#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9h n VAL 2 N 0.00 -3.57 -3.82 3.17 3.14 -1.26 -4.97 118.33 111.02 2i9h n VAL 2 Ca 0.00 1.65 -0.10 0.00 -2.96 0.00 0.00 64.34 62.94 2i9h n VAL 2 Cb 0.00 -2.16 -0.06 0.00 -1.06 0.00 0.00 33.84 30.56 2i9h n VAL 2 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2i9h s THR 3 N -1.95 0.08 0.57 1.55 2.01 -1.22 -5.04 115.64 111.65 2i9h s THR 3 Ca 0.00 -1.04 0.09 0.00 0.31 0.00 0.00 61.69 61.06 2i9h s THR 3 Cb 0.00 -1.50 0.08 0.00 0.01 0.00 0.00 72.50 71.10 2i9h s THR 3 CO 0.00 -0.37 0.76 -1.10 -0.69 0.00 0.00 174.62 173.21 2i9h s GLN 4 N -3.88 2.29 -0.32 4.92 -0.21 -1.26 0.16 119.66 121.36 2i9h s GLN 4 Ca 0.09 -1.69 -0.01 0.00 0.02 0.00 0.00 55.36 53.77 2i9h s GLN 4 Cb 0.03 -2.59 0.11 0.00 1.00 0.00 0.00 33.01 31.55 2i9h s GLN 4 CO -0.06 -0.85 0.12 -0.06 -2.12 0.00 0.00 175.29 172.32 2i9h s PHE 5 N -2.69 1.51 -0.01 0.91 0.08 0.34 -4.68 117.98 113.43 2i9h s PHE 5 Ca 0.59 -1.69 0.11 0.00 0.12 0.00 0.00 56.93 56.06 2i9h s PHE 5 Cb -0.05 -1.59 -0.14 0.00 -0.57 0.00 0.00 43.02 40.67 2i9h s PHE 5 CO 0.37 -0.86 1.12 0.87 -0.10 0.00 0.00 175.22 176.63 2i9h h LYS 6 N 7.94 0.00 -4.84 0.44 1.79 -1.91 -2.88 116.57 117.11 2i9h h LYS 6 Ca -0.12 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.73 2i9h h LYS 6 Cb 1.00 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.30 2i9h h LYS 6 CO 0.46 0.68 -0.84 0.95 -1.08 0.00 0.00 179.45 179.62 2i9h s THR 7 N -2.77 1.70 0.58 -0.16 -4.23 -1.26 -4.54 115.64 104.96 2i9h s THR 7 Ca -0.00 -0.74 0.29 0.00 -1.18 0.00 0.00 61.69 60.06 2i9h s THR 7 Cb 0.09 -1.55 0.40 0.00 1.34 0.00 0.00 72.50 72.77 2i9h s THR 7 CO 0.80 0.48 1.87 0.00 -0.54 0.00 0.00 174.62 177.23 2i9h h ALA 8 N 7.71 2.30 0.00 3.99 0.00 -1.94 0.47 119.26 131.79 2i9h h ALA 8 Ca -0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2i9h h ALA 8 Cb 1.16 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2i9h h ALA 8 CO 0.54 -0.82 0.04 1.03 0.00 0.00 0.00 179.25 180.04 2i9h h SER 9 N 0.00 0.00 0.43 0.00 0.87 -1.99 -0.46 113.55 112.40 2i9h h SER 9 Ca 0.26 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.51 2i9h h SER 9 Cb 1.33 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.24 2i9h h SER 9 CO -0.00 0.00 -1.78 -0.62 -0.53 0.00 0.00 176.83 173.90 2i9h n GLU 10 N -3.03 0.65 -0.09 2.24 1.02 0.17 -3.95 120.64 117.64 2i9h n GLU 10 Ca -0.03 0.28 0.05 0.00 -0.02 0.00 0.00 57.16 57.44 2i9h n GLU 10 Cb 0.10 -1.77 0.19 0.00 -0.02 0.00 0.00 31.44 29.94 2i9h n GLU 10 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2i9h n PHE 11 N -3.08 0.25 -0.06 -0.32 7.35 -0.24 -3.80 117.46 117.57 2i9h n PHE 11 Ca -0.19 -0.12 -0.03 0.00 -0.76 0.00 0.00 57.45 56.34 2i9h n PHE 11 Cb 1.06 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.88 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 1.30 0.00 0.60 -2.13 3.58 -1.54 -3.37 116.42 114.86 2i9h h ASP 12 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2i9h h ASP 12 Cb 0.