#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qio n GLU 2 N 0.00 -0.03 -0.33 3.17 0.00 -1.22 -3.58 120.64 118.65 2qio n GLU 2 Ca 0.00 -0.22 0.18 0.00 0.00 0.00 0.00 57.16 57.12 2qio n GLU 2 Cb 0.00 -0.59 0.42 0.00 0.00 0.00 0.00 31.44 31.27 2qio n GLU 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2qio h LEU 3 N 0.00 0.61 -3.17 4.31 3.38 -1.87 -1.29 115.31 117.28 2qio h LEU 3 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2qio h LEU 3 Cb 0.51 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2qio h LEU 3 CO 0.00 0.17 0.00 0.18 0.09 0.00 0.00 178.44 178.88 2qio n LEU 4 N -4.71 3.42 -4.66 1.67 4.77 0.11 -4.73 117.00 112.86 2qio n LEU 4 Ca 0.24 -2.95 -0.46 0.00 -0.03 0.00 0.00 56.01 52.82 2qio n LEU 4 Cb 0.72 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 2qio n LEU 4 CO 0.23 0.68 1.05 1.67 -1.33 0.00 0.00 177.39 179.69 2qio n GLN 5 N -0.67 1.99 0.00 3.23 0.00 -0.49 -1.25 117.38 120.19 2qio n GLN 5 Ca 0.19 0.71 0.00 0.00 -0.00 0.00 0.00 57.00 57.90 2qio n GLN 5 Cb 0.79 -2.39 0.00 0.00 0.00 0.00 0.00 30.24 28.64 2qio n GLN 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qio n GLY 6 N 2.53 2.43 3.89 1.69 0.00 -1.26 -5.00 105.19 109.47 2qio n GLY 6 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2qio n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qio s LYS 7 N -0.23 3.66 -0.11 1.61 -0.14 -0.38 -4.99 119.74 119.15 2qio s LYS 7 Ca 0.00 -0.00 0.03 0.00 -1.36 0.00 0.00 55.97 54.64 2qio s LYS 7 Cb 0.00 -2.92 0.01 0.00 -1.68 0.00 0.00 37.83 33.24 2qio s LYS 7 CO 0.00 0.52 -0.21 0.99 -0.76 0.00 0.00 175.35 175.89 2qio s THR 8 N -1.54 1.85 0.12 2.17 2.01 -1.26 -1.09 115.64 117.90 2qio s THR 8 Ca 0.37 -0.88 0.10 0.00 0.31 0.00 0.00 61.69 61.58 2qio s THR 8 Cb -0.13 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 2qio s THR 8 CO 0.21 0.51 -0.24 -0.36 -0.69 0.00 0.00 174.62 174.06 2qio s PHE 9 N 0.60 2.06 -0.31 4.92 0.40 0.25 -0.28 117.98 125.63 2qio s PHE 9 Ca -0.13 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.68 2qio s PHE 9 Cb -0.17 -1.12 -0.03 0.00 0.51 0.00 0.00 43.02 42.21 2qio s PHE 9 CO 0.04 0.27 0.21 0.08 0.70 0.00 0.00 175.22 176.52 2qio s VAL 10 N -1.11 5.27 -0.25 -0.44 1.01 -0.52 -0.61 120.40 123.75 2qio s VAL 10 Ca 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 2qio s VAL 10 Cb -0.10 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 2qio s VAL 10 CO 0.05 0.13 0.05 -0.69 0.00 0.00 0.00 175.10 174.64 2qio s VAL 11 N 1.74 4.08 -0.15 2.92 1.01 0.82 -0.21 120.40 130.60 2qio s VAL 11 Ca 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 2qio s VAL 11 Cb -0.17 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 2qio s VAL 11 CO 0.11 0.32 -0.10 -0.04 0.00 0.00 0.00 175.10 175.39 2qio s MET 12 N 1.57 3.42 0.00 2.72 -1.94 -0.05 -1.99 119.30 123.03 2qio s MET 12 Ca 0.06 -0.65 0.00 0.00 -1.71 0.00 0.00 55.69 53.38 2qio s MET 12 Cb -0.15 -2.74 0.00 0.00 2.01 0.00 0.00 34.83 33.95 2qio s MET 12 CO 0.02 0.13 0.00 0.41 -0.01 0.00 0.00 175.02 175.57 2qio n GLY 13 N 3.80 1.13 3.72 -0.03 0.00 -1.15 -1.13 105.19 111.52 2qio n GLY 13 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2qio n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qio s VAL 14 N -2.00 3.45 -0.02 1.61 1.01 -1.26 -4.65 120.40 118.54 2qio s VAL 14 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.03 2qio s VAL 14 Cb 0.00 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 2qio s VAL 14 CO 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 175.10 175.17 2qio n ALA 15 N 3.84 2.03 -3.16 5.51 0.00 -1.26 -4.77 120.51 122.70 2qio n ALA 15 Ca 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.44 2qio n ALA 15 Cb 0.43 0.45 0.00 0.00 0.00 0.00 0.00 19.45 20.33 2qio n ALA 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2qio n ASN 16 N -2.61 -0.38 0.27 0.00 0.23 -1.26 -4.67 115.26 106.83 2qio n ASN 16 Ca -0.04 -1.30 0.14 0.00 -0.53 0.00 0.00 54.58 52.85 2qio n ASN 16 Cb 0.54 0.64 0.85 0.00 -2.08 0.00 0.00 39.78 39.73 2qio n ASN 16 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2qio h GLN 17 N 0.00 0.00 -0.00 -3.83 4.15 -1.99 -2.31 115.11 111.12 2qio h GLN 17 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.36 2qio h GLN 17 Cb 0.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.91 2qio h GLN 17 CO 0.08 0.00 -0.47 0.54 -1.93 0.00 0.00 178.83 177.04 2qio n ARG 18 N -3.97 0.23 -1.65 1.69 1.74 -1.26 -4.79 116.66 108.65 2qio n ARG 18 Ca -0.02 -0.14 -0.44 0.00 -0.77 0.00 0.00 57.85 56.48 2qio n ARG 18 Cb 0.14 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.07 2qio n ARG 18 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2qio n SER 19 N -1.26 2.21 0.01 0.55 7.64 -0.87 -4.73 113.62 117.17 2qio n SER 19 Ca 0.07 1.19 0.01 0.00 1.01 0.00 0.00 58.87 61.15 2qio n SER 19 Cb 0.34 -1.40 0.34 0.00 -1.01 0.00 0.00 64.21 62.48 2qio n SER 19 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2qio h ILE 20 N 2.42 1.17 -0.64 0.44 2.04 -1.90 -1.14 117.51 119.90 2qio h ILE 20 Ca -0.44 -0.59 0.04 0.00 1.00 0.00 0.00 64.86 64.87 2qio h ILE 20 Cb 1.30 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 2qio h ILE 20 CO 0.64 0.21 0.42 0.00 0.00 0.00 0.00 178.15 179.42 2qio h ALA 21 N 1.59 1.68 -0.61 1.87 0.00 -1.89 0.42 119.26 122.32 2qio h ALA 21 Ca 0.12 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2qio h ALA 21 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2qio h ALA 21 CO -0.00 0.25 0.01 2.35 0.00 0.00 0.00 179.25 181.85 2qio h TRP 22 N 0.73 1.17 -0.94 0.00 -0.00 -1.50 0.22 115.95 115.64 2qio h TRP 22 Ca 0.26 -0.20 0.01 0.00 -0.00 0.00 0.00 58.89 58.96 2qio h TRP 22 Cb 0.11 -0.31 -0.05 0.00 -0.00 0.00 0.00 29.16 28.92 2qio h TRP 22 CO -0.00 1.03 0.63 0.78 -0.00 0.00 0.00 178.44 180.87 2qio h GLY 23 N 0.97 1.33 0.95 2.65 0.00 -0.81 -0.90 103.07 107.26 2qio h GLY 23 Ca 0.17 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 2qio h GLY 23 CO 0.03 0.48 0.02 -2.22 0.00 0.00 0.00 176.54 174.85 2qio h ILE 24 N 1.28 1.26 0.02 2.60 2.04 -0.28 -2.13 117.51 122.28 2qio h ILE 24 Ca 0.35 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 65.23 2qio h ILE 24 Cb -0.14 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2qio h ILE 24 CO -0.08 0.34 -0.10 0.00 0.00 0.00 0.00 178.15 178.31 2qio h ALA 25 N 0.90 -0.12 -0.75 1.87 0.00 0.07 -0.23 119.26 121.00 2qio h ALA 25 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2qio h ALA 25 Cb 0.46 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2qio h ALA 25 CO 0.02 -0.59 0.46 0.00 0.00 0.00 0.00 179.25 179.14 2qio h ARG 26 N -0.17 0.85 -0.59 0.00 3.08 -1.09 0.10 114.38 116.56 2qio h ARG 26 Ca 0.03 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2qio h ARG 26 Cb 0.21 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2qio h ARG 26 CO -0.09 0.56 0.18 0.77 -1.07 0.00 0.00 179.97 180.33 2qio h SER 27 N 0.88 0.86 -0.57 7.04 0.02 -1.01 -0.50 113.55 120.27 2qio h SER 27 Ca 0.31 -0.21 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 2qio h SER 27 Cb 0.08 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 2qio h SER 27 CO -0.14 0.84 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.30 2qio h LEU 28 N 0.83 1.00 -0.70 5.07 3.38 -0.41 -1.57 115.31 122.92 2qio h LEU 28 Ca 0.19 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 2qio h LEU 28 Cb 0.29 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2qio h LEU 28 CO -0.01 1.08 0.10 -0.74 0.09 0.00 0.00 178.44 178.96 2qio h HIS 29 N 0.90 1.17 0.00 1.13 2.76 -0.79 -1.07 115.15 119.25 2qio h HIS 29 Ca 0.16 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2qio h HIS 29 Cb 0.58 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2qio h HIS 29 CO 0.04 0.98 0.00 -0.91 -1.30 0.00 0.00 177.93 176.74 2qio h ASN 30 N 1.03 0.00 -0.36 3.26 2.35 -0.84 -0.85 115.58 120.17 2qio h ASN 30 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2qio h ASN 30 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2qio h ASN 30 CO 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.79 2qio n ALA 31 N -2.00 2.45 -0.56 -0.83 0.00 -0.61 -3.04 120.51 115.93 2qio n ALA 31 Ca 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2qio n ALA 31 Cb 0.30 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2qio n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qio n GLY 32 N 1.19 0.71 3.92 0.00 0.00 -0.32 0.04 105.19 110.72 2qio n GLY 32 Ca 0.15 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 2qio n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qio s ALA 33 N -2.00 3.33 0.05 4.61 0.00 -0.49 -3.72 121.76 123.54 2qio s ALA 33 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2qio s ALA 33 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 2qio s ALA 33 CO 0.00 -0.71 0.06 0.15 0.00 0.00 0.00 175.76 