.87 0.00 0.42 -4.36 121.76 119.49 2i9h s ALA 50 Ca -0.08 -0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.66 2i9h s ALA 50 Cb 0.20 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 2i9h s ALA 50 CO 0.77 0.22 0.62 -0.51 0.00 0.00 0.00 175.76 176.85 2i9h s ASP 51 N -0.34 6.63 -1.00 0.00 1.11 -0.47 -4.88 116.67 117.71 2i9h s ASP 51 Ca 0.30 0.76 -0.12 0.00 0.18 0.00 0.00 52.55 53.67 2i9h s ASP 51 Cb -0.18 -2.34 0.24 0.00 1.07 0.00 0.00 42.92 41.71 2i9h s ASP 51 CO 0.16 -0.31 1.02 -0.36 1.18 0.00 0.00 175.17 176.86 2i9h s PHE 52 N 2.16 3.93 0.29 4.23 0.40 -1.26 0.33 117.98 128.05 2i9h s PHE 52 Ca 0.27 -2.29 0.04 0.00 -0.60 0.00 0.00 56.93 54.35 2i9h s PHE 52 Cb -0.16 -3.91 0.05 0.00 0.51 0.00 0.00 43.02 39.52 2i9h s PHE 52 CO 0.09 -1.05 0.40 0.66 0.70 0.00 0.00 175.22 176.03 2i9h n TYR 53 N 3.73 -2.73 -3.73 0.36 4.01 -1.01 -4.09 117.16 113.70 2i9h n TYR 53 Ca 0.21 -1.00 -0.12 0.00 -0.16 0.00 0.00 57.90 56.83 2i9h n TYR 53 Cb 0.43 -0.28 -0.12 0.00 -0.31 0.00 0.00 39.34 39.06 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 -3.34 0.30 -0.11 -0.72 1.02 0.49 -3.28 119.74 114.09 2i9h s LYS 54 Ca 0.30 0.57 -0.18 0.00 0.02 0.00 0.00 55.97 56.68 2i9h s LYS 54 Cb -0.02 -0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.23 2i9h s LYS 54 CO 0.19 -0.13 0.47 -1.17 -0.92 0.00 0.00 175.35 173.80 2i9h s LEU 55 N 1.01 4.29 -0.13 3.17 1.98 0.46 0.12 118.68 129.58 2i9h s LEU 55 Ca -0.07 0.83 -0.23 0.00 -2.89 0.00 0.00 54.13 51.77 2i9h s LEU 55 Cb -0.08 -2.69 -0.03 0.00 0.66 0.00 0.00 46.19 44.06 2i9h s LEU 55 CO -0.07 0.02 0.73 -1.81 -1.89 0.00 0.00 176.35 173.33 2i9h s ASP 56 N 0.50 6.91 -0.18 3.68 1.01 -1.03 -3.61 116.67 123.94 2i9h s ASP 56 Ca 0.26 1.10 0.13 0.00 0.71 0.00 0.00 52.55 54.75 2i9h s ASP 56 Cb -0.15 -2.41 0.70 0.00 1.01 0.00 0.00 42.92 42.06 2i9h s ASP 56 CO 0.11 -0.25 1.57 0.52 0.21 0.00 0.00 175.17 177.33 2i9h n VAL 57 N 4.31 2.23 -0.05 -1.27 0.31 -1.23 -3.35 118.33 119.28 2i9h n VAL 57 Ca 0.01 -1.17 -0.07 0.00 -0.01 0.00 0.00 64.34 63.09 2i9h n VAL 57 Cb 0.50 -0.23 -0.05 0.00 -0.91 0.00 0.00 33.84 33.15 2i9h n VAL 57 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2i9h n ASP 58 N 0.63 3.10 -0.00 4.52 5.68 -1.26 -4.05 116.55 125.17 2i9h n ASP 58 Ca 0.24 -0.05 0.10 0.00 -0.50 0.00 0.00 54.79 54.58 2i9h n ASP 58 Cb 1.02 -0.09 -0.14 0.00 -1.14 0.00 0.00 41.12 40.77 2i9h n ASP 58 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2i9h n GLU 59 N -2.78 0.27 -0.01 0.11 4.07 -1.26 -4.72 120.64 116.32 2i9h n GLU 59 Ca -0.19 -0.08 -0.01 0.00 -0.06 0.00 0.00 57.16 56.82 2i9h n GLU 59 Cb 0.72 -1.51 -0.00 0.00 -0.06 0.00 0.00 31.44 30.59 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 -1.80 0.16 0.00 4.31 4.32 -1.21 -4.89 117.00 117.89 