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2i9h h ASP 12 CO 0.00 0.65 0.00 -1.28 -2.88 0.00 0.00 179.24 175.73 2i9h h SER 13 N -0.94 0.00 -0.62 2.28 0.87 -1.77 -2.77 113.55 110.60 2i9h h SER 13 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 2i9h h SER 13 Cb 0.36 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 2i9h h SER 13 CO 0.00 0.00 0.18 0.00 -0.53 0.00 0.00 176.83 176.48 2i9h h ALA 14 N 2.10 1.10 0.00 6.23 0.00 -1.73 -3.30 119.26 123.66 2i9h h ALA 14 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.48 2i9h h ALA 14 Cb 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2i9h h ALA 14 CO 0.00 0.61 -1.14 -0.84 0.00 0.00 0.00 179.25 177.87 2i9h h ILE 15 N 0.96 1.00 -0.55 0.00 3.07 -1.66 -3.41 117.51 116.91 2i9h h ILE 15 Ca 0.21 -2.20 -0.57 0.00 1.55 0.00 0.00 64.86 63.85 2i9h h ILE 15 Cb 0.30 2.34 -0.05 0.00 -0.27 0.00 0.00 36.82 39.14 2i9h h ILE 15 CO -0.00 0.34 1.59 0.00 -1.05 0.00 0.00 178.15 179.03 2i9h n ALA 16 N -3.34 0.55 -3.17 0.16 0.00 -1.07 0.29 120.51 113.93 2i9h n ALA 16 Ca -0.30 -0.29 -0.09 0.00 0.00 0.00 0.00 53.44 52.77 2i9h n ALA 16 Cb 0.67 -2.49 0.01 0.00 0.00 0.00 0.00 19.45 17.64 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 8.38 -1.19 -2.19 0.00 6.02 -1.26 -4.66 117.38 122.48 2i9h n GLN 17 Ca 0.53 1.27 -0.01 0.00 -0.01 0.00 0.00 57.00 58.78 2i9h n GLN 17 Cb 0.16 -2.08 0.07 0.00 1.02 0.00 0.00 30.24 29.41 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 0.82 -0.87 0.00 1.08 2.03 -1.19 -4.91 116.55 113.52 2i9h n ASP 18 Ca -0.01 -1.70 0.00 0.00 0.52 0.00 0.00 54.79 53.59 2i9h n ASP 18 Cb 0.46 0.43 0.00 0.00 -0.72 0.00 0.00 41.12 41.29 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 -0.85 0.00 -3.45 -0.67 4.01 -1.26 -4.55 118.16 111.38 2i9h n LYS 19 Ca -0.10 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.29 2i9h n LYS 19 Cb 0.71 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 35.14 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 4.42 -0.19 -0.35 0.20 -1.26 -2.68 118.68 118.82 2i9h s LEU 20 Ca 0.00 -0.25 -0.07 0.00 0.69 0.00 0.00 54.13 54.50 2i9h s LEU 20 Cb 0.00 -2.27 -0.04 0.00 -0.43 0.00 0.00 46.19 43.46 2i9h s LEU 20 CO 0.00 -0.28 0.05 -0.69 -0.29 0.00 0.00 176.35 175.14 2i9h s VAL 21 N 1.91 4.60 -0.63 1.68 1.01 -0.52 -1.56 120.40 126.90 2i9h s VAL 21 Ca 0.10 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 2i9h s VAL 21 Cb -0.17 -3.08 0.16 0.00 0.00 0.00 0.00 36.38 33.29 2i9h s VAL 21 CO 0.11 0.44 0.54 -0.69 0.00 0.00 0.00 175.10 175.50 2i9h s VAL 22 N 0.63 4.86 -0.14 2.92 1.01 0.16 -1.76 120.40 128.08 2i9h s VAL 22 Ca 0.03 -2.13 -0.08 0.00 0.00 0.00 0.00 61.98 59.80 2i9h s VAL 22 Cb -0.13 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2i9h s VAL 22 CO 0.02 -0.90 0.14 -0.69 0.00 0.00 0.00 175.10 173.67 2i9h s VAL 23 N 0.80 5.47 -0.22 2.92 1.01 0.22 -2.57 120.40 128.03 2i9h s VAL 23 Ca 0.11 0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.20 2i9h s VAL 23 Cb -0.21 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 2i9h s VAL 23 CO -0.03 0.56 0.14 -0.62 0.00 0.00 0.00 175.10 175.15 2i9h s ASP 24 N -0.57 6.17 -0.78 3.32 2.15 -1.14 -0.05 116.67 125.77 2i9h s ASP 24 Ca 0.13 0.18 -0.02 0.00 0.43 0.00 0.00 52.55 53.27 2i9h s ASP 24 Cb -0.12 -2.10 0.33 0.00 -0.30 0.00 0.00 42.92 40.74 2i9h s ASP 24 CO 0.02 0.14 2.11 0.49 -0.17 0.00 0.00 175.17 177.76 2i9h n PHE 25 N 3.81 2.85 -1.62 -5.34 3.01 -0.09 0.19 117.46 120.28 2i9h n PHE 25 Ca -0.16 -2.36 -0.46 0.00 1.01 0.00 0.00 57.45 55.49 2i9h n PHE 25 Cb 0.52 -1.24 -0.02 0.00 -0.01 0.00 0.00 39.48 38.73 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 -0.43 1.63 -0.60 1.38 0.18 -1.24 -4.42 117.16 113.67 2i9h n TYR 26 Ca 0.54 0.61 -0.30 0.00 1.88 0.00 0.00 57.90 60.63 2i9h n TYR 26 Cb 0.32 -2.33 0.21 0.00 -0.38 0.00 0.00 39.34 37.15 2i9h n TYR 26 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2i9h n ALA 27 N 1.04 -2.28 -0.74 -3.48 0.00 -1.26 -3.49 120.51 110.30 2i9h n ALA 27 Ca 0.11 -0.92 0.07 0.00 0.00 0.00 0.00 53.44 52.70 2i9h n ALA 27 Cb 0.30 -2.00 0.38 0.00 0.00 0.00 0.00 19.45 18.13 2i9h n ALA 27 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2i9h n THR 28 N -4.55 2.48 0.00 0.00 5.66 -1.26 -4.42 114.28 112.19 2i9h n THR 28 Ca 0.06 -1.29 0.00 0.00 -3.05 0.00 0.00 64.05 59.78 2i9h n THR 28 Cb 0.54 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 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 0.66 0.00 -0.03 1.09 4.27 -1.26 -4.88 117.44 117.29 2i9h n TRP 29 Ca 0.26 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.86 2i9h n TRP 29 Cb 1.10 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 31.05 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 -1.02 2.22 0.46 0.00 0.00 -1.26 -4.82 105.19 100.77 2i9h n GLY 31 Ca 0.00 -0.72 0.27 0.00 0.00 0.00 0.00 46.02 45.57 2i9h n GLY 31 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2i9h h PRO 32 N 0.00 0.00 -0.02 1.61 0.11 -1.99 0.28 132.00 131.99 2i9h h PRO 32 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 2i9h h PRO 32 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2i9h h PRO 32 CO 0.00 0.00 0.09 0.00 -0.21 0.00 0.00 178.00 177.88 2i9h h LYS 34 N 0.00 0.00 0.00 0.00 1.63 -0.81 -2.87 116.57 114.52 2i9h h LYS 34 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2i9h h LYS 34 Cb 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2i9h h LYS 34 CO -0.00 0.00 0.00 -1.33 -3.45 0.00 0.00 179.45 174.67 2i9h n MET 35 N -2.97 0.76 0.12 1.90 2.81 0.34 -2.71 117.12 117.37 2i9h n MET 35 Ca 0.03 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.04 2i9h n MET 35 Cb 0.41 -1.31 0.15 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 0.00 -0.88 2.02 2.04 -1.66 -3.36 117.51 115.67 2i9h h ILE 36 Ca 0.00 -0.78 0.18 0.00 1.00 0.00 0.00 64.86 65.26 2i9h h ILE 36 Cb 0.00 1.50 -0.11 0.00 -0.74 0.00 0.00 36.82 37.47 2i9h h ILE 36 CO 0.00 0.00 0.44 0.00 0.00 0.00 0.00 178.15 178.59 2i9h h ALA 37 N 2.22 1.38 -0.28 1.87 0.00 -1.74 0.29 119.26 122.99 2i9h h ALA 37 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2i9h h ALA 37 Cb 0.89 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2i9h h ALA 37 CO 0.00 -0.18 -0.19 -1.00 0.00 0.00 0.00 179.25 177.88 2i9h h PRO 38 N 0.55 0.63 0.83 0.00 0.13 -1.85 -2.65 132.00 129.65 2i9h h PRO 38 Ca 0.51 -0.30 -0.04 0.00 -0.87 0.00 0.00 66.00 65.30 2i9h h PRO 38 Cb 0.84 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.97 2i9h h PRO 38 CO -0.43 0.89 -0.40 0.52 -0.23 0.00 0.00 178.00 178.35 2i9h h MET 39 N 0.37 -1.08 -1.47 0.86 2.86 -1.51 0.28 114.93 115.25 2i9h h MET 39 Ca 0.06 0.07 0.43 0.00 -2.06 0.00 0.00 59.70 58.20 2i9h h MET 39 Cb 0.73 0.25 -0.06 0.00 0.06 0.00 0.00 31.60 32.57 2i9h h MET 39 CO 0.05 -0.72 1.14 0.82 1.06 0.00 0.00 176.91 179.26 2i9h h ILE 40 N -1.17 0.17 0.19 -1.22 2.04 -0.54 1.27 117.51 118.24 2i9h h ILE 40 Ca -0.11 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.43 