#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 -0.03 0.13 1.12 0.11 -1.26 -4.29 120.40 116.18 2i9h s VAL 2 Ca 0.00 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.93 2i9h s VAL 2 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2i9h s VAL 2 CO 0.00 0.00 0.32 -0.89 -3.33 0.00 0.00 175.10 171.20 2i9h s THR 3 N 1.33 0.09 0.20 5.04 2.01 -1.20 -5.04 115.64 118.06 2i9h s THR 3 Ca -0.06 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 60.96 2i9h s THR 3 Cb -0.02 -1.45 0.02 0.00 0.01 0.00 0.00 72.50 71.06 2i9h s THR 3 CO -0.12 -0.39 0.20 0.00 -0.69 0.00 0.00 174.62 173.63 2i9h n GLN 4 N -0.19 1.05 -3.68 4.92 3.00 -1.26 0.17 117.38 121.40 2i9h n GLN 4 Ca -0.13 -1.15 -0.28 0.00 -0.01 0.00 0.00 57.00 55.44 2i9h n GLN 4 Cb 0.63 0.03 -0.16 0.00 0.00 0.00 0.00 30.24 30.74 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 -0.63 0.93 -0.08 1.08 0.08 0.23 -4.59 117.98 115.00 2i9h s PHE 5 Ca 0.15 -0.99 0.14 0.00 0.12 0.00 0.00 56.93 56.36 2i9h s PHE 5 Cb -0.01 -1.11 -0.17 0.00 -0.57 0.00 0.00 43.02 41.16 2i9h s PHE 5 CO 0.10 -0.70 0.82 0.87 -0.10 0.00 0.00 175.22 176.21 2i9h h LYS 6 N 8.27 0.00 -4.72 0.44 1.79 -1.93 -2.60 116.57 117.81 2i9h h LYS 6 Ca -0.16 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.75 2i9h h LYS 6 Cb 1.08 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 31.39 2i9h h LYS 6 CO 0.38 0.43 -0.83 0.95 -1.08 0.00 0.00 179.45 179.30 2i9h s THR 7 N -2.78 1.38 0.61 -0.16 -4.23 -1.26 -4.54 115.64 104.67 2i9h s THR 7 Ca -0.03 -0.61 0.30 0.00 -1.18 0.00 0.00 61.69 60.17 2i9h s THR 7 Cb 0.08 -1.25 0.36 0.00 1.34 0.00 0.00 72.50 73.03 2i9h s THR 7 CO 0.81 0.41 2.01 0.00 -0.54 0.00 0.00 174.62 177.32 2i9h h ALA 8 N 7.07 1.76 0.00 3.99 0.00 -1.94 0.24 119.26 130.38 2i9h h ALA 8 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2i9h h ALA 8 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2i9h h ALA 8 CO 0.47 -0.41 0.00 1.03 0.00 0.00 0.00 179.25 180.34 2i9h h SER 9 N 0.00 0.00 0.00 0.00 0.87 -2.00 0.77 113.55 113.19 2i9h h SER 9 Ca 0.10 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.58 2i9h h SER 9 Cb 0.71 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2i9h h SER 9 CO -0.00 0.00 -0.76 -0.62 -0.53 0.00 0.00 176.83 174.91 2i9h n GLU 10 N -2.54 0.49 0.06 2.24 1.02 0.85 -4.17 120.64 118.59 2i9h n GLU 10 Ca -0.01 0.54 0.04 0.00 -0.02 0.00 0.00 57.16 57.72 2i9h n GLU 10 Cb 0.09 -1.71 0.46 0.00 -0.02 0.00 0.00 31.44 30.26 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 -1.00 0.39 -0.04 -0.32 3.57 -1.57 -2.82 116.94 115.16 2i9h h PHE 11 Ca -0.12 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.42 2i9h h PHE 11 Cb 0.77 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 2i9h h PHE 11 CO -0.12 0.27 -0.39 0.22 -2.23 0.00 0.00 178.31 176.06 2i9h h ASP 12 N 0.42 -1.20 0.43 0.41 3.58 -1.03 -0.60 116.42 118.42 2i9h h ASP 12 Ca 0.11 0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.68 2i9h h ASP 12 Cb -0.00 0.48 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 2i9h h ASP 12 CO -0.02 -0.43 -0.15 0.28 -2.88 0.00 0.00 179.24 176.03 2i9h h SER 13 N -0.52 0.00 0.00 2.28 0.02 -1.68 -3.02 113.55 110.63 2i9h h SER 13 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2i9h h SER 13 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2i9h