#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 0.00 0.13 2.12 -0.58 -1.25 -4.54 120.64 116.52 2qio n GLU 2 Ca 0.00 -0.12 0.17 0.00 -0.42 0.00 0.00 57.16 56.78 2qio n GLU 2 Cb 0.00 -0.06 0.74 0.00 -0.57 0.00 0.00 31.44 31.55 2qio n GLU 2 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2qio h LEU 3 N 0.00 0.00 -3.21 -4.62 3.38 -1.85 -2.91 115.31 106.11 2qio h LEU 3 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2qio h LEU 3 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2qio h LEU 3 CO 0.00 0.00 -0.02 0.18 0.09 0.00 0.00 178.44 178.69 2qio n LEU 4 N -4.15 3.54 -4.56 1.67 4.77 0.11 -4.77 117.00 113.61 2qio n LEU 4 Ca 0.04 -3.15 -0.50 0.00 -0.03 0.00 0.00 56.01 52.37 2qio n LEU 4 Cb 0.40 -0.53 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 2qio n LEU 4 CO 0.32 0.77 0.66 0.00 -1.33 0.00 0.00 177.39 177.82 2qio n GLN 5 N -0.82 0.95 -0.92 3.23 6.02 -1.10 -1.25 117.38 123.49 2qio n GLN 5 Ca 0.22 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.55 2qio n GLN 5 Cb 0.85 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 30.30 2qio n GLN 5 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qio n GLY 6 N 2.00 0.24 3.83 1.08 0.00 -1.25 -4.99 105.19 106.10 2qio n GLY 6 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.08 3.19 -0.09 1.61 -0.14 -0.38 -5.00 119.74 117.85 2qio s LYS 7 Ca 0.00 -0.46 0.03 0.00 -1.36 0.00 0.00 55.97 54.18 2qio s LYS 7 Cb 0.00 -2.93 0.01 0.00 -1.68 0.00 0.00 37.83 33.23 2qio s LYS 7 CO 0.00 0.64 -0.18 0.99 -0.76 0.00 0.00 175.35 176.04 2qio s THR 8 N -1.30 1.65 0.07 2.17 2.01 -1.26 -0.92 115.64 118.07 2qio s THR 8 Ca 0.26 -0.77 0.07 0.00 0.31 0.00 0.00 61.69 61.56 2qio s THR 8 Cb -0.12 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 2qio s THR 8 CO 0.18 0.47 -0.18 -0.36 -0.69 0.00 0.00 174.62 174.04 2qio s PHE 9 N 0.59 1.58 -0.25 4.92 0.40 -0.07 0.76 117.98 125.92 2qio s PHE 9 Ca -0.15 -0.40 -0.13 0.00 -0.60 0.00 0.00 56.93 55.65 2qio s PHE 9 Cb -0.17 -0.90 -0.04 0.00 0.51 0.00 0.00 43.02 42.42 2qio s PHE 9 CO 0.05 0.12 0.26 0.08 0.70 0.00 0.00 175.22 176.43 2qio s VAL 10 N -1.04 5.27 -0.34 -0.44 1.01 -0.52 -1.29 120.40 123.06 2qio s VAL 10 Ca 0.04 0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.32 2qio s VAL 10 Cb -0.09 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.73 2qio s VAL 10 CO 0.03 0.26 0.12 -0.69 0.00 0.00 0.00 175.10 174.82 2qio s VAL 11 N 1.50 3.97 -0.14 2.92 1.01 0.45 0.41 120.40 130.53 2qio s VAL 11 Ca 0.11 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 2qio s VAL 11 Cb -0.15 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2qio s VAL 11 CO 0.08 -0.17 0.02 -0.04 0.00 0.00 0.00 175.10 174.99 2qio s MET 12 N 1.44 3.54 0.00 2.72 -1.94 -0.57 -2.35 119.30 122.14 2qio s MET 12 Ca -0.01 -0.40 0.00 0.00 -1.71 0.00 0.00 55.69 53.57 2qio s MET 12 Cb -0.19 -2.99 0.00 0.00 2.01 0.00 0.00 34.83 33.66 2qio s MET 12 CO 0.04 0.44 0.00 0.41 -0.01 0.00 0.00 175.02 175.89 2qio n GLY 13 N 2.98 1.32 3.72 -0.03 0.00 -1.24 -1.97 105.19 109.96 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 3.14 0.00 1.61 1.01 -1.26 -4.62 120.40 118.27 2qio s VAL 14 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.81 2qio s VAL 14 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2qio s VAL 14 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.17 