2i9h n LEU 60 Ca 0.01 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 2i9h n LEU 60 Cb 0.42 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 2i9h n LEU 60 CO 0.44 -0.49 0.00 0.61 -1.22 0.00 0.00 177.39 176.73 2i9h n GLY 61 N 1.97 0.68 0.29 -0.72 0.00 -1.26 -4.33 105.19 101.82 2i9h n GLY 61 Ca -0.01 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.05 2i9h n GLY 61 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2i9h h ASP 62 N 0.00 0.44 0.33 1.61 5.19 -1.95 -2.34 116.42 119.70 2i9h h ASP 62 Ca 0.00 0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.48 2i9h h ASP 62 Cb 0.00 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.53 2i9h h ASP 62 CO 0.00 0.20 -0.17 0.58 -3.12 0.00 0.00 179.24 176.74 2i9h h VAL 63 N 0.57 0.66 -0.53 -1.35 2.07 -1.96 0.97 116.25 116.68 2i9h h VAL 63 Ca 0.42 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.09 2i9h h VAL 63 Cb 0.57 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2i9h h VAL 63 CO -0.35 0.00 0.55 0.00 0.02 0.00 0.00 177.57 177.80 2i9h h ALA 64 N 0.22 2.29 0.10 1.67 0.00 -1.73 0.13 119.26 121.94 2i9h h ALA 64 Ca -0.04 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 2i9h h ALA 64 Cb 0.35 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2i9h h ALA 64 CO 0.07 -0.83 -1.95 0.94 0.00 0.00 0.00 179.25 177.48 2i9h n GLN 65 N -3.71 0.74 -0.27 0.00 -0.06 -0.44 0.14 117.38 113.77 2i9h n GLN 65 Ca 0.10 0.27 -0.05 0.00 -2.00 0.00 0.00 57.00 55.32 2i9h n GLN 65 Cb 0.76 -1.72 0.06 0.00 -4.06 0.00 0.00 30.24 25.28 2i9h n GLN 65 CO 0.00 0.00 0.00 1.57 -0.20 0.00 0.00 177.06 178.43 2i9h h LYS 66 N 0.06 1.03 -0.01 3.69 5.09 0.35 -0.91 116.57 125.88 2i9h h LYS 66 Ca -0.40 -0.10 0.00 0.00 0.09 0.00 0.00 60.65 60.24 2i9h h LYS 66 Cb 2.03 -0.21 0.00 0.00 0.10 0.00 0.00 32.23 34.15 2i9h h LYS 66 CO 0.09 0.74 -0.05 0.09 -2.09 0.00 0.00 179.45 178.23 2i9h n ASN 67 N -4.49 0.64 -2.68 7.07 3.02 -0.28 -4.92 115.26 113.64 2i9h n ASN 67 Ca 0.07 -0.98 -0.18 0.00 -0.03 0.00 0.00 54.58 53.46 2i9h n ASN 67 Cb 0.07 -0.03 0.05 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.63 -5.28 -3.27 3.52 1.02 -0.35 -4.96 120.64 110.69 2i9h n GLU 68 Ca 0.19 0.65 -0.31 0.00 -0.02 0.00 0.00 57.16 57.66 2i9h n GLU 68 Cb 0.25 -5.07 -0.05 0.00 -0.02 0.00 0.00 31.44 26.54 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 -4.34 3.23 0.88 2.62 0.31 0.37 -4.80 118.33 116.60 2i9h n VAL 69 Ca -0.02 -5.44 0.13 0.00 -0.01 0.00 0.00 64.34 59.00 2i9h n VAL 69 Cb 0.56 -2.03 0.47 0.00 -0.91 0.00 0.00 33.84 31.93 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 0.86 0.32 -3.07 4.52 3.41 -1.22 -4.68 113.62 113.76 2i9h n SER 70 Ca 0.29 0.36 -0.05 0.00 -0.26 0.00 0.00 58.87 59.22 2i9h n SER 70 Cb 0.39 -0.39 