h SER 13 CO -0.33 0.15 0.00 0.00 -1.14 0.00 0.00 176.83 175.52 2i9h n ALA 14 N -2.30 -0.33 -0.14 3.77 0.00 -0.26 -3.38 120.51 117.87 2i9h n ALA 14 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 2i9h n ALA 14 Cb 0.28 0.08 0.05 0.00 0.00 0.00 0.00 19.45 19.85 2i9h n ALA 14 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2i9h h ILE 15 N 0.00 0.66 -0.25 0.00 3.07 -1.56 -3.38 117.51 116.06 2i9h h ILE 15 Ca 0.00 -0.04 -0.41 0.00 1.55 0.00 0.00 64.86 65.95 2i9h h ILE 15 Cb 0.00 0.52 -0.08 0.00 -0.27 0.00 0.00 36.82 37.00 2i9h h ILE 15 CO 0.00 0.02 1.68 0.00 -1.05 0.00 0.00 178.15 178.80 2i9h n ALA 16 N -2.60 0.61 -3.07 0.16 0.00 -1.14 0.28 120.51 114.76 2i9h n ALA 16 Ca 0.04 -0.62 -0.00 0.00 0.00 0.00 0.00 53.44 52.86 2i9h n ALA 16 Cb 0.24 -2.52 -0.00 0.00 0.00 0.00 0.00 19.45 17.16 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 7.71 -1.14 -1.85 0.00 1.13 -1.26 -4.64 117.38 117.33 2i9h n GLN 17 Ca 0.61 1.30 -0.01 0.00 -1.94 0.00 0.00 57.00 56.97 2i9h n GLN 17 Cb 0.17 -1.99 0.03 0.00 0.11 0.00 0.00 30.24 28.56 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 1.29 -0.43 0.00 1.08 2.03 -1.22 -4.86 116.55 114.44 2i9h n ASP 18 Ca -0.01 -1.35 0.00 0.00 0.52 0.00 0.00 54.79 53.95 2i9h n ASP 18 Cb 0.36 0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 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 -0.43 0.00 -3.43 -0.67 5.02 -1.26 -4.61 118.16 112.78 2i9h n LYS 19 Ca -0.06 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.82 2i9h n LYS 19 Cb 0.61 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.52 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 4.62 -0.23 -0.35 2.96 -1.26 -3.12 118.68 121.30 2i9h s LEU 20 Ca 0.00 -0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 53.36 2i9h s LEU 20 Cb 0.00 -2.27 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 2i9h s LEU 20 CO 0.00 -0.37 0.17 -0.69 -1.32 0.00 0.00 176.35 174.14 2i9h s VAL 21 N 1.92 5.36 -0.65 1.68 1.01 -0.90 -1.75 120.40 127.06 2i9h s VAL 21 Ca 0.10 0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.13 2i9h s VAL 21 Cb -0.17 -3.51 0.16 0.00 0.00 0.00 0.00 36.38 32.86 2i9h s VAL 21 CO 0.11 0.35 0.61 -0.69 0.00 0.00 0.00 175.10 175.48 2i9h s VAL 22 N 1.01 5.34 -0.16 2.92 1.01 0.24 -3.07 120.40 127.69 2i9h s VAL 22 Ca 0.08 -1.84 -0.06 0.00 0.00 0.00 0.00 61.98 60.17 2i9h s VAL 22 Cb -0.13 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 2i9h s VAL 22 CO 0.04 -0.94 0.04 -0.69 0.00 0.00 0.00 175.10 173.55 2i9h s VAL 23 N 1.13 4.59 -0.18 2.92 1.01 -0.86 -2.39 120.40 126.62 2i9h s VAL 23 Ca 0.09 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 2i9h s VAL 23 Cb -0.22 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 2i9h s VAL 23 CO -0.01 0.50 0.13 -0.62 0.00 0.00 0.00 175.10 175.09 2i9h s ASP 24 N 0.12 6.25 -0.92 3.32 -1.08 -1.20 -1.16 116.67 121.99 2i9h s ASP 24 Ca 0.04 0.28 -0.02 0.00 -0.52 0.00 0.00 52.55 52.33 2i9h s ASP 24 Cb -0.13 -2.09 0.31 0.00 -1.46 0.00 0.00 42.92 39.56 2i9h s ASP 24 CO 0.01 0.23 2.00 0.49 0.52 0.00 0.00 175.17 178.42 2i9h n PHE 25 N 3.18 2.81 -1.74 -5.34 3.01 -0.72 0.13 117.46 118.78 2i9h n PHE 25 Ca -0.17 -2.42 -0.41 0.00 1.01 0.00 0.00 57.45 55.46 2i9h n PHE 25 Cb 0.53 -1.23 0.00 0.00 -0.01 0.00 0.00 39.48 