2qio n ALA 15 N 3.80 1.48 -2.29 5.51 0.00 -1.26 -4.79 120.51 122.95 2qio n ALA 15 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.40 2qio n ALA 15 Cb 0.41 0.10 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 2qio n ALA 15 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2qio s ASN 16 N -2.02 1.15 0.38 0.00 2.47 -1.26 -4.73 114.94 110.93 2qio s ASN 16 Ca 0.00 -1.34 0.20 0.00 0.42 0.00 0.00 52.86 52.15 2qio s ASN 16 Cb 0.00 0.16 0.63 0.00 -1.45 0.00 0.00 41.25 40.59 2qio s ASN 16 CO 0.00 -0.70 1.70 -0.61 -3.72 0.00 0.00 177.10 173.77 2qio h GLN 17 N 2.46 0.00 -0.00 0.43 -0.00 -1.99 -2.21 115.11 113.80 2qio h GLN 17 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.27 2qio h GLN 17 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.72 2qio h GLN 17 CO 0.61 0.33 -0.34 0.54 0.00 0.00 0.00 178.83 179.97 2qio n ARG 18 N -3.38 0.10 -1.71 1.69 5.12 -1.26 -4.74 116.66 112.49 2qio n ARG 18 Ca 0.01 -0.05 -0.43 0.00 -1.93 0.00 0.00 57.85 55.45 2qio n ARG 18 Cb 0.53 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.32 2qio n ARG 18 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2qio n SER 19 N -1.41 3.09 -0.10 0.55 7.64 -0.83 -4.72 113.62 117.83 2qio n SER 19 Ca 0.07 1.18 -0.03 0.00 1.01 0.00 0.00 58.87 61.10 2qio n SER 19 Cb 0.33 -1.50 0.20 0.00 -1.01 0.00 0.00 64.21 62.23 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 2.90 1.23 -0.54 0.44 2.04 -1.89 -0.65 117.51 121.04 2qio h ILE 20 Ca -0.46 -0.87 0.10 0.00 1.00 0.00 0.00 64.86 64.62 2qio h ILE 20 Cb 1.26 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 2qio h ILE 20 CO 0.70 0.31 0.36 0.00 0.00 0.00 0.00 178.15 179.53 2qio h ALA 21 N 1.34 2.11 -0.17 1.87 0.00 -1.89 -0.32 119.26 122.20 2qio h ALA 21 Ca 0.15 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 2qio h ALA 21 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2qio h ALA 21 CO 0.01 -0.23 -0.70 2.35 0.00 0.00 0.00 179.25 180.68 2qio h TRP 22 N 0.30 0.96 -0.92 0.00 -0.00 -1.39 0.26 115.95 115.16 2qio h TRP 22 Ca 0.25 -0.40 0.02 0.00 -0.00 0.00 0.00 58.89 58.76 2qio h TRP 22 Cb 0.58 -0.16 -0.05 0.00 -0.00 0.00 0.00 29.16 29.54 2qio h TRP 22 CO -0.00 1.21 0.60 0.78 -0.00 0.00 0.00 178.44 181.03 2qio h GLY 23 N 0.76 1.30 0.85 2.65 0.00 -0.64 -0.94 103.07 107.05 2qio h GLY 23 Ca -0.03 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 2qio h GLY 23 CO 0.14 0.44 0.01 -2.22 0.00 0.00 0.00 176.54 174.91 2qio h ILE 24 N 1.20 1.25 -0.11 2.60 2.04 -0.84 -2.34 117.51 121.30 2qio h ILE 24 Ca 0.35 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 65.39 2qio h ILE 24 Cb -0.07 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 2qio h ILE 24 CO -0.09 0.27 -0.28 0.00 0.00 0.00 0.00 178.15 178.05 2qio h ALA 25 N 0.82 -0.31 -0.76 1.87 0.00 -0.30 0.19 119.26 120.77 2qio h ALA 25 Ca 0.07 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2qio h ALA 25 Cb 0.38 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2qio h ALA 25 CO 0.01 -0.76 0.44 0.00 0.00 0.00 0.00 179.25 178.94 2qio h ARG 26 N -0.37 0.76 -0.38 0.00 3.08 -1.16 0.13 114.38 116.45 2qio h ARG 26 Ca 0.09 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 2qio h ARG 26 Cb 0.51 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2qio h ARG 26 CO -0.32 0.50 -0.34 0.77 -1.07 0.00 0.00 179.97 