175.26 2qio s LYS 34 N -4.94 2.89 0.13 0.00 1.02 -0.25 -4.45 119.74 114.14 2qio s LYS 34 Ca 0.53 -0.63 0.07 0.00 0.02 0.00 0.00 55.97 55.95 2qio s LYS 34 Cb -0.10 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.43 2qio s LYS 34 CO 0.45 0.60 -0.17 -0.51 -0.92 0.00 0.00 175.35 174.80 2qio s LEU 35 N -2.08 2.38 -0.05 3.17 1.43 -1.26 -0.59 118.68 121.68 2qio s LEU 35 Ca 0.26 -0.78 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 2qio s LEU 35 Cb -0.12 -0.71 0.01 0.00 0.03 0.00 0.00 46.19 45.39 2qio s LEU 35 CO 0.18 -0.05 -0.12 -0.63 0.23 0.00 0.00 176.35 175.95 2qio s ILE 36 N -1.79 1.11 -0.01 -0.59 1.01 0.22 -4.07 121.20 117.08 2qio s ILE 36 Ca 0.09 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.28 2qio s ILE 36 Cb -0.07 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 2qio s ILE 36 CO 0.04 0.34 -0.11 -0.36 0.00 0.00 0.00 174.94 174.85 2qio s PHE 37 N 0.40 2.77 -0.02 3.97 0.40 -0.19 -0.12 117.98 125.18 2qio s PHE 37 Ca -0.09 -0.11 0.05 0.00 -0.60 0.00 0.00 56.93 56.18 2qio s PHE 37 Cb -0.13 -1.60 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 2qio s PHE 37 CO 0.02 0.29 -0.18 0.95 0.70 0.00 0.00 175.22 177.00 2qio s THR 38 N -0.88 1.43 0.19 0.64 -4.23 -0.84 -0.40 115.64 111.55 2qio s THR 38 Ca 0.14 -0.76 0.09 0.00 -1.18 0.00 0.00 61.69 59.99 2qio s THR 38 Cb -0.11 -1.20 -0.04 0.00 1.34 0.00 0.00 72.50 72.49 2qio s THR 38 CO 0.04 0.41 -0.19 -0.72 -0.54 0.00 0.00 174.62 173.62 2qio s TYR 39 N -0.30 1.93 0.20 3.99 1.13 -0.24 -2.95 117.35 121.12 2qio s TYR 39 Ca 0.04 -0.45 -0.10 0.00 -1.41 0.00 0.00 57.07 55.15 2qio s TYR 39 Cb -0.08 -0.93 0.21 0.00 -1.10 0.00 0.00 41.96 40.06 2qio s TYR 39 CO 0.00 0.41 1.81 0.00 -2.51 0.00 0.00 175.55 175.26 2qio h ALA 40 N 3.02 0.85 -2.53 9.51 0.00 -1.86 0.82 119.26 129.06 2qio h ALA 40 Ca -0.42 0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.65 2qio h ALA 40 Cb 1.22 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2qio h ALA 40 CO 0.53 0.05 0.52 0.20 0.00 0.00 0.00 179.25 180.55 2qio s GLY 41 N -2.97 0.04 0.34 0.00 0.00 -1.26 -3.55 107.32 99.92 2qio s GLY 41 Ca -0.13 -0.25 0.13 0.00 0.00 0.00 0.00 44.72 44.47 2qio s GLY 41 CO 0.76 1.37 1.62 -2.09 0.00 0.00 0.00 173.10 174.76 2qio h GLU 42 N 2.00 0.16 -0.90 2.90 4.81 -2.01 -1.41 114.58 120.13 2qio h GLU 42 Ca -0.27 -0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.14 2qio h GLU 42 Cb 1.23 -0.04 -0.11 0.00 0.63 0.00 0.00 28.75 30.46 2qio h GLU 42 CO 0.33 0.11 0.45 0.00 -0.73 0.00 0.00 179.01 179.17 2qio h ARG 43 N 0.17 0.52 0.00 1.92 3.08 -2.01 -2.31 114.38 115.74 2qio h ARG 43 Ca 0.72 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.74 2qio h ARG 43 Cb 1.70 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.64 2qio h ARG 43 CO -0.70 0.34 -0.40 -0.07 -1.07 0.00 0.00 179.97 178.07 2qio h LEU 44 N 0.53 0.00 -0.84 3.04 4.07 -1.63 -3.40 115.31 117.08 2qio h LEU 44 Ca 0.54 -0.11 0.21 0.00 0.08 0.00 0.00 57.88 58.60 2qio h LEU 44 Cb 0.92 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.52 2qio h LEU 44 CO -0.45 0.05 0.19 -0.08 -1.08 0.00 0.00 178.44 177.07 2qio h GLU 45 N 0.00 0.20 -0.19 1.13 4.81 -1.40 -1.47 114.58 117.66 2qio h GLU 45 Ca 0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2qio h GLU 45 Cb 0.79 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 2qio h GLU 45 CO 0.00 0.13 0.10 -0.09 -0.73 0.00 0.00 179.01 178.42 2qio h ARG 46 N 0.20 0.27 -0.38 1.92 2.43 -1.78 -1.80 114.38 115.25 2qio h ARG 46 Ca 0.51 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.68 2qio h ARG 46 Cb 0.99 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 2qio h ARG 46 CO -0.64 0.27 0.19 -0.91 -1.51 0.00 0.00 179.97 177.37 2qio h ASN 47 N 0.19 0.28 -0.38 -3.80 2.35 -1.57 -1.76 115.58 110.89 2qio h ASN 47 Ca 0.07 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 2qio h ASN 47 Cb 0.08 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2qio h ASN 47 CO -0.01 0.21 0.03 0.58 -1.65 0.00 0.00 177.43 176.58 2qio h VAL 48 N 0.39 1.25 0.14 2.81 2.07 -1.38 -0.70 116.25 120.84 2qio h VAL 48 Ca 0.16 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 2qio h VAL 48 Cb 0.06 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2qio h VAL 48 CO -0.11 0.32 -0.11 -0.09 0.02 0.00 0.00 177.57 177.60 2qio h ARG 49 N 0.49 -0.25 -0.84 1.57 9.65 -1.22 0.29 114.38 124.07 2qio h ARG 49 Ca 0.11 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.99 2qio h ARG 49 Cb 0.43 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.02 2qio h ARG 49 CO 0.01 -0.17 0.45 0.93 2.80 0.00 0.00 179.97 184.00 2qio h GLU 50 N -0.26 1.17 -0.02 0.20 5.08 -1.30 0.09 114.58 119.54 2qio h GLU 50 Ca -0.01 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2qio h GLU 50 Cb 0.24 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2qio h GLU 50 CO -0.01 0.86 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.79 2qio h LEU 51 N 1.17 0.04 -1.00 1.33 3.38 -0.77 -2.83 115.31 116.63 2qio h LEU 51 Ca 0.29 -0.31 0.15 0.00 0.09 0.00 0.00 57.88 58.10 2qio h LEU 51 Cb 0.04 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.68 2qio h LEU 51 CO -0.05 0.34 0.62 0.00 0.09 0.00 0.00 178.44 179.44 2qio h ALA 52 N 0.70 1.58 0.00 1.53 0.00 -0.20 -1.18 119.26 121.69 2qio h ALA 52 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qio h ALA 52 Cb 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2qio h ALA 52 CO 0.00 0.10 0.00 -0.25 0.00 0.00 0.00 179.25 179.11 2qio n ASP 53 N -4.69 0.00 0.13 0.00 8.00 -0.00 -2.12 116.55 117.87 2qio n ASP 53 Ca 0.21 0.33 0.13 0.00 0.71 0.00 0.00 54.79 56.17 2qio n ASP 53 Cb 0.45 -0.43 0.40 0.00 -0.02 0.00 0.00 41.12 41.52 2qio n ASP 53 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2qio h THR 54 N 0.00 0.00 -3.37 -3.53 1.35 -1.03 -3.44 112.91 102.90 2qio h THR 54 Ca 0.00 -0.50 -0.56 0.00 -0.55 0.00 0.00 66.41 64.80 2qio h THR 54 Cb 0.28 1.46 -0.05 0.00 -1.73 0.00 0.00 68.15 68.12 2qio h THR 54 CO 0.00 0.00 0.22 -0.76 -0.25 0.00 0.00 175.52 174.73 2qio s LEU 55 N -4.76 4.31 0.51 3.87 1.43 -0.90 -5.03 118.68 118.11 2qio s LEU 55 Ca 0.09 1.33 -0.23 0.00 -1.03 0.00 0.00 54.13 54.29 2qio s LEU 55 Cb 0.11 -3.25 -0.06 0.00 0.03 0.00 0.00 46.19 43.02 2qio s LEU 55 CO 0.57 -0.21 1.33 -1.61 0.23 0.00 0.00 176.35 176.66 2qio s GLU 56 N 1.08 3.36 0.00 1.70 8.01 -1.26 -4.83 118.70 126.76 2qio s GLU 56 Ca 0.42 2.17 0.00 0.00 0.01 0.00 0.00 54.97 57.57 2qio s GLU 56 Cb -0.19 -2.36 0.00 0.00 -4.31 0.00 0.00 34.13 27.28 2qio s GLU 56 CO 0.20 -0.99 0.00 0.41 0.01 0.00 0.00 175.26 174.89 2qio n GLY 57 N 0.65 0.21 3.73 -1.39 0.00 -1.26 -5.06 105.19 102.07 2qio n GLY 57 Ca 0.09 -2.30 -0.34 0.00 0.00 0.00 0.00 46.02 43.46 2qio n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qio s GLN 58 N 0.00 2.26 0.02 1.61 -0.21 -1.26 -4.90 119.66 117.19 2qio s GLN 58 Ca 0.00 1.74 -0.30 0.00 0.02 0.00 0.00 55.36 56.82 2qio s GLN 58 Cb 0.00 -1.85 -0.08 0.00 1.00 0.00 0.00 33.01 32.08 2qio s GLN 58 CO 0.00 -1.74 1.84 -2.00 -2.12 0.00 0.00 175.29 171.27 2qio s GLU 59 N -3.88 4.16 0.44 2.91 2.56 -1.26 -4.94 118.70 118.69 2qio s GLU 59 Ca 0.74 2.47 -0.21 0.00 0.00 0.00 0.00 54.97 57.96 2qio s GLU 59 Cb -0.29 -4.02 -0.10 0.00 2.00 0.00 0.00 34.13 31.73 2qio s GLU 59 CO 0.44 -0.90 0.98 -1.12 -0.56 0.00 0.00 175.26 174.11 2qio s SER 60 N 3.80 6.78 0.07 -1.70 0.01 -1.26 -5.01 113.70 116.39 2qio s SER 60 Ca 0.82 1.79 -0.31 0.00 1.31 0.00 0.00 55.95 59.57 2qio s SER 60 Cb -0.40 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.22 2qio s SER 60 CO 0.37 -0.47 1.24 -0.22 0.41 0.00 0.00 173.24 174.57 2qio s LEU 61 N -3.16 4.37 -0.12 2.44 2.96 -1.26 -4.95 118.68 118.95 2qio s LEU 61 Ca 0.63 2.08 0.01 0.00 -0.22 0.00 0.00 54.13 56.62 2qio s LEU 61 Cb -0.13 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.00 2qio s LEU 61 CO 0.17 -0.51 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.86 2qio s VAL 62 N 1.10 1.43 -0.00 1.68 1.01 -1.26 -1.02 120.40 123.33 2qio s VAL 62 Ca 0.60 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2qio s VAL 62 Cb -0.31 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 2qio s VAL 62 CO 0.29 0.43 -0.07 -0.76 0.00 0.00 0.00 175.10 174.99 2qio s LEU 63 N 1.24 2.03 0.38 3.92 1.43 0.46 -4.99 118.68 123.15 2qio s LEU 63 Ca -0.01 -0.15 -0.26 0.00 -1.03 0.00 0.00 54.13 52.67 2qio s LEU 63 Cb -0.14 -0.35 -0.09 0.00 0.03 0.00 0.00 46.19 45.64 2qio s LEU 63 CO -0.05 0.07 1.20 -2.16 0.23 0.00 0.00 176.35 175.63 2qio s PRO 64 N -0.24 4.16 -0.32 1.29 0.04 -1.26 -1.08 135.00 137.59 2qio s PRO 64 Ca 0.02 1.92 0.06 0.00 0.04 0.00 0.00 61.00 63.05 2qio s PRO 64 Cb -0.03 -2.80 0.19 0.00 0.04 0.00 0.00 34.50 31.90 2qio s PRO 64 CO -0.00 -0.25 0.58 0.00 0.04 0.00 0.00 177.00 177.37 2qio s ASP 66 N 2.57 6.30 0.00 0.00 -1.08 -1.23 -4.14 116.67 119.09 