38.77 2i9h n PHE 25 CO 0.00 0.00 0.00 2.48 1.01 0.00 0.00 176.76 180.25 2i9h n TYR 26 N -0.18 2.64 -2.12 1.38 0.18 -1.25 -4.36 117.16 113.45 2i9h n TYR 26 Ca 0.51 0.48 -0.41 0.00 1.88 0.00 0.00 57.90 60.36 2i9h n TYR 26 Cb 0.26 -2.47 -0.03 0.00 -0.38 0.00 0.00 39.34 36.73 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 -1.14 3.55 0.16 -3.48 0.00 -1.26 -3.67 121.76 115.93 2i9h s ALA 27 Ca 0.56 1.23 -0.17 0.00 0.00 0.00 0.00 51.96 53.58 2i9h s ALA 27 Cb -0.50 -3.50 0.09 0.00 0.00 0.00 0.00 23.12 19.21 2i9h s ALA 27 CO 0.61 -0.63 1.69 0.00 0.00 0.00 0.00 175.76 177.43 2i9h h THR 28 N 3.44 0.68 -0.36 0.00 1.03 -1.92 -2.50 112.91 113.28 2i9h h THR 28 Ca -0.46 -0.02 -0.10 0.00 -0.01 0.00 0.00 66.41 65.82 2i9h h THR 28 Cb 1.22 0.62 -0.01 0.00 -1.07 0.00 0.00 68.15 68.91 2i9h h THR 28 CO 0.74 0.01 -0.16 4.11 -0.01 0.00 0.00 175.52 180.21 2i9h h TRP 29 N 0.06 0.86 -1.67 0.00 5.08 -1.92 -3.45 115.95 114.90 2i9h h TRP 29 Ca 0.18 -0.21 -0.67 0.00 1.08 0.00 0.00 58.89 59.27 2i9h h TRP 29 Cb 0.27 -0.20 0.08 0.00 -3.00 0.00 0.00 29.16 26.31 2i9h h TRP 29 CO -0.29 0.93 0.09 0.00 -1.28 0.00 0.00 178.44 177.89 2i9h n GLY 31 N 1.87 -0.50 0.45 0.00 0.00 -1.26 -4.50 105.19 101.25 2i9h n GLY 31 Ca 0.16 -0.26 0.25 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.99 0.00 -0.17 1.61 0.11 -1.98 0.35 132.00 130.93 2i9h h PRO 32 Ca -0.26 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 2i9h h PRO 32 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2i9h h PRO 32 CO -0.16 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 177.53 2i9h h LYS 34 N 0.25 0.00 0.00 0.00 1.57 -0.53 -0.61 116.57 117.25 2i9h h LYS 34 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2i9h h LYS 34 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2i9h h LYS 34 CO 0.02 0.05 0.00 -1.33 -0.57 0.00 0.00 179.45 177.62 2i9h n MET 35 N -3.80 0.18 0.10 3.15 2.81 -0.82 -1.98 117.12 116.76 2i9h n MET 35 Ca -0.03 0.16 0.05 0.00 -1.81 0.00 0.00 57.70 56.07 2i9h n MET 35 Cb 0.14 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.14 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 0.42 -0.77 2.02 2.04 -1.26 -3.37 117.51 116.59 2i9h h ILE 36 Ca 0.00 -1.71 0.16 0.00 1.00 0.00 0.00 64.86 64.31 2i9h h ILE 36 Cb 0.13 2.00 -0.10 0.00 -0.74 0.00 0.00 36.82 38.11 2i9h h ILE 36 CO 0.00 0.24 0.28 0.00 0.00 0.00 0.00 178.15 178.67 2i9h h ALA 37 N 1.64 1.09 -0.13 1.87 0.00 -1.55 0.59 119.26 122.76 2i9h h ALA 37 Ca -0.07 0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 2i9h h ALA 37 Cb 1.34 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2i9h h ALA 37 CO 0.04 -0.27 -0.68 -1.00 0.00 0.00 0.00 179.25 177.34 2i9h h PRO 38 N 0.39 0.55 0.11 0.00 0.13 -1.78 -3.06 132.00 128.34 2i9h h PRO 38 Ca 0.44 -0.41 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 2i9h h PRO 38 Cb 0.72 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2i9h h PRO 38 CO -0.45 1.04 -0.05 0.52 -0.23 0.00 0.00 178.00 178.82 2i9h h MET 39 N 0.39 -0.15 -0.62 0.86 2.86 -1.39 -2.12 114.93 114.76 2i9h h MET 39 Ca -0.02 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.81 2i9h h MET 39 Cb 1.26 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.93 2i9h h MET 39 CO 0.13 0.11 0.70 0.82 1.06 0.00 0.00 176.91 179.73 2i9h h ILE 40 N -0.40 0.24 0.00 -1.22 2.04 0.11 0.94 117.51 119.22 2i9h h ILE 40 Ca -0.02 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 2i9h h ILE 40 Cb 0.33 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2i9h h ILE 40 CO 0.03 0.00 -0.79 -0.08 0.00 0.00 0.00 178.15 177.30 2i9h h GLU 41 N 0.00 0.00 0.00 2.37 4.81 -1.29 -3.31 114.58 117.16 2i9h h GLU 41 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2i9h h GLU 41 Cb 1.