2i9h h ILE 40 Cb 0.86 0.19 0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2i9h h ILE 40 CO 0.19 0.00 -1.47 -0.08 0.00 0.00 0.00 178.15 176.79 2i9h h GLU 41 N 0.00 0.40 -0.03 2.37 4.22 -1.02 -3.22 114.58 117.30 2i9h h GLU 41 Ca 0.70 -0.68 -0.13 0.00 0.08 0.00 0.00 59.36 59.33 2i9h h GLU 41 Cb 2.96 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 32.45 2i9h h GLU 41 CO -0.01 1.31 -0.58 0.87 -2.18 0.00 0.00 179.01 178.42 2i9h h LYS 42 N 0.11 0.08 0.00 1.92 1.57 0.36 -3.03 116.57 117.58 2i9h h LYS 42 Ca -0.23 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.39 2i9h h LYS 42 Cb 2.08 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.38 2i9h h LYS 42 CO 0.22 0.64 -0.47 0.74 -0.57 0.00 0.00 179.45 180.02 2i9h h PHE 43 N 0.06 0.00 0.00 -1.35 -1.00 -0.99 -2.80 116.94 110.86 2i9h h PHE 43 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2i9h h PHE 43 Cb 1.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.60 2i9h h PHE 43 CO 0.01 0.47 0.00 -1.13 -1.61 0.00 0.00 178.31 176.04 2i9h n SER 44 N -3.56 0.00 0.05 2.17 3.41 -1.14 -1.89 113.62 112.65 2i9h n SER 44 Ca -0.00 0.47 -0.01 0.00 -0.26 0.00 0.00 58.87 59.07 2i9h n SER 44 Cb 0.57 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 2i9h n SER 44 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2i9h h GLU 45 N 0.00 0.00 0.02 4.33 5.08 -1.62 -2.73 114.58 119.67 2i9h h GLU 45 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 2i9h h GLU 45 Cb 0.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2i9h h GLU 45 CO 0.00 0.41 -1.77 1.04 -1.00 0.00 0.00 179.01 177.69 2i9h n GLN 46 N -3.01 0.66 -2.33 2.33 6.02 -0.79 -4.38 117.38 115.87 2i9h n GLN 46 Ca -0.07 0.29 -0.23 0.00 -0.01 0.00 0.00 57.00 56.98 2i9h n GLN 46 Cb 0.85 -1.77 0.01 0.00 1.02 0.00 0.00 30.24 30.35 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 -3.12 2.83 -0.56 1.08 4.01 -0.93 -4.89 117.16 115.58 2i9h n TYR 47 Ca -0.20 -2.66 0.43 0.00 -0.16 0.00 0.00 57.90 55.32 2i9h n TYR 47 Cb 1.05 -0.22 0.69 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 -0.55 -0.01 -0.06 -0.72 -0.02 -1.03 0.17 135.00 132.78 2i9h n PRO 48 Ca 0.37 1.03 0.02 0.00 -2.02 0.00 0.00 63.50 62.90 2i9h n PRO 48 Cb 0.81 -2.23 0.35 0.00 -0.02 0.00 0.00 33.50 32.41 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 0.66 -6.15 -0.52 4.20 -1.90 -3.41 115.11 107.99 2i9h h GLN 49 Ca 0.82 -0.06 -0.58 0.00 0.06 0.00 0.00 58.65 58.90 2i9h h GLN 49 Cb 3.07 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 30.66 2i9h h GLN 49 CO -0.17 0.48 -0.06 0.00 -0.67 0.00 0.00 178.83 178.42 2i9h s ALA 50 N -5.50 3.58 -0.22 3.87 0.00 0.46 -4.47 121.76 119.47 2i9h s ALA 50 Ca -0.09 -0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.66 2i9h s ALA 50 Cb 0.17 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.64 2i9h s ALA 50 CO 0.75 0.35 0.61 -0.51 0.00 0.00 0.00 175.76 176.96 2i9h s ASP 51 N -0.84 6.63 -0.83 0.00 1.11 -0.60 -4.90 116.67 117.24 2i9h s ASP 51 Ca 0.29 0.77 -0.14 0.00 0.18 0.00 0.00 52.55 53.64 2i9h s ASP 51 Cb -0.19 -2.34 0.21 0.00 1.07 0.00 0.00 42.92 41.68 2i9h s ASP 51 CO 0.18 -0.29 0.78 -0.36 1.18 0.00 0.00 175.17 176.65 2i9h s PHE 52 N 2.08 3.71 0.46 4.23 0.40 -1.26 0.41 117.98 128.01 2i9h s PHE 52 Ca 0.27 -1.94 0.07 0.00 -0.60 