2qio s ASP 66 Ca 0.11 -0.44 0.08 0.00 -0.52 0.00 0.00 52.55 51.78 2qio s ASP 66 Cb -0.09 -2.45 0.49 0.00 -1.46 0.00 0.00 42.92 39.40 2qio s ASP 66 CO -0.22 -1.34 0.98 1.33 0.52 0.00 0.00 175.17 176.44 2qio n VAL 67 N 6.20 0.12 1.10 1.11 0.24 -1.26 -1.13 118.33 124.70 2qio n VAL 67 Ca 0.01 0.03 0.12 0.00 -2.04 0.00 0.00 64.34 62.46 2qio n VAL 67 Cb 0.47 -0.90 0.22 0.00 -1.47 0.00 0.00 33.84 32.17 2qio n VAL 67 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2qio n THR 68 N -1.04 0.00 -3.90 3.34 5.66 -1.26 -4.75 114.28 112.33 2qio n THR 68 Ca 0.06 -0.08 -0.34 0.00 -3.05 0.00 0.00 64.05 60.64 2qio n THR 68 Cb 0.03 0.52 -0.13 0.00 -1.55 0.00 0.00 70.33 69.20 2qio n THR 68 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2qio s ASN 69 N -2.74 4.94 0.23 1.09 3.84 -0.28 -5.02 114.94 116.99 2qio s ASN 69 Ca 0.17 -1.66 -0.07 0.00 0.21 0.00 0.00 52.86 51.50 2qio s ASN 69 Cb 0.18 -1.72 0.26 0.00 -0.55 0.00 0.00 41.25 39.42 2qio s ASN 69 CO 0.64 -0.36 1.88 0.44 -2.79 0.00 0.00 177.10 176.91 2qio h ASP 70 N 7.92 0.92 -0.27 -4.21 3.32 -1.85 -0.49 116.42 121.75 2qio h ASP 70 Ca -0.16 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 2qio h ASP 70 Cb 1.05 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 2qio h ASP 70 CO 0.57 0.63 0.08 -0.33 -1.72 0.00 0.00 179.24 178.47 2qio h GLU 71 N 1.07 0.43 -0.41 3.56 5.08 -1.95 -0.42 114.58 121.94 2qio h GLU 71 Ca 0.34 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 2qio h GLU 71 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2qio h GLU 71 CO -0.12 0.50 -0.00 1.49 -1.00 0.00 0.00 179.01 179.88 2qio h GLU 72 N 0.28 0.73 -0.34 2.33 4.81 -1.85 -0.06 114.58 120.47 2qio h GLU 72 Ca 0.09 -0.23 0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2qio h GLU 72 Cb 0.26 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2qio h GLU 72 CO -0.00 0.81 0.16 1.25 -0.73 0.00 0.00 179.01 180.51 2qio h LEU 73 N 0.56 0.24 -0.61 1.64 6.46 -0.99 0.33 115.31 122.93 2qio h LEU 73 Ca 0.12 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.81 2qio h LEU 73 Cb 0.49 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 2qio h LEU 73 CO 0.02 0.18 0.05 0.74 -0.62 0.00 0.00 178.44 178.81 2qio h THR 74 N 0.34 1.26 -0.17 1.05 2.02 -0.99 -2.52 112.91 113.91 2qio h THR 74 Ca 0.14 -1.08 -0.11 0.00 0.77 0.00 0.00 66.41 66.13 2qio h THR 74 Cb 0.06 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2qio h THR 74 CO -0.11 0.40 -0.39 0.00 0.37 0.00 0.00 175.52 175.79 2qio h ALA 75 N 1.01 1.03 -0.18 6.16 0.00 -0.56 -1.92 119.26 124.80 2qio h ALA 75 Ca 0.18 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2qio h ALA 75 Cb 0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2qio h ALA 75 CO 0.02 0.60 0.10 0.00 0.00 0.00 0.00 179.25 179.97 2qio h PHE 77 N 0.18 0.00 -0.23 0.00 0.04 -1.32 -1.17 116.94 114.44 2qio h PHE 77 Ca 0.06 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.65 2qio h PHE 77 Cb 0.07 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 2qio h PHE 77 CO -0.04 0.21 -0.59 0.93 -0.60 0.00 0.00 178.31 178.23 2qio h GLU 78 N 0.00 0.75 -0.45 1.51 4.39 -1.01 -1.25 114.58 118.52 2qio h GLU 78 Ca -0.00 -0.49 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 2qio h GLU 78 Cb 0.80 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 2qio h GLU 78 CO 0.03 1.12 0.16 1.15 -1.16 0.00 0.00 179.01 180.31 2qio h THR 79 N 0.56 1.21 -0.90 1.13 2.02 -0.77 -1.28 112.91 114.89 2qio h THR 79 Ca 0.00 -0.68 0.05 0.00 0.77 0.00 0.00 66.41 66.55 2qio h THR 79 Cb 1.18 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 68.35 2qio h THR 79 CO 0.12 0.25 0.59 0.40 0.37 0.00 0.00 175.52 177.25 2qio h ILE 80 N 0.58 1.10 -0.08 3.11 2.04 -1.05 -0.38 117.51 122.83 2qio h ILE 80 Ca 0.15 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2qio h ILE 80 Cb 0.23 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 2qio h ILE 80 CO -0.01 0.19 0.00 0.50 0.00 0.00 0.00 178.15 178.84 2qio h LYS 81 N 1.06 0.14 -0.31 2.37 3.64 -0.65 -1.37 116.57 121.45 2qio h LYS 81 Ca 0.37 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.69 2qio h LYS 81 Cb 0.13 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2qio h LYS 81 CO -0.13 0.39 0.11 1.96 -2.27 0.00 0.00 179.45 179.51 2qio h GLN 82 N -0.14 0.43 0.03 1.90 4.20 -0.89 0.48 115.11 121.13 2qio h GLN 82 Ca 0.02 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 2qio h GLN 82 Cb 0.33 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.03 2qio h GLN 82 CO 0.00 0.37 -0.24 1.49 -0.67 0.00 0.00 178.83 179.79 2qio h GLU 83 N 0.43 0.11 0.00 1.46 4.57 -0.96 -3.41 114.58 116.78 2qio h GLU 83 Ca 0.11 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2qio h GLU 83 Cb 0.11 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2qio h GLU 83 CO -0.01 1.02 -0.42 1.33 -1.18 0.00 0.00 179.01 179.74 2qio n VAL 84 N -4.49 0.00 0.00 0.32 0.24 -0.53 -5.04 118.33 108.84 2qio n VAL 84 Ca -0.11 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 2qio n VAL 84 Cb 0.55 0.79 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 2qio n VAL 84 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qio n GLY 85 N 1.60 1.24 2.93 7.63 0.00 0.17 -4.82 105.19 113.94 2qio n GLY 85 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2qio n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qio s THR 86 N 0.00 0.58 0.30 2.61 2.01 -1.26 -4.80 115.64 115.08 2qio s THR 86 Ca 0.00 -0.20 0.11 0.00 0.31 0.00 0.00 61.69 61.91 2qio s THR 86 Cb 0.00 -0.56 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 2qio s THR 86 CO 0.00 0.21 -0.14 0.27 -0.69 0.00 0.00 174.62 174.27 2qio s ILE 87 N 0.56 2.48 -1.16 1.82 -4.36 -0.90 -4.75 121.20 114.88 2qio s ILE 87 Ca -0.08 -2.28 0.11 0.00 -0.26 0.00 0.00 60.65 58.14 2qio s ILE 87 Cb -0.11 -2.48 0.16 0.00 1.25 0.00 0.00 42.46 41.28 2qio s ILE 87 CO 0.00 -0.32 0.99 1.41 0.24 0.00 0.00 174.94 177.27 2qio n HIS 88 N -0.72 0.17 0.00 1.37 8.25 0.62 -4.19 115.22 120.73 2qio n HIS 88 Ca -0.05 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 2qio n HIS 88 Cb 0.61 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.71 2qio n HIS 88 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qio n GLY 89 N 0.55 1.71 2.94 -1.41 0.00 -1.25 -2.48 105.19 105.26 2qio n GLY 89 Ca 0.08 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 2qio n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qio s VAL 90 N -2.00 0.54 -0.30 1.61 1.01 -1.03 -1.44 120.40 118.79 2qio s VAL 90 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 2qio s VAL 90 Cb 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.89 2qio s VAL 90 CO 0.00 0.19 0.08 0.00 0.00 0.00 0.00 175.10 175.37 2qio s ALA 91 N 0.32 3.06 -0.46 5.51 0.00 0.70 -0.47 121.76 130.41 2qio s ALA 91 Ca -0.04 -1.48 -0.14 0.00 0.00 0.00 0.00 51.96 50.30 2qio s ALA 91 Cb -0.08 -2.15 0.08 0.00 0.00 0.00 0.00 23.12 20.96 2qio s ALA 91 CO -0.00 -0.96 0.37 -1.58 0.00 0.00 0.00 175.76 173.59 2qio s HIS 92 N 1.49 3.27 -0.61 0.00 2.46 0.11 -0.87 115.29 121.14 2qio s HIS 92 Ca 0.02 -1.08 0.06 0.00 0.47 0.00 0.00 55.06 54.53 2qio s HIS 92 Cb -0.17 -3.13 0.28 0.00 -0.13 0.00 0.00 32.58 29.42 2qio s HIS 92 CO 0.02 -0.81 0.81 0.00 -2.47 0.00 0.00 174.74 172.29 2qio s ILE 94 N -3.11 0.87 -0.15 0.00 1.01 -1.26 -4.30 121.20 114.26 2qio s ILE 94 Ca 0.43 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 2qio s ILE 94 Cb 0.20 -0.75 0.10 0.00 0.01 0.00 0.00 42.46 42.02 2qio s ILE 94 CO -0.06 0.26 0.84 0.00 0.00 0.00 0.00 174.94 175.98 2qio s ALA 95 N -0.04 -1.86 -0.16 9.38 0.00 -1.26 -4.57 121.76 123.25 2qio s ALA 95 Ca 0.00 1.60 -0.28 0.00 0.00 0.00 0.00 51.96 53.28 2qio s ALA 95 Cb -0.07 -0.62 0.09 0.00 0.00 0.00 0.00 23.12 22.52 2qio s ALA 95 CO 0.00 -0.33 0.80 0.12 0.00 0.00 0.00 175.76 176.35 2qio s PHE 96 N -0.72 -0.62 -0.08 0.00 5.36 -1.26 -4.92 117.98 115.73 2qio s PHE 96 Ca -0.04 1.27 -0.21 0.00 -0.96 0.00 0.00 56.93 56.98 2qio s PHE 96 Cb -0.02 0.37 0.05 0.00 -0.34 0.00 0.00 43.02 43.08 2qio s PHE 96 CO 0.03 -0.45 0.50 0.00 -1.46 0.00 0.00 175.22 173.85 2qio s ALA 97 N -0.54 -1.28 0.22 11.12 0.00 -1.26 -4.13 121.76 125.89 2qio s ALA 97 Ca -0.04 1.02 -0.32 0.00 0.00 0.00 0.00 51.96 52.62 2qio s ALA 97 Cb -0.02 -0.24 -0.14 0.00 0.00 0.00 0.00 23.12 22.72 2qio s ALA 97 CO 0.04 -0.29 1.42 0.09 0.00 0.00 0.00 175.76 177.01 2qio n ASN 98 N 1.62 2.71 -0.34 0.00 3.02 -1.26 -4.86 115.26 116.16 2qio n ASN 98 Ca -0.18 1.13 0.08 0.00 -0.03 0.00 0.00 54.58 55.59 2qio n ASN 98 Cb 0.56 -1.41 0.28 0.00 -0.61 0.00 0.00 39.78 38.60 2qio n ASN 98 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2qio h ARG 99 N 4.38 0.89 0.00 3.52 2.43 -1.99 -1.43 114.38 122.18 2qio h ARG 99 Ca -0.45 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2qio h ARG 99 Cb 1.28 