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.08 2i9h h GLU 41 CO -0.00 0.25 -0.18 0.87 -0.73 0.00 0.00 179.01 179.22 2i9h h LYS 42 N 0.00 0.00 0.00 1.92 1.57 0.13 -3.25 116.57 116.94 2i9h h LYS 42 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2i9h h LYS 42 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2i9h h LYS 42 CO 0.04 0.00 -0.97 1.19 -0.57 0.00 0.00 179.45 179.14 2i9h n PHE 43 N -2.36 0.90 0.54 -1.35 3.01 -1.02 -3.83 117.46 113.35 2i9h n PHE 43 Ca 0.05 0.26 0.07 0.00 1.01 0.00 0.00 57.45 58.84 2i9h n PHE 43 Cb 0.45 -0.91 0.32 0.00 -0.01 0.00 0.00 39.48 39.33 2i9h n PHE 43 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2i9h n SER 44 N -2.59 0.00 0.03 4.37 2.88 -1.23 -2.27 113.62 114.81 2i9h n SER 44 Ca 0.00 0.39 -0.03 0.00 -1.33 0.00 0.00 58.87 57.90 2i9h n SER 44 Cb 0.53 -0.44 -0.09 0.00 -0.75 0.00 0.00 64.21 63.46 2i9h n SER 44 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2i9h h GLU 45 N 0.00 0.00 0.00 -1.46 5.08 -1.76 -2.98 114.58 113.47 2i9h h GLU 45 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 2i9h h GLU 45 Cb 0.21 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 2i9h h GLU 45 CO 0.00 0.43 -1.75 1.04 -1.00 0.00 0.00 179.01 177.73 2i9h n GLN 46 N -3.01 0.64 -2.41 2.33 6.02 -0.96 -4.38 117.38 115.61 2i9h n GLN 46 Ca -0.09 0.28 -0.23 0.00 -0.01 0.00 0.00 57.00 56.95 2i9h n GLN 46 Cb 0.89 -1.78 0.01 0.00 1.02 0.00 0.00 30.24 30.38 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 -3.05 2.93 -0.39 1.08 4.01 -0.99 -4.89 117.16 115.86 2i9h n TYR 47 Ca -0.18 -2.84 0.35 0.00 -0.16 0.00 0.00 57.90 55.07 2i9h n TYR 47 Cb 1.06 -0.18 0.54 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 -0.49 0.01 -0.07 -0.72 -0.02 -1.12 0.17 135.00 132.76 2i9h n PRO 48 Ca 0.36 0.95 -0.04 0.00 -2.02 0.00 0.00 63.50 62.74 2i9h n PRO 48 Cb 0.75 -2.28 0.18 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 0.69 -6.16 -0.52 7.50 -1.90 -3.42 115.11 111.29 2i9h h GLN 49 Ca 0.62 -0.20 -0.57 0.00 0.50 0.00 0.00 58.65 58.99 2i9h h GLN 49 Cb 2.98 -0.07 -0.05 0.00 0.05 0.00 0.00 27.48 30.39 2i9h h GLN 49 CO -0.01 0.75 -0.04 0.00 -1.50 0.00 0.00 178.83 178.03 2i9h s ALA 50 N -4.86 3.56 -0.22 3.87 0.00 0.45 -4.37 121.76 120.20 2i9h s ALA 50 Ca -0.09 0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 2i9h s ALA 50 Cb 0.14 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 2i9h s ALA 50 CO 0.80 0.33 0.62 -0.51 0.00 0.00 0.00 175.76 177.00 2i9h s ASP 51 N -0.80 6.64 -1.03 0.00 1.11 -0.72 -4.89 116.67 116.98 2i9h s ASP 51 Ca 0.29 0.78 -0.12 0.00 0.18 0.00 0.00 52.55 53.67 2i9h s ASP 51 Cb -0.19 -2.34 0.23 0.00 1.07 0.00 0.00 42.92 41.69 2i9h s ASP 51 CO 0.18 -0.30 1.07 -0.36 1.18 0.00 0.00 175.17 176.93 2i9h s PHE 52 N 2.11 3.90 0.28 4.23 0.40 -1.26 0.81 117.98 128.45 2i9h s PHE 52 Ca 0.27 -2.28 0.04 0.00 -0.60 0.00 