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.59 -0.85 -3.15 7.33 0.00 -1.26 -4.88 120.51 116.11 2i9h n ALA 71 Ca 0.06 -0.25 0.05 0.00 0.00 0.00 0.00 53.44 53.31 2i9h n ALA 71 Cb 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.73 0.24 0.56 0.00 0.23 -1.26 -4.13 119.30 112.21 2i9h s MET 72 Ca 0.11 0.38 0.02 0.00 -1.03 0.00 0.00 55.69 55.16 2i9h s MET 72 Cb -0.02 0.20 0.05 0.00 -1.53 0.00 0.00 34.83 33.53 2i9h s MET 72 CO 0.09 -0.30 0.79 -1.25 -2.03 0.00 0.00 175.02 172.31 2i9h s PRO 73 N 2.94 2.44 0.06 3.16 0.04 -1.26 -4.87 135.00 137.52 2i9h s PRO 73 Ca 0.07 -0.88 0.02 0.00 0.04 0.00 0.00 61.00 60.25 2i9h s PRO 73 Cb -0.09 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 2i9h s PRO 73 CO -0.15 -0.78 -0.07 0.99 0.04 0.00 0.00 177.00 177.03 2i9h s THR 74 N -2.78 0.57 -0.16 1.26 2.01 -1.26 -3.58 115.64 111.70 2i9h s THR 74 Ca 0.58 -1.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 2i9h s THR 74 Cb -0.10 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 2i9h s THR 74 CO 0.39 -0.57 -0.13 -0.76 -0.69 0.00 0.00 174.62 172.86 2i9h s LEU 75 N -2.11 2.60 -0.10 4.42 1.43 -1.00 -1.68 118.68 122.25 2i9h s LEU 75 Ca -0.02 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 2i9h s LEU 75 Cb -0.04 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.58 2i9h s LEU 75 CO -0.02 0.09 -0.20 -0.76 0.23 0.00 0.00 176.35 175.69 2i9h s LEU 76 N 0.82 1.96 0.03 1.79 1.43 0.30 -0.90 118.68 124.10 2i9h s LEU 76 Ca -0.04 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 2i9h s LEU 76 Cb -0.15 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 2i9h s LEU 76 CO 0.00 0.11 -0.04 -0.76 0.23 0.00 0.00 176.35 175.90 2i9h s LEU 77 N 0.53 3.32 -0.10 1.79 1.02 0.10 -0.85 118.68 124.48 2i9h s LEU 77 Ca -0.16 -0.13 -0.05 0.00 0.02 0.00 0.00 54.13 53.81 2i9h s LEU 77 Cb -0.17 -1.95 0.05 0.00 0.02 0.00 0.00 46.19 44.14 2i9h s LEU 77 CO 0.06 0.25 0.23 -0.36 0.02 0.00 0.00 176.35 176.55 2i9h s PHE 78 N -1.10 -0.31 -0.13 0.29 0.08 -1.10 -3.05 117.98 112.66 2i9h s PHE 78 Ca 0.20 0.75 -0.02 0.00 0.12 0.00 0.00 56.93 57.98 2i9h s PHE 78 Cb -0.11 0.01 -0.03 0.00 -0.57 0.00 0.00 43.02 42.32 2i9h s PHE 78 CO 0.11 -0.23 -0.05 0.15 -0.10 0.00 0.00 175.22 175.09 2i9h s LYS 79 N 1.38 3.39 -1.17 0.44 -0.14 -1.04 -2.44 119.74 120.17 2i9h s LYS 79 Ca -0.08 -0.53 -0.29 0.00 -1.36 0.00 0.00 55.97 53.71 2i9h s LYS 79 Cb -0.11 -2.81 0.02 0.00 -1.68 0.00 0.00 37.83 33.26 2i9h s LYS 79 CO -0.08 0.37 0.73 0.09 -0.76 0.00 0.00 175.35 175.70 2i9h n ASN 80 N 3.14 -4.68 -1.31 2.83 4.13 -1.21 0.30 115.26 118.45 2i9h n ASN 80 Ca -0.18 -1.17 -0.16 0.00 1.68 0.00 0.00 54.58 54.75 2i9h n ASN 80 Cb 0.53 -2.39 -0.07 0.00 -1.54 0.00 0.00 39.78 36.31 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 -1.92 1.49 0.00 7.41 0.00 0.77 -4.08 105.19 108.86 2i9h n GLY 81 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.77 3.58 -3.83 1.61 5.02 0.15 -4.67 118.16 118.24 2i9h n LYS 82 Ca -0.16 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.88 2i9h n LYS 82 Cb 0.57 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.57 2i9h n LYS 82 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2i9h s GLU 83 N 1.11 2.29 0.00 1.97 2.12 -1.26 -2.49 118.70 122.44 2i9h s GLU 83 Ca 0.00 -1.93 0.00 0.00 0.36 0.00 0.00 54.97 53.40 2i9h s GLU 83 Cb 0.00 -2.15 0.00 0.00 0.26 0.00 0.00 34.13 32.24 2i9h s GLU 83 CO 0.00 -0.53 0.00 1.33 -0.54 0.00 0.00 175.26 175.52 2i9h n VAL 84 N -1.71 0.00 -3.49 3.70 0.24 -1.17 -3.59 118.33 112.30 2i9h n VAL 84 Ca -0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 2i9h n VAL 84 Cb 0.64 0.00 -0.03 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 -1.62 -1.78 -0.22 2.33 0.00 -1.23 -5.03 121.76 114.21 2i9h s ALA 85 Ca 0.00 0.99 -0.05 0.00 0.00 0.00 0.00 51.96 52.90 2i9h s ALA 85 Cb 0.00 0.37 0.11 0.00 0.00 0.00 0.00 23.12 23.60 2i9h s ALA 85 CO 0.00 -0.64 0.40 -1.59 0.00 0.00 0.00 175.76 173.92 2i9h s LYS 86 N -2.90 0.33 -0.23 0.00 -2.85 -1.26 0.03 119.74 112.87 2i9h s LYS 86 Ca 0.02 0.78 -0.03 0.00 -1.00 0.00 0.00 55.97 55.74 2i9h s LYS 86 Cb -0.01 -0.08 0.07 0.00 -2.06 0.00 0.00 37.83 35.76 2i9h s LYS 86 CO -0.07 -0.45 0.07 0.08 0.10 0.00 0.00 175.35 175.07 2i9h s VAL 87 N 2.58 0.42 -0.64 1.79 1.01 -0.08 -5.01 120.40 120.48 2i9h s VAL 87 Ca 0.06 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.08 2i9h s VAL 87 Cb -0.14 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2i9h s VAL 87 CO -0.14 -0.38 2.05 0.54 0.00 0.00 0.00 175.10 177.16 2i9h s VAL 88 N 1.88 3.26 0.00 2.92 0.11 -1.26 -2.37 120.40 124.94 2i9h s VAL 88 Ca 0.03 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 2i9h s VAL 88 Cb -0.17 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.02 2i9h s VAL 88 CO -0.16 -0.64 0.00 0.61 -3.33 0.00 0.00 175.10 171.59 2i9h n GLY 89 N 6.02 2.19 2.14 6.54 0.00 -1.23 -4.87 105.19 115.98 2i9h n GLY 89 Ca 0.29 0.01 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 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 5.64 -2.19 4.61 0.00 -1.26 -4.39 120.51 122.92 2i9h n ALA 90 Ca 0.00 -2.75 -0.41 0.00 0.00 0.00 0.00 53.44 50.28 2i9h n ALA 90 Cb 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 19.45 17.86 2i9h n ALA 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i9h s ASN 91 N -1.13 7.30 -0.77 0.00 4.22 -1.26 -4.76 114.94 118.55 2i9h s ASN 91 Ca 0.52 1.98 -0.11 0.00 -2.14 0.00 0.00 52.86 53.11 2i9h s ASN 91 Cb 0.42 -2.59 -0.23 0.00 1.28 0.00 0.00 41.25 40.13 2i9h s ASN 91 CO 0.03 -0.22 1.96 -2.65 -2.04 