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2qio h ARG 99 CO 0.77 0.59 0.00 -0.40 -1.51 0.00 0.00 179.97 179.42 2qio n ASP 100 N -4.60 0.00 0.10 -3.80 5.68 -1.26 -1.75 116.55 110.92 2qio n ASP 100 Ca 0.18 0.12 0.11 0.00 -0.50 0.00 0.00 54.79 54.70 2qio n ASP 100 Cb 0.38 -0.31 -0.01 0.00 -1.14 0.00 0.00 41.12 40.04 2qio n ASP 100 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2qio n ASP 101 N -1.31 0.83 -1.46 -1.12 8.00 -0.54 -4.00 116.55 116.95 2qio n ASP 101 Ca 0.07 0.32 -0.09 0.00 0.71 0.00 0.00 54.79 55.80 2qio n ASP 101 Cb 0.13 0.48 0.06 0.00 -0.02 0.00 0.00 41.12 41.77 2qio n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qio n LEU 102 N -2.67 4.47 -3.56 0.64 4.77 -0.71 -4.41 117.00 115.53 2qio n LEU 102 Ca -0.00 -2.31 -0.11 0.00 -0.03 0.00 0.00 56.01 53.56 2qio n LEU 102 Cb 0.55 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 2qio n LEU 102 CO 0.40 0.74 0.25 -1.59 -1.33 0.00 0.00 177.39 175.86 2qio s LYS 103 N -1.15 1.12 4.19 3.23 -2.85 -1.26 -4.64 119.74 118.38 2qio s LYS 103 Ca 0.20 -0.56 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 2qio s LYS 103 Cb 0.17 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.44 2qio s LYS 103 CO 0.03 -0.45 0.00 0.41 0.10 0.00 0.00 175.35 175.44 2qio n GLY 104 N -0.16 0.92 3.81 0.59 0.00 -1.26 -4.76 105.19 104.33 2qio n GLY 104 Ca -0.17 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 2qio n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qio s GLU 105 N 0.00 3.52 0.37 1.61 2.02 -1.26 -4.84 118.70 120.12 2qio s GLU 105 Ca 0.00 -0.21 0.07 0.00 0.02 0.00 0.00 54.97 54.85 2qio s GLU 105 Cb 0.00 -3.16 0.77 0.00 0.10 0.00 0.00 34.13 31.84 2qio s GLU 105 CO 0.00 0.65 1.96 0.35 0.02 0.00 0.00 175.26 178.25 2qio h PHE 106 N 5.40 0.72 0.00 1.61 3.57 -1.88 -2.12 116.94 124.24 2qio h PHE 106 Ca -0.51 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.01 2qio h PHE 106 Cb 1.21 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2qio h PHE 106 CO 0.70 0.38 0.05 -0.24 -2.23 0.00 0.00 178.31 176.96 2qio h VAL 107 N 0.71 0.00 -0.18 1.41 3.04 -1.98 -1.30 116.25 117.95 2qio h VAL 107 Ca 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.99 2qio h VAL 107 Cb 0.27 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 2qio h VAL 107 CO -0.10 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 176.93 2qio n ASP 108 N -2.41 2.57 -4.71 3.17 8.00 -0.80 -4.94 116.55 117.42 2qio n ASP 108 Ca -0.02 -1.84 -0.43 0.00 0.71 0.00 0.00 54.79 53.21 2qio n ASP 108 Cb 0.08 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 2qio n ASP 108 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2qio n THR 109 N 0.94 0.49 -2.03 -3.53 -1.04 -0.49 -4.97 114.28 103.65 2qio n THR 109 Ca 0.17 -0.12 -0.31 0.00 -2.04 0.00 0.00 64.05 61.75 2qio n THR 109 Cb 0.49 -1.84 -0.00 0.00 -1.82 0.00 0.00 70.33 67.16 2qio n THR 109 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2qio s SER 110 N 0.78 6.30 0.15 8.00 1.04 -1.26 -4.87 113.70 123.83 2qio s SER 110 Ca 0.71 1.49 -0.16 0.00 0.48 0.00 0.00 55.95 58.47 2qio s SER 110 Cb -0.55 -2.49 0.07 0.00 0.10 0.00 0.00 66.02 63.15 2qio s SER 110 CO 0.41 -0.82 1.73 -0.09 0.98 0.00 0.00 173.24 175.45 2qio h ARG 111 N 0.09 0.19 -0.37 4.02 2.43 -1.99 0.63 114.38 119.38 2qio h ARG 111 Ca -0.45 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 58.63 2qio h ARG 111 Cb 1.19 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 2qio h ARG 111 CO 0.61 0.13 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.67 2qio h ASP 112 N 0.20 0.62 -0.64 -3.80 3.32 -1.98 -0.02 116.42 114.12 2qio h ASP 112 Ca 0.16 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2qio h ASP 112 Cb 0.18 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 2qio h ASP 112 CO -0.21 0.75 0.11 1.23 -1.72 0.00 0.00 179.24 179.40 2qio h GLY 113 N 0.95 1.15 0.91 2.75 0.00 -1.69 -1.23 103.07 105.91 2qio h GLY 113 Ca 0.11 -0.75 -0.12 0.00 0.00 0.00 0.00 47.33 46.57 2qio h GLY 113 CO 0.03 0.69 -0.33 -2.75 0.00 0.00 0.00 176.54 174.18 2qio h PHE 114 N 1.00 0.74 -0.01 5.60 3.04 -0.25 -2.55 116.94 124.51 2qio h PHE 114 Ca 0.20 -0.25 -0.10 0.00 3.98 0.00 0.00 57.97 61.80 2qio h PHE 114 Cb 0.42 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 2qio h PHE 114 CO 0.03 0.99 -0.47 -0.07 -2.02 0.00 0.00 178.31 176.76 2qio h LEU 115 N 0.28 0.03 -0.26 0.59 3.38 -1.00 -1.88 115.31 116.44 2qio h LEU 115 Ca 0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2qio h LEU 115 Cb 0.91 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2qio h LEU 115 CO 0.08 0.50 0.01 0.25 0.09 0.00 0.00 178.44 179.36 2qio h LEU 116 N 0.02 0.45 -0.47 1.67 6.46 -1.17 0.29 115.31 122.56 2qio h LEU 116 Ca -0.00 -0.30 -0.02 0.00 -0.12 0.00 0.00 57.88 57.44 2qio h LEU 116 Cb 0.84 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 2qio h LEU 116 CO 0.06 0.64 0.22 0.00 -0.62 0.00 0.00 178.44 178.74 2qio h ALA 117 N 0.82 0.60 -0.43 1.25 0.00 -1.23 -1.13 119.26 119.15 2qio h ALA 117 Ca 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2qio h ALA 117 Cb 0.41 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2qio h ALA 117 CO 0.01 0.17 0.11 1.96 0.00 0.00 0.00 179.25 181.50 2qio h GLN 118 N 0.61 0.69 0.82 0.00 1.08 -1.18 0.14 115.11 117.26 2qio h GLN 118 Ca 0.16 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2qio h GLN 118 Cb 0.13 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2qio h GLN 118 CO -0.02 0.69 -0.39 -0.97 -0.95 0.00 0.00 178.83 177.19 2qio h ASN 119 N 0.56 -0.93 -0.28 1.46 -1.24 -0.20 0.13 115.58 115.09 2qio h ASN 119 Ca 0.14 0.03 -0.12 0.00 0.71 0.00 0.00 56.30 57.06 2qio h ASN 119 Cb 0.31 0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.59 2qio h ASN 119 CO 0.00 -0.65 -0.28 0.40 -1.29 0.00 0.00 177.43 175.61 2qio h ILE 120 N -1.12 1.30 0.00 2.57 2.04 -1.26 -2.05 117.51 119.00 2qio h ILE 120 Ca -0.11 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.28 2qio h ILE 120 Cb 0.84 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 2qio h ILE 120 CO 0.18 0.46 -0.62 0.28 0.00 0.00 0.00 178.15 178.46 2qio h SER 121 N 0.42 0.00 0.00 1.72 0.02 -0.82 -3.38 113.55 111.51 2qio h SER 121 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2qio h SER 121 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2qio h SER 121 CO 0.07 0.05 -0.18 0.00 -1.14 0.00 0.00 176.83 175.63 2qio n ALA 122 N -2.16 3.00 -0.31 3.77 0.00 -0.60 -4.75 120.51 119.46 2qio n ALA 122 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.47 2qio n ALA 122 Cb 0.57 0.25 0.16 0.00 0.00 0.00 0.00 19.45 20.43 2qio n ALA 122 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2qio h PHE 123 N 0.00 0.95 -0.55 0.00 3.57 -0.73 -1.37 116.94 118.81 2qio h PHE 123 Ca 0.00 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.69 2qio h PHE 123 Cb 0.18 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2qio h PHE 123 CO 0.00 0.44 0.59 0.66 -2.23 0.00 0.00 178.31 177.77 2qio h SER 124 N 0.91 0.00 -0.15 0.41 4.64 -1.55 0.23 113.55 118.05 2qio h SER 124 Ca 0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.70 2qio h SER 124 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2qio h SER 124 CO -0.21 0.00 0.04 0.25 -0.87 0.00 0.00 176.83 176.04 2qio h LEU 125 N 0.00 0.22 -0.32 5.97 6.46 -1.54 -1.68 115.31 124.41 2qio h LEU 125 Ca 0.26 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 2qio h LEU 125 Cb 1.44 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.30 2qio h LEU 125 CO -0.00 0.40 0.07 0.74 -0.62 0.00 0.00 178.44 179.03 2qio h THR 126 N 0.04 1.22 -0.88 1.05 2.02 -0.69 0.72 112.91 116.39 2qio h THR 126 Ca 0.05 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 2qio h THR 126 Cb 0.26 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 2qio h THR 126 CO 0.00 0.25 0.53 0.00 0.37 0.00 0.00 175.52 176.67 2qio h ALA 127 N 0.91 1.12 -0.33 6.16 0.00 -1.32 -0.35 119.26 125.46 2qio h ALA 127 Ca 0.10 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2qio h ALA 127 Cb 0.30 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2qio h ALA 127 CO 0.00 0.58 -0.12 0.28 0.00 0.00 0.00 179.25 180.00 2qio h VAL 128 N 1.21 1.28 -0.85 0.00 2.07 -1.13 -2.95 116.25 115.89 2qio h VAL 128 Ca 0.32 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.68 2qio h VAL 128 Cb -0.05 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 2qio h VAL 128 CO -0.06 0.39 0.54 0.00 0.02 0.00 0.00 177.57 178.46 2qio h ALA 129 N 0.79 1.14 -0.75 1.67 0.00 -0.43 0.12 119.26 121.79 2qio h ALA 129 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2qio h ALA 129 Cb 0.63 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2qio h ALA 129 CO 0.04 0.35 0.44 -0.09 0.00 0.00 0.00 179.25 179.99 2qio h ARG 130 N 1.03 1.03 0.04 0.00 2.43 -0.97 0.22 114.38 118.16 2qio h ARG 130 Ca 0.35 -0.10 -0.25 0.00 -0.81 0.00 0.00 59.98 59.17 2qio h ARG 130 Cb 0.06 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2qio h ARG 130 CO -0.14 0.74 -1.04 0.93 -1.51 0.00 0.00 179.97 178.96 2qio h GLU 131 N 1.03 0.42 -0.05 0.20 4.39 -1.29 -3.22 114.58 116.07 2qio h GLU 131 Ca 0.27 -0.51 -0.08 0.00 0.34 0.00 0.00 59.36 59.38 2qio h GLU 131 Cb -0.02 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2qio h GLU 131 CO -0.05 1.17 -0.33 0.00 -1.16 0.00 0.00 179.01 178.64 2qio h ALA 132 N 0.64 1.36 -0.63 3.43 0.00 -0.40 -2.33 119.26 121.34 2qio h ALA 132 Ca -0.10 -0.32 0.11 0.00 0.00 0.00 0.00 54.91 54.59 2qio h ALA 132 Cb 1.69 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 2qio h ALA 132 CO 0.18 0.46 0.42 -0.22 0.00 0.00 0.00 179.25 180.09 2qio h LYS 133 N 0.08 0.36 -0.32 0.00 3.64 -0.58 -0.55 116.57 119.20 2qio h LYS 133 Ca 0.01 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 2qio h LYS 133 Cb 0.63 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2qio h LYS 133 CO 0.05 0.24 -0.30 0.87 -2.27 0.00 0.00 179.45 178.04 2qio h LYS 134 N 0.37 0.68 -0.00 1.90 1.57 -1.53 -3.29 116.57 116.28 2qio h LYS 134 Ca 0.29 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2qio h LYS 134 Cb 0.65 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2qio h LYS 134 CO -0.08 0.90 -0.97 1.33 -0.57 0.00 0.00 179.45 180.06 2qio n VAL 135 N -4.08 0.00 -1.86 0.50 0.24 -0.86 -4.46 118.33 107.81 2qio n VAL 135 Ca -0.01 -0.01 -0.38 0.00 -2.04 0.00 0.00 64.34 61.90 2qio n VAL 135 Cb 0.47 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.82 2qio n VAL 135 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2qio n MET 136 N -1.48 4.20 0.11 7.34 2.81 -0.27 -2.11 117.12 127.72 2qio n MET 136 Ca 0.04 -3.18 0.08 0.00 -1.81 0.00 0.00 57.70 52.84 2qio n MET 136 Cb 0.32 -2.57 0.43 0.00 -0.71 0.00 0.00 33.22 30.70 2qio n MET 136 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2qio n THR 137 N 1.75 1.24 -1.16 2.03 -2.24 -1.26 -1.15 114.28 113.48 2qio n THR 137 Ca 0.62 0.60 0.07 0.00 -2.27 0.00 0.00 64.05 63.07 2qio n THR 137 Cb 0.30 -1.58 0.20 0.00 -2.10 0.00 0.00 70.33 67.14 2qio n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qio n GLU 138 N -2.05 1.98 0.00 -0.78 1.02 -1.26 -5.10 120.64 114.45 2qio n GLU 138 Ca -0.00 -2.85 0.00 0.00 -0.02 0.00 0.00 57.16 54.29 2qio n GLU 138 Cb 0.06 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 2qio n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qio n GLY 139 N -1.03 -1.09 0.00 0.62 0.00 -0.30 -5.04 105.19 98.35 2qio n GLY 139 Ca 0.21 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2qio n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qio n GLY 140 N 0.00 0.72 3.18 -0.02 0.00 -0.64 -4.67 105.19 103.76 2qio n GLY 140 Ca 0.00 -1.71 -0.24 0.00 0.00 0.00 0.00 46.02 44.07 2qio n GLY 140 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qio s ASN 141 N -4.00 2.10 -0.11 1.61 2.47 -1.03 0.03 114.94 116.00 2qio s ASN 141 Ca 0.00 -0.38 0.02 0.00 0.42 0.00 0.00 52.86 52.92 2qio s ASN 141 Cb 0.00 -0.21 -0.01 0.00 -1.45 0.00 0.00 41.25 39.58 2qio s ASN 141 CO 0.00 0.18 -0.19 -0.63 -3.72 0.00 0.00 177.10 172.75 2qio s ILE 142 N -0.55 2.54 0.15 -5.21 1.01 0.35 -2.47 121.20 117.03 2qio s ILE 142 Ca 0.06 -0.84 0.10 0.00 0.00 0.00 0.00 60.65 59.97 2qio s ILE 142 Cb -0.07 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 2qio s ILE 142 CO 0.00 0.54 -0.22 -0.22 0.00 0.00 0.00 174.94 175.04 2qio s LEU 143 N 0.35 2.51 0.07 2.97 2.96 0.38 -0.97 118.68 126.93 2qio s LEU 143 Ca -0.15 -0.73 -0.05 0.00 -0.22 0.00 0.00 54.13 52.99 2qio s LEU 143 Cb -0.17 -1.32 -0.02 0.00 0.50 0.00 0.00 46.19 45.18 2qio s LEU 143 CO 0.07 0.15 0.07 0.28 -1.32 0.00 0.00 176.35 175.61 2qio s THR 144 N -1.34 0.18 -0.17 3.68 -1.32 -0.72 0.08 115.64 116.03 2qio s THR 144 Ca 0.18 -1.51 -0.03 0.00 -1.21 0.00 0.00 61.69 59.12 2qio s THR 144 Cb -0.09 -1.42 -0.02 0.00 -1.51 0.00 0.00 72.50 69.46 2qio s THR 144 CO 0.09 -0.83 -0.05 -0.76 -2.21 0.00 0.00 174.62 170.86 2qio s LEU 145 N -2.87 3.10 0.00 9.08 1.43 -1.10 -1.07 118.68 127.25 2qio s LEU 145 Ca 0.06 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2qio s LEU 145 Cb 0.06 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.53 2qio s LEU 145 CO -0.10 0.12 0.02 1.07 0.23 0.00 0.00 176.35 177.68 2qio n THR 146 N 3.88 0.00 -3.79 5.49 5.66 0.11 -4.92 114.28 120.72 2qio n THR 146 Ca -0.18 -0.69 -0.13 0.00 -3.05 0.00 0.00 64.05 60.01 2qio n THR 146 Cb 0.52 0.18 -0.09 0.00 -1.55 0.00 0.00 70.33 69.39 2qio n THR 146 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 2qio s TYR 147 N -1.69 -0.12 0.50 1.09 5.04 -1.26 -2.48 117.35 118.44 2qio s TYR 147 Ca 0.02 0.15 0.34 0.00 -2.44 0.00 0.00 57.07 55.13 2qio s TYR 147 Cb 0.00 0.06 1.47 0.00 0.35 0.00 0.00 41.96 43.83 2qio s TYR 147 CO 0.02 -0.36 1.75 1.25 -1.34 0.00 0.00 175.55 176.86 2qio h LEU 148 N 3.96 0.12 -1.69 6.97 5.85 -1.91 0.20 115.31 128.82 2qio h LEU 148 Ca -0.30 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2qio h LEU 148 Cb 1.18 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2qio h LEU 148 CO 0.40 -0.00 0.16 1.23 -0.34 0.00 0.00 178.44 179.89 2qio h GLY 149 N 0.09 0.00 1.56 3.75 0.00 -1.94 0.25 103.07 106.78 2qio h GLY 149 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.97 2qio h GLY 149 CO -0.11 0.00 -0.37 -1.33 0.00 0.00 0.00 176.54 174.72 2qio h GLY 150 N 0.00 0.00 0.00 4.60 0.00 -0.73 -3.36 103.07 103.58 2qio h GLY 150 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 2qio h GLY 150 CO 0.00 0.00 -2.43 1.18 0.00 0.00 0.00 176.54 175.29 2qio n GLU 151 N -2.46 0.65 -4.09 4.80 1.02 0.76 -4.00 120.64 117.33 2qio n GLU 151 Ca 0.04 0.13 -0.09 0.00 -0.02 0.00 0.00 57.16 57.22 2qio n GLU 151 Cb 0.47 -1.51 -0.10 0.00 -0.02 0.00 0.00 31.44 30.29 2qio n GLU 151 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2qio s ARG 152 N -2.50 0.82 -0.12 3.49 0.52 -0.50 -5.11 118.95 115.54 2qio s ARG 152 Ca -0.31 -1.30 -0.29 0.00 -0.52 0.00 0.00 55.73 53.30 2qio s ARG 152 Cb 0.08 0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.76 2qio s ARG 152 CO 0.61 -0.22 1.56 0.08 0.02 0.00 0.00 175.30 177.36 2qio s VAL 153 N -3.98 3.76 -0.12 3.52 1.01 -1.26 -3.99 120.40 119.34 2qio s VAL 153 Ca 0.16 0.91 -0.01 0.00 0.00 0.00 0.00 61.98 63.04 2qio s VAL 153 Cb 0.07 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2qio s VAL 153 CO -0.04 -0.13 -0.10 -0.69 0.00 0.00 0.00 175.10 174.14 2qio s VAL 154 N 4.21 3.39 0.09 2.92 1.01 -1.26 -5.02 120.40 125.74 2qio s VAL 154 Ca 0.69 -0.55 -0.35 0.00 0.00 0.00 0.00 61.98 61.77 2qio s VAL 154 Cb -0.29 -2.43 -0.14 0.00 0.00 0.00 0.00 36.38 33.52 2qio s VAL 154 CO 0.26 0.54 1.58 1.17 0.00 0.00 0.00 175.10 178.65 2qio n LYS 155 N 3.17 1.89 -0.86 2.72 4.81 -1.26 -1.53 118.16 127.10 2qio n LYS 155 Ca -0.18 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 2qio n LYS 155 Cb 0.53 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.14 2qio n LYS 155 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2qio n ASN 156 N 3.80 -2.07 0.09 3.14 3.02 -1.26 -4.83 115.26 117.15 2qio n ASN 156 Ca 0.19 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.70 2qio n ASN 156 Cb 0.26 -1.64 -0.06 0.00 -0.61 0.00 0.00 39.78 37.73 2qio n ASN 156 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2qio h TYR 157 N 0.00 0.00 0.00 3.10 3.20 -1.55 -3.37 116.97 118.35 2qio h TYR 157 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2qio h TYR 157 Cb 0.23 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2qio h TYR 157 CO 0.15 0.79 0.00 0.09 -1.64 0.00 0.00 178.16 177.55 2qio n ASN 158 N -3.28 0.00 0.30 -2.11 3.02 -1.26 0.03 115.26 111.96 2qio n ASN 158 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.73 2qio n ASN 158 Cb 0.86 0.00 0.95 0.00 -0.61 0.00 0.00 39.78 40.98 2qio n ASN 158 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2qio h VAL 159 N 0.00 0.24 -0.08 2.41 3.04 -1.90 -0.24 116.25 119.72 2qio h VAL 159 Ca 0.00 -0.23 -0.18 0.00 -1.01 0.00 0.00 66.70 65.28 2qio h VAL 159 Cb 0.00 1.18 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 2qio h VAL 159 CO 0.00 0.03 -0.70 -0.03 -1.01 0.00 0.00 177.57 175.86 2qio h MET 160 N 0.00 0.39 -0.73 4.17 1.85 -0.76 -1.73 114.93 118.12 2qio h MET 160 Ca -0.00 -0.31 -0.03 0.00 -0.61 0.00 0.00 59.70 58.76 2qio h MET 160 Cb 0.18 0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.23 2qio h MET 160 CO 0.00 0.94 0.35 0.78 -0.40 0.00 0.00 176.91 178.58 2qio h GLY 161 N 1.31 1.13 1.20 1.39 0.00 -0.84 0.21 103.07 107.46 2qio h GLY 161 Ca -0.02 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.65 2qio h GLY 161 CO 0.12 0.53 -0.01 -2.08 0.00 0.00 0.00 176.54 175.10 2qio h VAL 162 N 1.02 1.26 -0.43 4.60 2.07 -1.37 -1.15 116.25 122.25 2qio h VAL 162 Ca 0.25 -1.12 -0.11 0.00 0.82 0.00 0.00 66.70 66.54 2qio h VAL 162 Cb 0.13 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2qio h VAL 162 CO -0.03 0.40 -0.16 0.00 0.02 0.00 0.00 177.57 177.80 2qio h ALA 163 N 1.09 0.92 -0.17 1.67 0.00 -0.76 -2.37 119.26 119.64 2qio h ALA 163 Ca 0.16 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2qio h ALA 163 Cb 0.54 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2qio h ALA 163 CO 0.03 0.62 -0.44 0.87 0.00 0.00 0.00 179.25 180.33 2qio h LYS 164 N 0.72 0.42 -0.58 0.00 1.79 -0.17 0.13 116.57 118.87 2qio h LYS 164 Ca 0.11 -0.22 0.01 0.00 -2.18 0.00 0.00 60.65 58.37 2qio h LYS 164 Cb 0.66 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.29 2qio h LYS 164 CO 0.05 0.78 0.38 0.00 -1.08 0.00 0.00 179.45 179.58 2qio h ALA 165 N 1.19 0.74 -0.37 3.86 0.00 -1.04 0.49 119.26 124.13 2qio h ALA 165 Ca 0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2qio h ALA 165 Cb 0.91 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2qio h ALA 165 CO 0.08 0.15 -0.08 1.03 0.00 0.00 0.00 179.25 180.43 2qio h SER 166 N 0.77 0.61 -0.35 0.00 0.87 -1.18 0.05 113.55 114.32 2qio h SER 166 Ca 0.22 -0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 2qio h SER 166 Cb -0.07 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 2qio h SER 166 CO -0.06 0.73 -0.18 0.25 -0.53 0.00 0.00 176.83 177.04 2qio h LEU 167 N 0.58 0.77 -0.89 2.23 5.85 0.35 -0.52 115.31 123.69 2qio h LEU 167 Ca 0.11 -0.41 -0.11 0.00 0.84 0.00 0.00 57.88 58.31 2qio h LEU 167 Cb 0.49 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2qio h LEU 167 CO 0.03 1.01 -0.38 -0.33 -0.34 0.00 0.00 178.44 178.43 2qio h GLU 168 N 0.53 0.35 -0.06 1.25 5.08 0.22 -1.32 114.58 120.63 2qio h GLU 168 Ca 0.08 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 2qio h GLU 168 Cb 0.73 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2qio h GLU 168 CO 0.05 0.68 -0.66 0.00 -1.00 0.00 0.00 179.01 178.09 2qio h ALA 169 N 1.31 0.76 -0.83 3.43 0.00 -0.83 -2.91 119.26 120.19 2qio h ALA 169 Ca 0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2qio h ALA 169 Cb 0.81 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2qio h ALA 169 CO 0.06 0.76 0.43 0.77 0.00 0.00 0.00 179.25 181.28 2qio h SER 170 N 0.19 1.05 -0.98 0.00 0.02 -0.55 -1.07 113.55 112.21 2qio h SER 170 Ca -0.01 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 2qio h SER 170 Cb 1.19 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 63.41 2qio h SER 170 CO 0.10 0.86 0.64 0.58 -1.14 0.00 0.00 176.83 177.88 2qio h VAL 171 N 1.16 1.16 -0.04 2.27 2.07 -1.09 0.35 116.25 122.12 2qio h VAL 171 Ca 0.29 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2qio h VAL 171 Cb 0.07 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.66 2qio h VAL 171 CO -0.04 0.22 -0.04 0.11 0.02 0.00 0.00 177.57 177.84 2qio h LYS 172 N 1.23 0.10 -0.34 1.57 1.57 -1.15 0.15 116.57 119.70 2qio h LYS 172 Ca 0.39 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 59.04 2qio h LYS 172 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2qio h LYS 172 CO -0.12 0.54 -0.13 1.88 -0.57 0.00 0.00 179.45 181.05 2qio h TYR 173 N -0.34 0.65 -0.33 -1.35 0.05 -0.86 -1.36 116.97 113.43 2qio h TYR 173 Ca 0.01 -0.11 -0.14 0.00 0.05 0.00 0.00 58.73 58.54 2qio h TYR 173 Cb 0.52 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 2qio h TYR 173 CO 0.09 0.70 -0.35 -0.07 -1.05 0.00 0.00 178.16 177.47 2qio h LEU 174 N 0.54 0.78 -1.15 3.88 3.38 -0.28 -1.20 115.31 121.25 2qio h LEU 174 Ca 0.10 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2qio h LEU 174 Cb 0.54 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2qio h LEU 174 CO 0.03 1.06 0.16 0.00 0.09 0.00 0.00 178.44 179.78 2qio h ALA 175 N 0.98 1.32 -0.36 1.53 0.00 -0.50 0.10 119.26 122.33 2qio h ALA 175 Ca 0.06 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2qio h ALA 175 Cb 0.89 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2qio h ALA 175 CO 0.08 0.49 -0.17 -0.97 0.00 0.00 0.00 179.25 178.68 2qio h ASN 176 N 0.74 0.66 0.05 0.00 -1.24 -0.80 -2.16 115.58 112.84 2qio h ASN 176 Ca 0.17 -0.21 -0.00 0.00 0.71 0.00 0.00 56.30 56.97 2qio h ASN 176 Cb 0.22 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.09 2qio h ASN 176 CO -0.01 0.84 -0.02 0.44 -1.29 0.00 0.00 177.43 177.39 2qio h ASP 177 N 0.60 -0.05 1.52 1.15 3.32 -0.45 -3.39 116.42 119.11 2qio h ASP 177 Ca 0.10 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2qio h ASP 177 Cb 0.62 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2qio h ASP 177 CO 0.04 0.66 0.00 -0.07 -1.72 0.00 0.00 179.24 178.16 2qio h LEU 178 N -0.85 0.00 -0.72 1.55 3.38 -0.86 -3.35 115.31 114.46 2qio h LEU 178 Ca -0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 2qio h LEU 178 Cb 0.66 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 2qio h LEU 178 CO 0.01 0.00 0.41 1.23 0.09 0.00 0.00 178.44 180.18 2qio h GLY 179 N 3.77 1.07 1.49 0.83 0.00 -1.17 0.77 103.07 109.82 2qio h GLY 179 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2qio h GLY 179 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 176.54 177.31 2qio n GLN 180 N -4.76 0.25 -0.35 4.80 10.64 -1.26 -0.59 117.38 126.11 2qio n GLN 180 Ca 0.10 0.13 0.07 0.00 -1.83 0.00 0.00 57.00 55.47 2qio n GLN 180 Cb 0.19 -1.50 0.23 0.00 -0.86 0.00 0.00 30.24 28.30 2qio n GLN 180 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2qio n HIS 181 N -1.24 0.81 -1.26 2.61 8.25 0.08 -4.95 115.22 119.52 2qio n HIS 181 Ca 0.08 -0.66 -0.09 0.00 -0.26 0.00 0.00 57.72 56.79 2qio n HIS 181 Cb 0.11 -0.17 -0.04 0.00 1.12 0.00 0.00 29.99 31.01 2qio n HIS 181 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qio n GLY 182 N 0.22 1.05 3.28 -1.41 0.00 0.24 -4.54 105.19 104.04 2qio n GLY 182 Ca 0.18 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 2qio n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qio s ILE 183 N -2.31 2.79 0.16 -0.61 1.01 -0.15 -1.62 121.20 120.46 2qio s ILE 183 Ca 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 2qio s ILE 183 Cb 0.00 -2.19 -0.06 0.00 0.01 0.00 0.00 42.46 40.22 2qio s ILE 183 CO 0.00 0.51 0.42 -0.13 0.00 0.00 0.00 174.94 175.74 2qio s ARG 184 N 0.84 3.67 -0.07 2.79 0.52 0.10 -2.71 118.95 124.10 2qio s ARG 184 Ca -0.04 0.02 -0.01 0.00 -0.52 0.00 0.00 55.73 55.18 2qio s ARG 184 Cb -0.15 -2.81 0.03 0.00 0.52 0.00 0.00 34.95 32.54 2qio s ARG 184 CO -0.00 0.44 -0.02 0.08 0.02 0.00 0.00 175.30 175.81 2qio s VAL 185 N -1.68 0.52 0.11 3.52 1.01 -1.26 -0.50 120.40 122.13 2qio s VAL 185 Ca 0.42 -0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 2qio s VAL 185 Cb -0.12 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2qio s VAL 185 CO 0.23 0.27 0.02 0.20 0.00 0.00 0.00 175.10 175.82 2qio s ASN 186 N 1.69 0.50 0.19 3.32 0.01 -0.14 0.84 114.94 121.34 2qio s ASN 186 Ca 0.01 -1.13 0.08 0.00 -0.71 0.00 0.00 52.86 51.12 2qio s ASN 186 Cb -0.13 0.24 -0.04 0.00 0.41 0.00 0.00 41.25 41.73 2qio s ASN 186 CO -0.05 -0.66 -0.16 0.00 -1.51 0.00 0.00 177.10 174.72 2qio s ALA 187 N -3.95 2.04 -0.12 0.60 0.00 -0.33 -1.76 121.76 118.24 2qio s ALA 187 Ca 0.18 -1.58 0.01 0.00 0.00 0.00 0.00 51.96 50.57 2qio s ALA 187 Cb 0.07 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.07 2qio s ALA 187 CO -0.02 0.16 -0.15 0.42 0.00 0.00 0.00 175.76 176.17 2qio s ILE 188 N -2.49 1.51 -0.49 0.00 1.01 -0.23 -1.88 121.20 118.62 2qio s ILE 188 Ca 0.19 -0.64 -0.15 0.00 0.00 0.00 0.00 60.65 60.06 2qio s ILE 188 Cb -0.03 -1.39 0.10 0.00 0.01 0.00 0.00 42.46 41.14 2qio s ILE 188 CO 0.07 0.44 0.42 -0.55 0.00 0.00 0.00 174.94 175.33 2qio s SER 189 N 1.10 6.10 0.29 3.58 0.15 0.11 0.08 113.70 125.12 2qio s SER 189 Ca -0.04 -1.54 -0.12 0.00 0.70 0.00 0.00 55.95 54.94 2qio s SER 189 Cb -0.14 -2.17 -0.08 0.00 -1.71 0.00 0.00 66.02 61.92 2qio s SER 189 CO -0.04 -0.72 0.66 0.00 1.20 0.00 0.00 173.24 174.34 2qio s ALA 190 N 1.59 3.43 0.80 5.45 0.00 -1.03 -0.89 121.76 131.10 2qio s ALA 190 Ca 0.04 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 2qio s ALA 190 Cb -0.26 -2.62 0.08 0.00 0.00 0.00 0.00 23.12 20.32 2qio s ALA 190 CO 0.05 0.37 1.16 0.20 0.00 0.00 0.00 175.76 177.53 2qio s GLY 191 N -2.42 1.61 0.30 0.00 0.00 -0.87 -4.56 107.32 101.39 2qio s GLY 191 Ca 0.51 -0.72 -0.30 0.00 0.00 0.00 0.00 44.72 44.21 2qio s GLY 191 CO 0.20 -0.23 1.48 -1.55 0.00 0.00 0.00 173.10 173.00 2qio n PRO 192 N -3.27 2.43 -3.93 2.90 -0.04 -1.26 -4.82 135.00 127.00 2qio n PRO 192 Ca 0.08 0.86 -0.15 0.00 -0.04 0.00 0.00 63.50 64.26 2qio n PRO 192 Cb 0.61 -2.57 -0.15 0.00 -0.04 0.00 0.00 33.50 31.35 2qio n PRO 192 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2qio s ILE 193 N -0.37 0.12 -0.38 0.52 1.01 -1.26 -4.16 121.20 116.69 2qio s ILE 193 Ca 0.62 0.01 -0.28 0.00 0.00 0.00 0.00 60.65 61.00 2qio s ILE 193 Cb -0.55 -0.