0.00 56.93 54.36 2i9h s PHE 52 Cb -0.16 -3.95 0.04 0.00 0.51 0.00 0.00 43.02 39.46 2i9h s PHE 52 CO 0.10 -1.08 0.35 0.66 0.70 0.00 0.00 175.22 175.94 2i9h n TYR 53 N 3.89 -2.28 -3.92 0.36 4.01 -1.00 -3.28 117.16 114.94 2i9h n TYR 53 Ca 0.23 -1.06 -0.10 0.00 -0.16 0.00 0.00 57.90 56.80 2i9h n TYR 53 Cb 0.43 -0.26 -0.11 0.00 -0.31 0.00 0.00 39.34 39.09 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 -3.25 0.34 -0.17 -0.72 1.02 0.45 -3.26 119.74 114.16 2i9h s LYS 54 Ca 0.26 -0.44 -0.06 0.00 0.02 0.00 0.00 55.97 55.76 2i9h s LYS 54 Cb -0.02 0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.39 2i9h s LYS 54 CO 0.17 -0.07 0.02 -1.17 -0.92 0.00 0.00 175.35 173.38 2i9h s LEU 55 N -1.23 3.55 -0.31 3.17 1.98 0.35 0.74 118.68 126.95 2i9h s LEU 55 Ca -0.13 -0.01 -0.26 0.00 -2.89 0.00 0.00 54.13 50.84 2i9h s LEU 55 Cb -0.08 -1.88 0.01 0.00 0.66 0.00 0.00 46.19 44.90 2i9h s LEU 55 CO 0.00 0.18 0.91 -1.81 -1.89 0.00 0.00 176.35 173.73 2i9h s ASP 56 N 0.32 6.78 0.00 3.68 1.01 -0.98 -3.80 116.67 123.69 2i9h s ASP 56 Ca -0.00 0.84 0.18 0.00 0.71 0.00 0.00 52.55 54.27 2i9h s ASP 56 Cb -0.13 -2.46 0.71 0.00 1.01 0.00 0.00 42.92 42.04 2i9h s ASP 56 CO 0.01 -0.71 1.50 0.52 0.21 0.00 0.00 175.17 176.70 2i9h n VAL 57 N 5.64 0.20 -0.13 -1.27 0.31 -1.24 -1.43 118.33 120.42 2i9h n VAL 57 Ca 0.07 -0.28 -0.19 0.00 -0.01 0.00 0.00 64.34 63.93 2i9h n VAL 57 Cb 0.48 0.20 -0.12 0.00 -0.91 0.00 0.00 33.84 33.49 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 0.09 1.98 -0.08 4.52 5.75 -1.26 -3.94 116.55 123.61 2i9h n ASP 58 Ca 0.14 -0.09 -0.07 0.00 -0.01 0.00 0.00 54.79 54.76 2i9h n ASP 58 Cb 0.25 -0.46 -0.16 0.00 -1.03 0.00 0.00 41.12 39.73 2i9h n ASP 58 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2i9h n GLU 59 N -3.34 0.68 -1.91 0.11 4.07 -1.25 -4.46 120.64 114.55 2i9h n GLU 59 Ca -0.46 -0.03 -0.28 0.00 -0.06 0.00 0.00 57.16 56.33 2i9h n GLU 59 Cb 0.98 -1.53 0.03 0.00 -0.06 0.00 0.00 31.44 30.87 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 -2.69 5.71 0.30 4.31 4.32 -0.51 -4.77 117.00 123.67 2i9h n LEU 60 Ca -0.28 -4.70 0.19 0.00 -0.02 0.00 0.00 56.01 51.19 2i9h n LEU 60 Cb 1.07 -0.55 0.97 0.00 -1.62 0.00 0.00 43.42 43.29 2i9h n LEU 60 CO 0.43 1.96 1.16 1.23 -1.22 0.00 0.00 177.39 180.95 2i9h h GLY 61 N 2.23 0.00 2.00 -0.72 0.00 -1.69 0.76 103.07 105.65 2i9h h GLY 61 Ca 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.68 2i9h h GLY 61 CO 1.01 0.00 -0.36 -0.55 0.00 0.00 0.00 176.54 176.64 2i9h h ASP 62 N 0.00 0.00 0.01 0.19 3.32 -1.91 -2.93 116.42 115.09 2i9h h ASP 62 Ca 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2i9h h ASP 62 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2i9h h ASP 62 CO -0.00 0.36 -0.06 0.58 -1.72 0.00 0.00 179.24 178.41 2i9h h VAL 63 N 0.00 1.69 -0.30 -1.35 2.07 -1.21 -0.12 116.25 117.04 2i9h h VAL 63 Ca -0.00 -2.11 0.09 0.00 0.82 0.00 0.00 66.70 65.49 2i9h h VAL 63 Cb 0.90 3.12 -0.01 0.00 -1.52 0.00 0.00 31.29 33.77 2i9h h VAL 63 CO 0.05 0.55 0.24 0.00 0.02 0.00 0.00 177.57 178.43 2i9h h ALA 64 N 0.12 2.15 0.00 1.67 0.00 -1.59 0.17 119.26 121.78 2i9h h ALA 64 Ca -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2i9h h ALA 64 Cb 0.94 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2i9h h ALA 64 CO 0.01 -0.39 -1.28 