0.00 0.00 56.93 54.74 2i9h s PHE 52 Cb -0.16 -3.85 0.07 0.00 0.51 0.00 0.00 43.02 39.60 2i9h s PHE 52 CO 0.10 -1.02 0.61 0.66 0.70 0.00 0.00 175.22 176.26 2i9h n TYR 53 N 4.17 -2.26 -3.79 0.36 4.01 -1.06 -3.46 117.16 115.13 2i9h n TYR 53 Ca 0.14 -1.72 -0.15 0.00 -0.16 0.00 0.00 57.90 56.02 2i9h n TYR 53 Cb 0.47 -0.43 -0.16 0.00 -0.31 0.00 0.00 39.34 38.91 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 -4.08 -0.03 -0.20 -0.72 1.02 0.43 -2.88 119.74 113.28 2i9h s LYS 54 Ca 0.46 0.16 -0.14 0.00 0.02 0.00 0.00 55.97 56.47 2i9h s LYS 54 Cb -0.04 -0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.01 2i9h s LYS 54 CO 0.29 -0.14 0.33 -1.17 -0.92 0.00 0.00 175.35 173.74 2i9h s LEU 55 N 0.92 4.17 -0.39 3.17 1.98 0.52 0.12 118.68 129.16 2i9h s LEU 55 Ca -0.08 0.45 -0.25 0.00 -2.89 0.00 0.00 54.13 51.36 2i9h s LEU 55 Cb -0.11 -2.41 0.02 0.00 0.66 0.00 0.00 46.19 44.34 2i9h s LEU 55 CO -0.03 -0.01 0.89 -1.81 -1.89 0.00 0.00 176.35 173.50 2i9h s ASP 56 N 0.91 6.59 0.00 3.68 1.01 -1.09 -3.67 116.67 124.11 2i9h s ASP 56 Ca 0.17 0.38 0.30 0.00 0.71 0.00 0.00 52.55 54.10 2i9h s ASP 56 Cb -0.14 -2.44 1.37 0.00 1.01 0.00 0.00 42.92 42.72 2i9h s ASP 56 CO 0.06 -0.88 1.96 0.52 0.21 0.00 0.00 175.17 177.05 2i9h n VAL 57 N 6.05 0.00 0.08 -1.27 0.31 -1.23 -1.06 118.33 121.22 2i9h n VAL 57 Ca 0.06 -0.02 -0.23 0.00 -0.01 0.00 0.00 64.34 64.14 2i9h n VAL 57 Cb 0.48 -0.34 -0.15 0.00 -0.91 0.00 0.00 33.84 32.92 2i9h n VAL 57 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 2i9h h ASP 58 N 0.18 0.65 0.00 4.52 2.03 -1.88 -3.15 116.42 118.77 2i9h h ASP 58 Ca 0.00 -0.91 -0.11 0.00 -0.73 0.00 0.00 57.03 55.28 2i9h h ASP 58 Cb 0.33 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 38.60 2i9h h ASP 58 CO 0.00 1.76 -2.10 1.21 -1.03 0.00 0.00 179.24 179.09 2i9h n GLU 59 N -3.60 0.68 -2.40 4.15 4.07 -1.23 -4.50 120.64 117.81 2i9h n GLU 59 Ca -0.23 -0.14 -0.27 0.00 -0.06 0.00 0.00 57.16 56.46 2i9h n GLU 59 Cb 1.08 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.95 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 -2.39 4.81 0.28 4.31 4.32 -0.22 -4.81 117.00 123.29 2i9h n LEU 60 Ca -0.13 -5.14 0.19 0.00 -0.02 0.00 0.00 56.01 50.92 2i9h n LEU 60 Cb 0.74 -0.45 1.00 0.00 -1.62 0.00 0.00 43.42 43.08 2i9h n LEU 60 CO 0.44 2.21 1.06 1.23 -1.22 0.00 0.00 177.39 181.11 2i9h h GLY 61 N 2.52 0.00 2.00 -0.72 0.00 -1.73 -0.87 103.07 104.28 2i9h h GLY 61 Ca 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.51 2i9h h GLY 61 CO 0.85 0.00 -0.63 -0.55 0.00 0.00 0.00 176.54 176.21 2i9h h ASP 62 N 0.00 0.00 0.11 0.19 5.19 -1.89 -3.07 116.42 116.95 2i9h h ASP 62 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2i9h h ASP 62 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 2i9h h ASP 62 CO 0.00 0.63 -0.05 0.58 -3.12 0.00 0.00 179.24 177.28 2i9h h VAL 63 N 0.00 0.86 -0.44 -1.35 2.07 -1.54 0.13 116.25 115.98 2i9h h VAL 63 Ca -0.01 -1.33 0.13 0.00 0.82 0.00 0.00 66.70 66.31 2i9h h VAL 63 Cb 1.32 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 2i9h h VAL 63 CO 0.08 0.25 0.42 0.00 0.02 0.00 0.00 177.57 178.34 2i9h h ALA 64 N -0.39 2.20 0.00 1.67 0.00 -1.66 0.42 119.26 121.50 2i9h h ALA 64 Ca -0.01 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2i9h h ALA 64 Cb 0.52 