0.00 0.00 177.10 174.19 2i9h n PRO 92 N 2.76 0.10 0.00 3.55 -0.02 -1.26 -2.79 135.00 137.34 2i9h n PRO 92 Ca 0.04 -0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 2i9h n PRO 92 Cb 0.47 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 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 8.57 0.00 0.00 3.55 0.00 -1.26 -5.01 120.51 126.36 2i9h n ALA 93 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2i9h n ALA 93 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 2.19 0.27 0.00 0.00 -1.12 -4.50 120.51 117.35 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 0.40 0.54 0.00 0.00 0.00 0.00 19.45 20.39 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 0.00 0.00 6.09 -1.77 0.83 117.51 122.66 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 0.81 0.44 -0.04 0.00 0.47 0.00 0.00 36.82 38.49 2i9h h ILE 95 CO 0.00 0.00 -1.54 2.29 -3.07 0.00 0.00 178.15 175.83 2i9h n LYS 96 N -2.51 0.57 0.11 2.19 2.85 -1.26 -4.16 118.16 115.95 2i9h n LYS 96 Ca -0.01 0.50 -0.01 0.00 -1.05 0.00 0.00 58.31 57.74 2i9h n LYS 96 Cb 0.43 -1.69 0.27 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 -1.00 0.19 -0.29 -1.58 4.20 -1.40 -2.55 115.11 112.68 2i9h h GLN 97 Ca -0.42 -0.08 0.08 0.00 0.06 0.00 0.00 58.65 58.28 2i9h h GLN 97 Cb 1.35 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 2i9h h GLN 97 CO -0.25 0.54 0.21 0.00 -0.67 0.00 0.00 178.83 178.65 2i9h h ALA 98 N 1.46 2.22 -0.00 3.87 0.00 0.42 0.17 119.26 127.40 2i9h h ALA 98 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2i9h h ALA 98 Cb 0.72 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2i9h h ALA 98 CO 0.05 -0.29 -0.49 -0.89 0.00 0.00 0.00 179.25 177.63 2i9h n ILE 99 N -4.46 0.00 -0.03 0.00 -0.00 -0.97 -3.69 119.36 110.20 2i9h n ILE 99 Ca 0.04 -0.01 -0.02 0.00 -0.00 0.00 0.00 62.75 62.76 2i9h n ILE 99 Cb 0.34 0.26 -0.01 0.00 -0.00 0.00 0.00 39.64 40.24 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 -1.45 0.20 0.08 -1.39 0.00 0.50 -2.43 120.51 116.02 2i9h n ALA 100 Ca 0.06 -0.26 0.20 0.00 0.00 0.00 0.00 53.44 53.44 2i9h n ALA 100 Cb 0.34 0.01 0.75 0.00 0.00 0.00 0.00 19.45 20.54 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 -1.56 2.18 0.00 0.00 0.00 -1.50 -2.96 119.26 115.42 2i9h h ALA 101 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2i9h h ALA 101 Cb 0.23 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2i9h h ALA 101 CO 0.00 -0.61 -0.47 -0.91 0.00 0.00 0.00 179.25 177.26 2i9h h ASN 102 N 0.00 0.00 0.00 0.00 2.35 -1.75 -3.52 115.58 112.66 2i9h h ASN 102 Ca 0.20 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2i9h h ASN 102 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 2i9h h ASN 102 CO -0.00 0.74 0.00 0.00 -1.65 0.00 0.00 177.43 176.51