1.04 0.00 0.00 0.00 179.25 178.63 2i9h n GLN 65 N -4.20 0.62 -0.03 0.00 1.13 -1.11 0.13 117.38 113.92 2i9h n GLN 65 Ca 0.04 0.19 -0.13 0.00 -1.94 0.00 0.00 57.00 55.16 2i9h n GLN 65 Cb 0.40 -1.82 -0.11 0.00 0.11 0.00 0.00 30.24 28.83 2i9h n GLN 65 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 2i9h h LYS 66 N 0.00 0.04 0.00 -1.09 1.63 0.12 -3.07 116.57 114.20 2i9h h LYS 66 Ca -0.11 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 2i9h h LYS 66 Cb 1.40 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.03 2i9h h LYS 66 CO 0.03 0.68 0.00 0.09 -3.45 0.00 0.00 179.45 176.80 2i9h n ASN 67 N -4.74 0.00 -2.10 4.20 3.02 0.06 -4.88 115.26 110.82 2i9h n ASN 67 Ca -0.09 -0.78 -0.14 0.00 -0.03 0.00 0.00 54.58 53.54 2i9h n ASN 67 Cb 0.34 -0.04 0.03 0.00 -0.61 0.00 0.00 39.78 39.51 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 -1.04 -3.76 -3.47 3.52 1.02 -1.16 -4.98 120.64 110.77 2i9h n GLU 68 Ca 0.20 0.52 -0.30 0.00 -0.02 0.00 0.00 57.16 57.56 2i9h n GLU 68 Cb 0.11 -4.59 -0.07 0.00 -0.02 0.00 0.00 31.44 26.87 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 -4.00 2.73 0.58 2.62 0.31 0.35 -4.82 118.33 116.09 2i9h n VAL 69 Ca -0.04 -5.25 0.12 0.00 -0.01 0.00 0.00 64.34 59.17 2i9h n VAL 69 Cb 0.56 -2.15 0.28 0.00 -0.91 0.00 0.00 33.84 31.62 2i9h n VAL 69 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2i9h h SER 70 N 4.77 0.00 -1.22 4.52 4.64 -1.93 -3.42 113.55 120.90 2i9h h SER 70 Ca 0.19 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 2i9h h SER 70 Cb 0.69 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.82 2i9h h SER 70 CO 0.89 0.05 -0.04 0.00 -0.87 0.00 0.00 176.83 176.86 2i9h n ALA 71 N -1.82 -1.08 -3.22 5.18 0.00 -1.26 -4.90 120.51 113.41 2i9h n ALA 71 Ca 0.04 -0.31 0.04 0.00 0.00 0.00 0.00 53.44 53.21 2i9h n ALA 71 Cb 0.44 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.85 0.28 0.00 0.00 0.23 -1.26 -4.29 119.30 111.41 2i9h s MET 72 Ca 0.14 0.56 0.00 0.00 -1.03 0.00 0.00 55.69 55.36 2i9h s MET 72 Cb -0.02 0.32 0.00 0.00 -1.53 0.00 0.00 34.83 33.60 2i9h s MET 72 CO 0.11 -0.25 0.00 -0.35 -2.03 0.00 0.00 175.02 172.50 2i9h n PRO 73 N 5.33 0.74 -3.51 3.16 -0.04 -1.26 -4.87 135.00 134.55 2i9h n PRO 73 Ca -0.06 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.24 2i9h n PRO 73 Cb 0.53 0.00 -0.05 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 0.02 0.00 -0.17 0.52 2.01 -1.26 -4.44 115.64 112.32 2i9h s THR 74 Ca 0.00 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 2i9h s THR 74 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 2i9h s THR 74 CO 0.00 0.00 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.06 2i9h s LEU 75 N -1.43 2.69 -0.11 4.42 1.43 -0.95 -1.76 118.68 122.96 2i9h s LEU 75 Ca -0.08 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 2i9h s LEU 75 Cb -0.00 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.58 2i9h s LEU 75 CO 0.05 0.07 -0.23 -0.76 0.23 0.00 0.00 176.35 175.71 2i9h s LEU 76 N 0.90 2.09 -0.05 1.79 1.43 -0.31 -1.22 118.68 123.31 2i9h s LEU 76 Ca -0.03 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 2i9h s LEU 76 Cb -0.15 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 2i9h s LEU 76 CO -0.00 0.14 -0.05 -0.76 0.23 0.00 0.00 176.35 175.91 2i9h s LEU 77 N 0.46 3.28 -0.07 