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2i9h h ALA 64 CO 0.02 -0.65 -1.48 0.94 0.00 0.00 0.00 179.25 178.09 2i9h n GLN 65 N -3.87 0.62 -0.02 0.00 7.27 -1.16 0.13 117.38 120.35 2i9h n GLN 65 Ca 0.08 0.25 -0.13 0.00 0.07 0.00 0.00 57.00 57.26 2i9h n GLN 65 Cb 0.61 -1.81 -0.10 0.00 2.41 0.00 0.00 30.24 31.35 2i9h n GLN 65 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2i9h h LYS 66 N 0.00 0.06 0.00 3.69 1.63 0.25 -2.92 116.57 119.28 2i9h h LYS 66 Ca -0.19 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 2i9h h LYS 66 Cb 1.69 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.32 2i9h h LYS 66 CO 0.05 0.56 0.00 0.09 -3.45 0.00 0.00 179.45 176.71 2i9h n ASN 67 N -4.79 0.00 -2.21 4.20 3.02 -0.01 -4.88 115.26 110.60 2i9h n ASN 67 Ca -0.08 -0.73 -0.14 0.00 -0.03 0.00 0.00 54.58 53.59 2i9h n ASN 67 Cb 0.29 -0.06 0.04 0.00 -0.61 0.00 0.00 39.78 39.44 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 -1.06 -4.04 -3.27 3.52 1.02 -1.10 -4.97 120.64 110.73 2i9h n GLU 68 Ca 0.19 0.54 -0.31 0.00 -0.02 0.00 0.00 57.16 57.57 2i9h n GLU 68 Cb 0.12 -4.67 -0.06 0.00 -0.02 0.00 0.00 31.44 26.81 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 -4.05 3.16 1.19 2.62 0.31 0.35 -4.81 118.33 117.09 2i9h n VAL 69 Ca -0.03 -5.43 0.14 0.00 -0.01 0.00 0.00 64.34 59.01 2i9h n VAL 69 Cb 0.56 -2.03 0.62 0.00 -0.91 0.00 0.00 33.84 32.08 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 0.83 0.12 -3.26 4.52 3.41 -1.22 -4.65 113.62 113.38 2i9h n SER 70 Ca 0.30 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 2i9h n SER 70 Cb 0.39 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.35 0.00 -3.15 7.33 0.00 -1.26 -4.90 120.51 117.18 2i9h n ALA 71 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.60 2i9h n ALA 71 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.72 0.16 0.00 0.00 0.23 -1.26 -4.15 119.30 112.55 2i9h s MET 72 Ca 0.00 0.25 0.00 0.00 -1.03 0.00 0.00 55.69 54.91 2i9h s MET 72 Cb 0.00 0.13 0.00 0.00 -1.53 0.00 0.00 34.83 33.43 2i9h s MET 72 CO 0.00 -0.20 0.00 -0.35 -2.03 0.00 0.00 175.02 172.44 2i9h n PRO 73 N 5.39 0.98 -3.60 3.16 -0.04 -1.26 -4.88 135.00 134.75 2i9h n PRO 73 Ca -0.03 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.28 2i9h n PRO 73 Cb 0.55 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.94 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 0.31 0.00 -0.20 0.52 2.01 -1.26 -4.17 115.64 112.85 2i9h s THR 74 Ca 0.00 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 2i9h s THR 74 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 2i9h s THR 74 CO 0.00 0.00 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.15 2i9h s LEU 75 N -0.05 3.12 -0.15 4.42 1.43 -1.17 -0.91 118.68 125.38 2i9h s LEU 75 Ca -0.02 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2i9h s LEU 75 Cb -0.04 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 2i9h s LEU 75 CO 0.03 0.05 -0.14 -0.76 0.23 0.00 0.00 176.35 175.76 2i9h s LEU 76 N 1.09 2.60 -0.14 1.79 1.43 0.93 -2.88 118.68 123.49 2i9h s LEU 76 Ca 0.02 -0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 2i9h s LEU 76 Cb -0.14 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 2i9h s LEU 76 CO 0.01 0.11 -0.05 -0.76 0.23 0.00 0.00 176.35 175.89 2i9h s LEU 77 N 0.65 3.19 -0.08 1.79 