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 2qio s ILE 193 CO 0.53 0.08 1.81 -0.60 0.00 0.00 0.00 174.94 176.76 2qio s ARG 194 N 0.41 3.21 0.31 2.79 3.52 -1.26 -4.74 118.95 123.18 2qio s ARG 194 Ca -0.04 1.30 0.04 0.00 -0.13 0.00 0.00 55.73 56.90 2qio s ARG 194 Cb -0.06 -4.23 -0.03 0.00 -1.56 0.00 0.00 34.95 29.06 2qio s ARG 194 CO -0.01 -2.01 0.18 0.95 -0.81 0.00 0.00 175.30 173.60 2qio s THR 195 N 7.30 0.25 0.28 4.11 -4.23 -1.26 -4.90 115.64 117.18 2qio s THR 195 Ca 0.78 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 2qio s THR 195 Cb -0.21 -2.49 0.27 0.00 1.34 0.00 0.00 72.50 71.41 2qio s THR 195 CO 0.31 0.00 1.80 -0.07 -0.54 0.00 0.00 174.62 176.12 2qio h LEU 196 N 2.19 0.76 -0.00 4.79 3.38 -1.93 -1.96 115.31 122.54 2qio h LEU 196 Ca -0.32 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 2qio h LEU 196 Cb 1.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2qio h LEU 196 CO 0.49 0.35 -0.21 0.28 0.09 0.00 0.00 178.44 179.44 2qio h SER 197 N 0.82 0.00 -0.04 -0.43 0.02 -1.96 -3.23 113.55 108.72 2qio h SER 197 Ca 0.50 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.46 2qio h SER 197 Cb 0.62 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 2qio h SER 197 CO -0.32 0.21 0.19 0.00 -1.14 0.00 0.00 176.83 175.77 2qio h ALA 198 N 1.79 1.32 0.00 3.77 0.00 -1.64 -0.41 119.26 124.09 2qio h ALA 198 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qio h ALA 198 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2qio h ALA 198 CO 0.03 -0.21 0.00 1.63 0.00 0.00 0.00 179.25 180.70 2qio n LYS 199 N -3.16 0.17 0.00 0.00 5.02 -1.22 -1.91 118.16 117.06 2qio n LYS 199 Ca -0.01 0.56 0.13 0.00 -2.02 0.00 0.00 58.31 56.97 2qio n LYS 199 Cb 0.26 -1.94 0.40 0.00 -0.02 0.00 0.00 35.03 33.73 2qio n LYS 199 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qio n GLY 200 N -0.78 -0.82 3.53 0.72 0.00 -0.16 -4.79 105.19 102.87 2qio n GLY 200 Ca -0.00 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 2qio n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qio s VAL 201 N -2.61 4.21 0.33 1.61 1.01 -0.80 -4.80 120.40 119.35 2qio s VAL 201 Ca 0.22 -0.24 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 2qio s VAL 201 Cb 0.19 -2.88 -0.10 0.00 0.00 0.00 0.00 36.38 33.59 2qio s VAL 201 CO 0.55 0.46 1.24 -0.83 0.00 0.00 0.00 175.10 176.52 2qio s GLY 202 N 0.58 3.00 -1.33 4.51 0.00 -1.26 -3.92 107.32 108.90 2qio s GLY 202 Ca -0.00 1.15 -0.02 0.00 0.00 0.00 0.00 44.72 45.84 2qio s GLY 202 CO 0.02 1.77 0.81 1.22 0.00 0.00 0.00 173.10 176.92 2qio n ASP 203 N 0.77 -2.08 -0.25 1.64 8.00 -1.26 -4.87 116.55 118.49 2qio n ASP 203 Ca 0.00 -0.77 0.01 0.00 0.71 0.00 0.00 54.79 54.75 2qio n ASP 203 Cb 0.43 -4.24 0.14 0.00 -0.02 0.00 0.00 41.12 37.42 2qio n ASP 203 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2qio h PHE 204 N -1.95 0.65 -0.99 1.24 3.57 -1.90 -1.62 116.94 115.94 2qio h PHE 204 Ca -0.60 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.06 2qio h PHE 204 Cb 1.36 -0.18 -0.09 0.00 2.79 0.00 0.00 35.95 39.83 2qio h PHE 204 CO 0.48 0.24 0.61 -0.91 -2.23 0.00 0.00 178.31 176.50 2qio h ASN 205 N 0.62 0.87 1.13 0.41 2.35 -1.94 -0.28 115.58 118.73 2qio h ASN 205 Ca 0.35 0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 56.06 2qio h ASN 205 Cb 0.36 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2qio h ASN 205 CO -0.26 0.43 -0.47 0.77 -1.65 0.00 0.00 177.43 176.25 2qio h SER 206 N 0.92 0.00 -0.37 5.81 4.64 -1.69 -2.61 113.55 120.26 2qio h SER 206 Ca 0.51 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.70 2qio h SER 206 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2qio h SER 206 CO -0.29 0.47 -0.28 0.40 -0.87 0.00 0.00 176.83 176.26 2qio h ILE 207 N 0.00 1.28 -0.37 0.95 2.04 -0.57 -2.21 117.51 118.63 2qio h ILE 207 Ca -0.00 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.40 2qio h ILE 207 Cb 1.16 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 2qio h ILE 207 CO 0.06 0.47 0.15 -0.07 0.00 0.00 0.00 178.15 178.76 2qio h LEU 208 N 0.63 0.51 -1.56 1.44 3.38 -1.13 -1.76 115.31 116.81 2qio h LEU 208 Ca 0.07 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2qio h LEU 208 Cb 0.85 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2qio h LEU 208 CO 0.07 0.53 -0.03 0.03 0.09 0.00 0.00 178.44 179.14 2qio h ARG 209 N 0.45 0.24 -0.57 1.13 3.08 -1.44 -0.53 114.38 116.74 2qio h ARG 209 Ca 0.12 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 2qio h ARG 209 Cb 0.18 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2qio h ARG 209 CO -0.01 0.29 0.02 1.49 -1.07 0.00 0.00 179.97 180.69 2qio h GLU 210 N 0.24 1.00 -0.39 0.04 4.57 -0.95 -0.78 114.58 118.31 2qio h GLU 210 Ca 0.05 -0.31 -0.04 0.00 -1.18 0.00 0.00 59.36 57.89 2qio h GLU 210 Cb 0.22 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 2qio h GLU 210 CO 0.01 0.98 0.08 0.82 -1.18 0.00 0.00 179.01 179.71 2qio h ILE 211 N 0.88 1.24 -0.86 2.32 1.08 -0.42 0.23 117.51 121.99 2qio h ILE 211 Ca 0.16 -0.83 -0.02 0.00 -0.39 0.00 0.00 64.86 63.78 2qio h ILE 211 Cb 0.52 1.03 -0.04 0.00 -3.07 0.00 0.00 36.82 35.26 2qio h ILE 211 CO 0.03 0.28 0.45 -0.33 -0.69 0.00 0.00 178.15 177.89 2qio h GLU 212 N 0.49 1.21 -0.02 2.37 5.08 -0.94 0.17 114.58 122.93 2qio h GLU 212 Ca 0.12 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2qio h GLU 212 Cb 0.34 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2qio h GLU 212 CO 0.01 0.90 -0.09 0.93 -1.00 0.00 0.00 179.01 179.76 2qio h GLU 213 N 1.20 0.10 0.00 2.33 5.08 -0.99 -3.36 114.58 118.94 2qio h GLU 213 Ca 0.30 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.42 2qio h GLU 213 Cb 0.06 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2qio h GLU 213 CO -0.04 0.73 -1.84 0.54 -1.00 0.00 0.00 179.01 177.39 2qio n ARG 214 N -4.68 0.65 -1.96 2.33 1.74 0.06 -4.91 116.66 109.89 2qio n ARG 214 Ca -0.09 0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.60 2qio n ARG 214 Cb 0.37 -1.64 -0.01 0.00 -1.02 0.00 0.00 32.46 30.17 2qio n ARG 214 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qio s ALA 215 N -3.02 3.52 0.28 7.54 0.00 0.59 -4.89 121.76 125.77 2qio s ALA 215 Ca -0.06 1.41 0.01 0.00 0.00 0.00 0.00 51.96 53.32 2qio s ALA 215 Cb 0.10 -3.54 0.65 0.00 0.00 0.00 0.00 23.12 20.32 2qio s ALA 215 CO 0.85 -0.85 1.68 -1.35 0.00 0.00 0.00 175.76 176.08 2qio h PRO 216 N 3.15 0.32 -0.07 0.00 0.11 -1.75 0.29 132.00 134.03 2qio h PRO 216 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2qio h PRO 216 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2qio h PRO 216 CO 0.65 0.21 0.00 1.28 -0.21 0.00 0.00 178.00 179.92 2qio n LEU 217 N -5.11 0.63 -4.00 2.35 4.77 -0.91 -4.93 117.00 109.80 2qio n LEU 217 Ca 0.20 -0.28 -0.33 0.00 -0.03 0.00 0.00 56.01 55.58 2qio n LEU 217 Cb 0.60 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 2qio n LEU 217 CO 0.11 0.14 0.02 0.54 -1.33 0.00 0.00 177.39 176.87 2qio n ARG 218 N -0.33 -3.96 -3.46 3.23 5.12 0.10 -4.93 116.66 112.43 2qio n ARG 218 Ca 0.13 0.46 -0.10 0.00 -1.93 0.00 0.00 57.85 56.40 2qio n ARG 218 Cb 0.15 -5.25 -0.02 0.00 -1.16 0.00 0.00 32.46 26.19 2qio n ARG 218 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2qio s ARG 219 N -6.70 1.06 0.60 5.56 1.70 -1.26 -4.77 118.95 115.15 2qio s ARG 219 Ca 0.68 -0.39 -0.07 0.00 -0.47 0.00 0.00 55.73 55.48 2qio s ARG 219 Cb -0.36 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.51 2qio s ARG 219 CO 0.83 -0.46 0.93 0.95 -1.08 0.00 0.00 175.30 176.47 2qio s THR 220 N -3.45 3.79 0.69 4.99 -4.23 -1.26 -4.62 115.64 111.55 2qio s THR 220 Ca 0.03 0.15 -0.11 0.00 -1.18 0.00 0.00 61.69 60.58 2qio s THR 220 Cb -0.01 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.31 2qio s THR 220 CO -0.11 -0.57 1.07 -0.89 -0.54 0.00 0.00 174.62 173.58 2qio s THR 221 N -3.05 3.98 0.15 3.99 2.01 -1.26 -4.98 115.64 116.48 2qio s THR 221 Ca 0.54 0.64 0.05 0.00 0.31 0.00 0.00 61.69 63.24 2qio s THR 221 Cb -0.11 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 2qio s THR 221 CO 0.47 -0.84 -0.12 0.42 -0.69 0.00 0.00 174.62 173.86 2qio s THR 222 N -3.21 1.30 0.48 -0.82 -4.23 -1.26 -4.80 115.64 103.10 2qio s THR 222 Ca 0.57 -1.95 0.13 0.00 -1.18 0.00 0.00 61.69 59.26 2qio s THR 222 Cb -0.12 -1.75 0.26 0.00 1.34 0.00 0.00 72.50 72.24 2qio s THR 222 CO 0.54 -0.61 2.11 1.56 -0.54 0.00 0.00 174.62 177.68 2qio h GLN 223 N 3.02 0.20 -0.38 3.99 7.50 -1.94 -2.23 115.11 125.28 2qio h GLN 223 Ca -0.38 -0.01 -0.16 0.00 0.50 0.00 0.00 58.65 58.60 2qio h GLN 223 Cb 1.20 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.68 2qio h GLN 223 CO 0.59 0.14 -0.38 0.93 -1.50 0.00 0.00 178.83 178.60 2qio h GLU 224 N 0.21 0.91 -0.37 1.46 3.07 -1.94 -0.53 114.58 117.40 2qio h GLU 224 Ca 0.06 -0.48 -0.03 0.00 -0.50 0.00 0.00 