1.79 1.02 0.06 -2.03 118.68 123.19 2i9h s LEU 77 Ca -0.16 -0.01 -0.03 0.00 0.02 0.00 0.00 54.13 53.95 2i9h s LEU 77 Cb -0.17 -1.77 0.04 0.00 0.02 0.00 0.00 46.19 44.31 2i9h s LEU 77 CO 0.06 0.34 0.14 -0.36 0.02 0.00 0.00 176.35 176.56 2i9h s PHE 78 N -0.88 -0.15 -0.07 0.29 0.08 -1.17 -2.77 117.98 113.30 2i9h s PHE 78 Ca 0.14 0.50 0.04 0.00 0.12 0.00 0.00 56.93 57.74 2i9h s PHE 78 Cb -0.11 -0.17 -0.02 0.00 -0.57 0.00 0.00 43.02 42.16 2i9h s PHE 78 CO 0.03 -0.20 -0.19 0.15 -0.10 0.00 0.00 175.22 174.91 2i9h s LYS 79 N 1.59 2.66 -1.06 0.44 1.02 -0.97 -2.12 119.74 121.31 2i9h s LYS 79 Ca -0.04 -0.80 -0.17 0.00 0.02 0.00 0.00 55.97 54.98 2i9h s LYS 79 Cb -0.12 -2.31 -0.00 0.00 -0.52 0.00 0.00 37.83 34.88 2i9h s LYS 79 CO -0.06 0.44 0.75 0.09 -0.92 0.00 0.00 175.35 175.66 2i9h n ASN 80 N 2.82 -5.48 -1.95 2.83 4.13 -1.18 -0.89 115.26 115.54 2i9h n ASN 80 Ca -0.17 -0.93 -0.11 0.00 1.68 0.00 0.00 54.58 55.05 2i9h n ASN 80 Cb 0.52 -3.25 -0.02 0.00 -1.54 0.00 0.00 39.78 35.48 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 -1.71 0.20 0.00 7.41 0.00 0.80 -4.25 105.19 107.64 2i9h n GLY 81 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.31 1.50 -3.81 1.61 4.76 -0.07 -4.66 118.16 115.19 2i9h n LYS 82 Ca -0.12 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.06 2i9h n LYS 82 Cb 0.50 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.69 2i9h n LYS 82 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2i9h n GLU 83 N 0.00 0.65 0.00 1.97 2.13 -1.26 -2.28 120.64 121.85 2i9h n GLU 83 Ca 0.00 -3.49 0.00 0.00 0.66 0.00 0.00 57.16 54.33 2i9h n GLU 83 Cb 0.00 0.32 0.00 0.00 0.27 0.00 0.00 31.44 32.03 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 -1.86 0.00 -3.64 6.31 0.24 -1.12 -3.61 118.33 114.65 2i9h n VAL 84 Ca -0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 2i9h n VAL 84 Cb 0.64 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.99 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 -1.74 -1.64 -0.16 2.33 0.00 -1.23 -5.04 121.76 114.28 2i9h s ALA 85 Ca 0.00 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 2i9h s ALA 85 Cb 0.00 0.64 0.05 0.00 0.00 0.00 0.00 23.12 23.81 2i9h s ALA 85 CO 0.00 -0.89 0.40 0.15 0.00 0.00 0.00 175.76 175.42 2i9h s LYS 86 N -3.40 0.43 -0.27 0.00 1.02 -1.26 -0.76 119.74 115.50 2i9h s LYS 86 Ca 0.08 0.66 -0.00 0.00 0.02 0.00 0.00 55.97 56.73 2i9h s LYS 86 Cb -0.02 0.10 0.16 0.00 -0.52 0.00 0.00 37.83 37.55 2i9h s LYS 86 CO -0.03 -0.11 0.45 0.08 -0.92 0.00 0.00 175.35 174.83 2i9h s VAL 87 N 0.78 -0.73 -1.10 3.17 1.01 -0.36 -5.04 120.40 118.13 2i9h s VAL 87 Ca -0.05 -0.12 -0.23 0.00 0.00 0.00 0.00 61.98 61.58 2i9h s VAL 87 Cb -0.06 -0.92 -0.13 0.00 0.00 0.00 0.00 36.38 35.27 2i9h s VAL 87 CO -0.06 -0.13 1.95 0.55 0.00 0.00 0.00 175.10 177.41 2i9h n VAL 88 N 5.38 1.56 0.00 2.92 3.14 -1.26 -2.25 118.33 127.82 2i9h n VAL 88 Ca -0.01 -1.59 0.00 0.00 -2.96 0.00 0.00 64.34 59.78 2i9h n VAL 88 Cb 0.50 -2.15 0.00 0.00 -1.06 0.00 0.00 33.84 31.13 2i9h n VAL 88 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2i9h n GLY 89 N 5.68 0.58 2.19 7.55 0.00 -1.26 -4.88 105.19 115.04 2i9h n GLY 89 Ca 0.45 0.59 -0.29 0.00 0.00 0.00 0.00 46.02 46.77 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 5.89 -2.08 4.61 0.00 -1.26 -4.35 120.51 123.31 2i9h n ALA 90 Ca 0.00 -2.90 -0.38 0.00 0.00 0.00 0.00 53.44 50.15 2i9h n ALA 90 Cb 0.00 -1.63 -0.06 0.00 0.00 0.00 0.00 19.45 17.76 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 -1.23 7.23 -0.79 0.00 3.84 -1.26 -4.79 114.94 117.94 2i9h s ASN 91 Ca 0.55 1.49 -0.12 0.00 0.21 0.00 0.00 52.86 54.99 2i9h s ASN 91 Cb 0.43 -2.44 -0.23 0.00 -0.55 0.00 0.00 41.25 38.45 2i9h s ASN 91 CO 0.01 0.19 2.01 -2.65 -2.79 0.00 0.00 177.10 173.86 2i9h n PRO 92 N 1.42 0.12 0.00 0.43 -0.02 -1.26 -2.87 135.00 132.82 2i9h n PRO 92 Ca -0.06 -0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 2i9h n PRO 92 Cb 0.50 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 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 9.09 0.00 0.00 3.55 0.00 -1.26 -5.01 120.51 126.88 2i9h n ALA 93 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 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 -0.56 2.21 0.27 0.00 0.00 -1.14 -4.52 120.51 116.77 2i9h n ALA 94 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2i9h n ALA 94 Cb 0.00 0.42 0.51 0.00 0.00 0.00 0.00 19.45 20.38 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 -1.76 0.90 117.51 122.74 2i9h h ILE 95 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2i9h h ILE 95 Cb 0.84 0.41 0.00 0.00 0.47 0.00 0.00 36.82 38.55 2i9h h ILE 95 CO 0.00 0.00 -0.17 0.29 -3.07 0.00 0.00 178.15 175.20 2i9h n LYS 96 N -2.48 0.15 -0.05 2.19 4.76 -1.26 -3.95 118.16 117.51 2i9h n LYS 96 Ca -0.01 0.32 0.03 0.00 -2.87 0.00 0.00 58.31 55.79 2i9h n LYS 96 Cb 0.46 -1.04 0.39 0.00 -1.84 0.00 0.00 35.03 32.99 2i9h n LYS 96 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 2i9h h GLN 97 N -0.32 0.64 -0.27 1.97 7.50 -1.70 -0.74 115.11 122.18 2i9h h GLN 97 Ca 0.00 -0.04 0.06 0.00 0.50 0.00 0.00 58.65 59.17 2i9h h GLN 97 Cb 0.17 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.55 2i9h h GLN 97 CO 0.00 0.42 0.19 0.00 -1.50 0.00 0.00 178.83 177.94 2i9h h ALA 98 N 1.70 2.12 0.00 3.87 0.00 0.60 0.11 119.26 127.67 2i9h h ALA 98 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2i9h h ALA 98 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2i9h h ALA 98 CO -0.04 -0.19 -0.75 -0.89 0.00 0.00 0.00 179.25 177.39 2i9h n ILE 99 N -4.48 0.29 -0.01 0.00 5.41 -0.35 -3.63 119.36 116.59 2i9h n ILE 99 Ca 0.03 -0.26 -0.01 0.00 1.00 0.00 0.00 62.75 63.52 2i9h n ILE 99 Cb 0.28 -0.01 -0.00 0.00 -0.71 0.00 0.00 39.64 39.19 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 -1.82 0.07 -0.11 -1.39 0.00 0.15 -2.51 120.51 114.90 2i9h n ALA 100 Ca 0.03 -0.17 0.27 0.00 0.00 0.00 0.00 53.44 53.56 2i9h n ALA 100 Cb 0.44 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.61 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 -1.86 2.67 0.00 0.00 0.00 -1.12 -1.67 119.26 117.28 2i9h h ALA 101 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2i9h h ALA 101 Cb 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2i9h h ALA 101 CO 0.00 -1.02 -0.36 -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 4.21 -1.72 -3.51 115.58 114.56 2i9h h ASN 102 Ca 0.37 -0.68 0.00 0.00 1.21 0.00 0.00 56.30 57.20 2i9h h ASN 102 Cb 1.61 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.81 2i9h h ASN 102 CO -0.00 1.05 0.00 0.00 -1.29 0.00 0.00 177.43 177.18