1.02 -1.15 -0.61 118.68 123.50 2i9h s LEU 77 Ca -0.07 -0.13 0.01 0.00 0.02 0.00 0.00 54.13 53.96 2i9h s LEU 77 Cb -0.16 -1.75 0.02 0.00 0.02 0.00 0.00 46.19 44.32 2i9h s LEU 77 CO 0.02 0.20 -0.08 -0.36 0.02 0.00 0.00 176.35 176.16 2i9h s PHE 78 N 0.17 1.23 -0.18 0.29 0.08 -0.72 -0.92 117.98 117.93 2i9h s PHE 78 Ca -0.02 -0.49 -0.04 0.00 0.12 0.00 0.00 56.93 56.49 2i9h s PHE 78 Cb -0.14 -1.01 -0.02 0.00 -0.57 0.00 0.00 43.02 41.28 2i9h s PHE 78 CO 0.03 -0.34 -0.03 0.15 -0.10 0.00 0.00 175.22 174.92 2i9h s LYS 79 N 1.20 3.58 -1.23 0.44 1.02 -1.20 -1.44 119.74 122.12 2i9h s LYS 79 Ca -0.05 -0.55 -0.11 0.00 0.02 0.00 0.00 55.97 55.27 2i9h s LYS 79 Cb -0.14 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.20 2i9h s LYS 79 CO -0.02 0.09 0.68 0.09 -0.92 0.00 0.00 175.35 175.27 2i9h n ASN 80 N 3.98 -3.31 -1.02 2.83 4.13 -1.09 -0.62 115.26 120.16 2i9h n ASN 80 Ca -0.17 -0.97 -0.13 0.00 1.68 0.00 0.00 54.58 54.98 2i9h n ASN 80 Cb 0.52 -3.46 -0.06 0.00 -1.54 0.00 0.00 39.78 35.25 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 1.25 0.00 7.41 0.00 0.84 -3.99 105.19 108.97 2i9h n GLY 81 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.16 3.92 -3.74 1.61 5.02 0.21 -4.69 118.16 119.34 2i9h n LYS 82 Ca -0.13 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.93 2i9h n LYS 82 Cb 0.61 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.58 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 2.09 2.41 0.33 1.97 2.12 -1.26 -3.22 118.70 123.14 2i9h s GLU 83 Ca 0.00 -1.69 0.00 0.00 0.36 0.00 0.00 54.97 53.64 2i9h s GLU 83 Cb 0.00 -2.24 0.00 0.00 0.26 0.00 0.00 34.13 32.15 2i9h s GLU 83 CO 0.00 -0.25 0.00 0.28 -0.54 0.00 0.00 175.26 174.75 2i9h n VAL 84 N -1.52 0.00 -3.55 3.70 0.31 -0.10 -3.53 118.33 113.65 2i9h n VAL 84 Ca 0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.27 2i9h n VAL 84 Cb 0.63 -0.40 -0.03 0.00 -0.91 0.00 0.00 33.84 33.13 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 -2.00 -1.92 -0.23 3.52 0.00 -1.22 -5.02 121.76 114.88 2i9h s ALA 85 Ca 0.00 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.30 2i9h s ALA 85 Cb 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.11 2i9h s ALA 85 CO 0.00 -0.56 -0.12 -1.59 0.00 0.00 0.00 175.76 173.49 2i9h s LYS 86 N -2.41 2.66 -0.45 0.00 -2.85 -1.26 -2.94 119.74 112.48 2i9h s LYS 86 Ca 0.05 -1.07 0.04 0.00 -1.00 0.00 0.00 55.97 53.99 2i9h s LYS 86 Cb -0.01 -2.83 0.17 0.00 -2.06 0.00 0.00 37.83 33.10 2i9h s LYS 86 CO -0.05 -0.41 0.36 0.08 0.10 0.00 0.00 175.35 175.42 2i9h s VAL 87 N 1.23 0.71 -0.91 1.79 1.01 -1.14 -5.06 120.40 118.03 2i9h s VAL 87 Ca -0.02 -2.85 -0.26 0.00 0.00 0.00 0.00 61.98 58.85 2i9h s VAL 87 Cb -0.17 -1.49 -0.18 0.00 0.00 0.00 0.00 36.38 34.53 2i9h s VAL 87 CO -0.07 -1.19 2.28 0.55 0.00 0.00 0.00 175.10 176.67 2i9h n VAL 88 N 2.77 0.00 0.00 2.92 3.14 -1.26 -3.03 118.33 122.87 2i9h n VAL 88 Ca 0.27 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2i9h n VAL 88 Cb 0.45 -1.96 0.00 0.00 -1.06 0.00 0.00 33.84 31.27 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 6.50 3.76 2.30 7.55 0.00 -1.26 -4.86 105.19 119.17 2i9h n GLY 89 Ca 0.44 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 6.85 -1.63 4.61 0.00 -1.26 -4.57 120.51 124.52 2i9h n ALA 90 Ca 0.00 -3.09 -0.48 0.00 0.00 