59.36 58.41 2qio h GLU 224 Cb -0.01 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 2qio h GLU 224 CO -0.01 1.13 0.09 0.93 -1.40 0.00 0.00 179.01 179.74 2qio h GLU 225 N 0.75 0.53 0.01 2.33 5.08 -1.81 0.12 114.58 121.59 2qio h GLU 225 Ca 0.06 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2qio h GLU 225 Cb 0.97 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2qio h GLU 225 CO 0.09 0.50 -0.00 0.28 -1.00 0.00 0.00 179.01 178.88 2qio h VAL 226 N 0.53 1.42 -0.87 3.13 2.07 -1.33 -2.57 116.25 118.63 2qio h VAL 226 Ca 0.12 -1.31 0.08 0.00 0.82 0.00 0.00 66.70 66.41 2qio h VAL 226 Cb 0.21 2.31 -0.07 0.00 -1.52 0.00 0.00 31.29 32.22 2qio h VAL 226 CO -0.00 0.34 0.53 1.23 0.02 0.00 0.00 177.57 179.69 2qio h GLY 227 N -0.57 1.34 1.53 2.17 0.00 -0.62 0.96 103.07 107.89 2qio h GLY 227 Ca -0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 2qio h GLY 227 CO 0.00 0.22 -0.15 -0.55 0.00 0.00 0.00 176.54 176.06 2qio h ASP 228 N 0.94 0.55 0.29 0.19 5.19 -0.80 -0.35 116.42 122.43 2qio h ASP 228 Ca 0.40 -0.16 -0.12 0.00 -0.62 0.00 0.00 57.03 56.53 2qio h ASP 228 Cb 0.26 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 2qio h ASP 228 CO -0.20 0.72 -0.50 0.74 -3.12 0.00 0.00 179.24 176.88 2qio h THR 229 N 0.51 1.35 -0.49 0.35 2.02 -0.83 -2.67 112.91 113.14 2qio h THR 229 Ca 0.09 -1.73 -0.06 0.00 0.77 0.00 0.00 66.41 65.48 2qio h THR 229 Cb 0.56 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 2qio h THR 229 CO 0.04 0.51 0.05 0.00 0.37 0.00 0.00 175.52 176.49 2qio h ALA 230 N 1.30 1.16 -0.79 6.16 0.00 0.03 -2.42 119.26 124.71 2qio h ALA 230 Ca 0.01 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.71 2qio h ALA 230 Cb 0.95 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2qio h ALA 230 CO 0.08 0.55 0.50 0.28 0.00 0.00 0.00 179.25 180.66 2qio h VAL 231 N 0.75 1.12 0.38 0.00 2.07 -0.75 -0.43 116.25 119.39 2qio h VAL 231 Ca 0.15 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2qio h VAL 231 Cb 0.38 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2qio h VAL 231 CO 0.01 0.18 -0.19 0.15 0.02 0.00 0.00 177.57 177.74 2qio h PHE 232 N 0.98 -0.51 -0.39 1.57 3.57 -1.28 -0.58 116.94 120.31 2qio h PHE 232 Ca 0.31 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 2qio h PHE 232 Cb 0.01 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2qio h PHE 232 CO -0.03 -0.31 0.18 -0.07 -2.23 0.00 0.00 178.31 175.85 2qio h LEU 233 N -0.53 0.48 0.00 0.59 3.38 -1.02 -2.10 115.31 116.10 2qio h LEU 233 Ca -0.05 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2qio h LEU 233 Cb 0.41 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2qio h LEU 233 CO 0.08 0.42 -0.39 -0.26 0.09 0.00 0.00 178.44 178.38 2qio h PHE 234 N 0.54 0.00 -4.46 1.13 0.05 -0.98 -3.45 116.94 109.77 2qio h PHE 234 Ca 0.14 0.00 -0.48 0.00 3.82 0.00 0.00 57.97 61.45 2qio h PHE 234 Cb 0.08 0.00 0.09 0.00 2.00 0.00 0.00 35.95 38.12 2qio h PHE 234 CO 0.00 0.26 0.39 -1.54 -0.18 0.00 0.00 178.31 177.24 2qio s SER 235 N -6.23 4.85 0.50 2.17 1.04 -0.24 -4.73 113.70 111.05 2qio s SER 235 Ca 0.04 0.85 0.22 0.00 0.48 0.00 0.00 55.95 57.55 2qio s SER 235 Cb 0.07 -1.47 1.29 0.00 0.10 0.00 0.00 66.02 66.01 2qio s SER 235 CO 0.72 -1.68 2.05 0.44 0.98 0.00 0.00 173.24 175.75 2qio h ASP 236 N -0.86 0.00 -0.29 7.02 3.32 -1.85 -2.78 116.42 120.98 2qio h ASP 236 Ca -0.46 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.68 2qio h ASP 236 Cb 1.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 2qio h ASP 236 CO 0.65 0.14 0.35 -0.07 -1.72 0.00 0.00 179.24 178.59 2qio h LEU 237 N 0.00 0.00 -2.58 1.55 3.38 -1.94 -0.46 115.31 115.26 2qio h LEU 237 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qio h LEU 237 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2qio h LEU 237 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 2qio n ALA 238 N -2.29 2.48 -0.25 1.53 0.00 -1.05 -4.65 120.51 116.28 2qio n ALA 238 Ca 0.04 -1.24 0.18 0.00 0.00 0.00 0.00 53.44 52.42 2qio n ALA 238 Cb 0.49 -0.96 0.33 0.00 0.00 0.00 0.00 19.45 19.32 2qio n ALA 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qio n ARG 239 N 1.46 -0.05 -0.28 0.00 1.74 -0.18 -0.15 116.66 119.18 2qio n ARG 239 Ca 0.23 1.09 0.11 0.00 -0.77 0.00 0.00 57.85 58.51 2qio n ARG 239 Cb 0.61 -1.84 0.28 0.00 -1.02 0.00 0.00 32.46 30.49 2qio n ARG 239 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qio n GLY 240 N -1.29 1.90 3.50 -0.13 0.00 -1.26 -4.89 105.19 103.01 2qio n GLY 240 Ca 0.23 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 2qio n GLY 240 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qio s VAL 241 N -1.25 4.77 -0.01 1.61 1.01 0.79 -5.07 120.40 122.24 2qio s VAL 241 Ca 0.42 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.07 2qio s VAL 241 Cb 0.23 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 33.36 2qio s VAL 241 CO 0.30 0.23 0.50 0.28 0.00 0.00 0.00 175.10 176.41 2qio s THR 242 N 1.67 0.03 -1.37 3.92 -1.32 -1.26 -4.70 115.64 112.61 2qio s THR 242 Ca 0.06 -0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.28 2qio s THR 242 Cb -0.16 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 2qio s THR 242 CO 0.07 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 2qio n GLY 243 N 0.86 0.08 3.65 6.08 0.00 0.25 -4.93 105.19 111.16 2qio n GLY 243 Ca -0.20 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 2qio n GLY 243 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qio s GLU 244 N -4.49 2.40 -0.27 1.61 2.56 -1.25 -4.84 118.70 114.43 2qio s GLU 244 Ca 0.00 -0.90 0.03 0.00 0.00 0.00 0.00 54.97 54.10 2qio s GLU 244 Cb 0.00 -2.46 0.07 0.00 2.00 0.00 0.00 34.13 33.74 2qio s GLU 244 CO 0.00 0.53 -0.08 1.21 -0.56 0.00 0.00 175.26 176.36 2qio s ASN 245 N -2.24 4.44 -0.23 -1.70 2.47 -1.26 -1.19 114.94 115.24 2qio s ASN 245 Ca 0.24 -1.49 -0.12 0.00 0.42 0.00 0.00 52.86 51.90 2qio s ASN 245 Cb -0.11 -1.52 -0.05 0.00 -1.45 0.00 0.00 41.25 38.11 2qio s ASN 245 CO 0.16 -0.22 0.25 -0.63 -3.72 0.00 0.00 177.10 172.94 2qio s ILE 246 N 1.10 5.30 -0.31 -5.21 1.01 -0.79 -4.86 121.20 117.44 2qio s ILE 246 Ca -0.06 0.37 -0.20 0.00 0.00 0.00 0.00 60.65 60.77 2qio s ILE 246 Cb -0.20 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 2qio s ILE 246 CO -0.06 0.31 0.62 -1.00 0.00 0.00 0.00 174.94 174.81 2qio s HIS 247 N 1.14 3.20 -0.86 3.97 3.76 -1.26 0.09 115.29 125.34 2qio s HIS 247 Ca 0.12 0.53 0.00 0.00 -0.15 0.00 0.00 55.06 55.55 2qio s HIS 247 Cb -0.14 -3.00 0.23 0.00 1.11 0.00 0.00 32.58 30.79 2qio s HIS 247 CO 0.06 -0.49 0.85 0.28 -0.85 0.00 0.00 174.74 174.58 2qio n VAL 248 N 5.42 3.08 -2.48 -0.90 0.31 -0.07 -4.76 118.33 118.92 2qio n VAL 248 Ca -0.01 -5.23 0.04 0.00 -0.01 0.00 0.00 64.34 59.12 2qio n VAL 248 Cb 0.49 -2.26 0.02 0.00 -0.91 0.00 0.00 33.84 31.17 2qio n VAL 248 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2qio n ASP 249 N 1.83 0.94 -1.60 4.52 5.75 -1.26 -2.04 116.55 124.68 2qio n ASP 249 Ca 0.24 -2.00 -0.19 0.00 -0.01 0.00 0.00 54.79 52.83 2qio n ASP 249 Cb 0.37 -0.28 -0.06 0.00 -1.03 0.00 0.00 41.12 40.11 2qio n ASP 249 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2qio n SER 250 N 0.48 -5.30 0.00 -1.12 7.64 -1.26 -2.33 113.62 111.73 2qio n SER 250 Ca 0.05 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2qio n SER 250 Cb 1.13 -4.43 0.00 0.00 -1.01 0.00 0.00 64.21 59.90 2qio n SER 250 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qio n GLY 251 N -0.75 0.85 0.38 0.23 0.00 -1.26 -2.14 105.19 102.50 2qio n GLY 251 Ca -0.20 0.00 0.16 0.00 0.00 0.00 0.00 46.02 45.98 2qio n GLY 251 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qio h TYR 252 N 0.00 0.58 -0.09 1.61 3.20 -1.83 -2.42 116.97 118.01 2qio h TYR 252 Ca 0.00 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.91 2qio h TYR 252 Cb 0.00 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.09 2qio h TYR 252 CO 0.00 0.20 0.22 1.12 -1.64 0.00 0.00 178.16 178.06 2qio h HIS 253 N 0.47 0.00 0.00 -3.82 2.07 -1.91 -1.46 115.15 110.50 2qio h HIS 253 Ca 0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.94 2qio h HIS 253 Cb 0.92 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.90 2qio h HIS 253 CO -0.00 0.00 -0.13 0.44 -3.07 0.00 0.00 177.93 175.16 2qio n ILE 254 N -3.29 0.40 -2.34 6.12 -5.35 -0.91 -4.88 119.36 109.10 2qio n ILE 254 Ca -0.00 -0.21 -0.41 0.00 -0.27 0.00 0.00 62.75 61.86 2qio n ILE 254 Cb 0.31 -0.44 -0.03 0.00 -1.74 0.00 0.00 39.64 37.73 2qio n ILE 254 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2qio s LEU 255 N -4.07 4.44 0.00 7.28 1.43 -0.55 -5.21 118.68 122.00 2qio s LEU 255 Ca 0.11 2.26 0.13 0.00 -1.03 0.00 0.00 54.13 55.60 2qio s LEU 255 Cb 0.14 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.86 2qio s LEU 255 CO 0.61 -0.42 0.91 0.61 0.23 0.00 0.00 176.35 178.29