0.00 0.00 53.44 49.87 2i9h n ALA 90 Cb 0.00 -2.70 -0.04 0.00 0.00 0.00 0.00 19.45 16.70 2i9h n ALA 90 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2i9h n ASN 91 N 2.32 2.21 -0.15 0.00 5.15 -1.26 -4.70 115.26 118.83 2i9h n ASN 91 Ca 0.59 1.12 0.28 0.00 -0.60 0.00 0.00 54.58 55.97 2i9h n ASN 91 Cb 0.49 -1.31 0.59 0.00 -0.53 0.00 0.00 39.78 39.02 2i9h n ASN 91 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2i9h h PRO 92 N 4.62 0.00 -1.37 1.20 0.11 -2.01 0.68 132.00 135.23 2i9h h PRO 92 Ca -0.45 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.11 2i9h h PRO 92 Cb 1.30 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.99 2i9h h PRO 92 CO 0.79 0.00 -0.81 0.00 -0.21 0.00 0.00 178.00 177.77 2i9h n ALA 93 N -2.35 4.78 0.17 -0.75 0.00 -1.26 -4.75 120.51 116.35 2i9h n ALA 93 Ca 0.19 -4.09 0.00 0.00 0.00 0.00 0.00 53.44 49.54 2i9h n ALA 93 Cb 1.24 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.43 1.14 0.00 0.00 0.00 0.22 -4.86 120.51 116.58 2i9h n ALA 94 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2i9h n ALA 94 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.16 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 -3.30 0.99 -0.08 0.00 0.13 -1.12 -0.87 119.36 115.12 2i9h n ILE 95 Ca 0.00 0.27 -0.22 0.00 -1.10 0.00 0.00 62.75 61.70 2i9h n ILE 95 Cb 0.00 -1.27 -0.12 0.00 -0.84 0.00 0.00 39.64 37.41 2i9h n ILE 95 CO 0.00 0.00 0.00 2.29 2.80 0.00 0.00 176.55 181.64 2i9h n LYS 96 N -1.23 0.61 0.09 9.51 2.85 -1.26 -3.81 118.16 124.93 2i9h n LYS 96 Ca 0.00 0.47 -0.07 0.00 -1.05 0.00 0.00 58.31 57.66 2i9h n LYS 96 Cb 0.02 -1.71 0.04 0.00 -0.65 0.00 0.00 35.03 32.73 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 -0.74 0.19 -0.09 -1.58 4.20 -1.60 -2.88 115.11 112.61 2i9h h GLN 97 Ca -0.40 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.12 2i9h h GLN 97 Cb 1.51 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.33 2i9h h GLN 97 CO -0.16 0.87 -0.01 0.00 -0.67 0.00 0.00 178.83 178.86 2i9h h ALA 98 N 1.07 1.82 -0.01 3.87 0.00 -1.19 -0.52 119.26 124.30 2i9h h ALA 98 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2i9h h ALA 98 Cb 1.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2i9h h ALA 98 CO 0.12 0.14 -0.33 -0.89 0.00 0.00 0.00 179.25 178.29 2i9h n ILE 99 N -4.45 0.00 0.00 0.00 5.41 -1.16 -3.85 119.36 115.32 2i9h n ILE 99 Ca -0.02 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.64 2i9h n ILE 99 Cb 0.14 0.36 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 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 -0.89 0.00 -0.23 -1.39 0.00 -0.24 -2.94 120.51 114.83 2i9h n ALA 100 Ca 0.10 -0.03 0.31 0.00 0.00 0.00 0.00 53.44 53.82 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 2.92 0.00 0.00 0.00 -1.71 -3.03 119.26 115.44 2i9h h ALA 101 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2i9h h ALA 101 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2i9h h ALA 101 CO 0.00 -1.28 -0.10 -0.91 0.00 0.00 0.00 179.25 176.96 2i9h h ASN 102 N 0.00 0.00 0.00 0.00 2.35 -1.77 -3.52 115.58 112.64 2i9h h ASN 102 Ca 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 2i9h h ASN 102 Cb 1.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.36 2i9h h ASN 102 CO -0.01 0.18 0.00 0.00 -1.65 0.00 0.00 177.43 175.96