179.51 2qio h SER 27 N 0.78 0.90 -0.42 7.04 0.02 -0.81 -0.69 113.55 120.37 2qio h SER 27 Ca 0.35 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2qio h SER 27 Cb 0.25 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2qio h SER 27 CO -0.21 1.15 0.17 -0.07 -1.14 0.00 0.00 176.83 176.74 2qio h LEU 28 N 0.71 0.57 -0.17 5.07 3.38 -0.00 -2.07 115.31 122.81 2qio h LEU 28 Ca 0.07 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.91 2qio h LEU 28 Cb 0.90 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2qio h LEU 28 CO 0.08 0.58 0.01 -0.74 0.09 0.00 0.00 178.44 178.46 2qio h HIS 29 N 0.53 0.01 0.00 1.13 2.76 -0.54 -1.73 115.15 117.31 2qio h HIS 29 Ca 0.14 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2qio h HIS 29 Cb 0.18 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 2qio h HIS 29 CO -0.00 -0.01 -0.02 -0.91 -1.30 0.00 0.00 177.93 175.69 2qio h ASN 30 N 0.07 0.00 -0.33 3.26 2.35 -0.94 0.13 115.58 120.11 2qio h ASN 30 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2qio h ASN 30 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2qio h ASN 30 CO -0.13 0.02 0.00 0.00 -1.65 0.00 0.00 177.43 175.67 2qio n ALA 31 N -2.13 2.46 -0.48 -0.83 0.00 -0.71 -3.58 120.51 115.25 2qio n ALA 31 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2qio n ALA 31 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.12 0.75 3.87 0.00 0.00 0.44 0.07 105.19 111.44 2qio n GLY 32 Ca 0.14 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 3.25 -0.10 4.61 0.00 -0.83 -3.86 121.76 122.83 2qio s ALA 33 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 51.96 51.76 2qio s ALA 33 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 2qio s ALA 33 CO 0.00 -0.24 0.09 0.15 0.00 0.00 0.00 175.76 175.76 2qio s LYS 34 N -4.30 3.27 0.17 0.00 1.02 -0.09 -4.47 119.74 115.34 2qio s LYS 34 Ca 0.53 -0.24 0.11 0.00 0.02 0.00 0.00 55.97 56.39 2qio s LYS 34 Cb -0.10 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 2qio s LYS 34 CO 0.38 0.75 -0.25 -0.51 -0.92 0.00 0.00 175.35 174.79 2qio s LEU 35 N -1.04 2.39 -0.09 3.17 1.43 -1.26 -0.89 118.68 122.40 2qio s LEU 35 Ca 0.15 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.45 2qio s LEU 35 Cb -0.12 -1.18 0.01 0.00 0.03 0.00 0.00 46.19 44.94 2qio s LEU 35 CO 0.04 0.14 -0.14 -0.63 0.23 0.00 0.00 176.35 175.99 2qio s ILE 36 N -1.43 1.33 0.01 -0.59 1.01 -0.41 -3.98 121.20 117.13 2qio s ILE 36 Ca 0.18 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.29 2qio s ILE 36 Cb -0.09 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 2qio s ILE 36 CO 0.08 0.40 -0.05 -0.36 0.00 0.00 0.00 174.94 175.01 2qio s PHE 37 N 0.83 2.93 0.12 3.97 0.40 0.35 -0.41 117.98 126.17 2qio s PHE 37 Ca -0.11 -0.01 0.08 0.00 -0.60 0.00 0.00 56.93 56.29 2qio s PHE 37 Cb -0.15 -1.61 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 2qio s PHE 37 CO 0.01 0.40 -0.20 0.95 0.70 0.00 0.00 175.22 177.08 2qio s THR 38 N -1.03 1.74 0.04 0.64 -4.23 -0.99 -0.03 115.64 111.78 2qio s THR 38 Ca 0.18 -1.63 0.02 0.00 -1.18 0.00 0.00 61.69 59.09 2qio s THR 38 Cb -0.11 -1.62 -0.02 0.00 1.34 0.00 0.00 72.50 72.08 2qio s THR 38 CO 0.09 -0.12 -0.08 -0.72 -0.54 0.00 0.00 174.62 173.25 2qio s TYR 39 N -1.35 0.70 0.00 3.99 1.13 -0.86 -3.73 117.35 117.23 2qio s TYR 39 Ca 0.08 -0.48 0.00 0.00 -1.41 0.00 0.00 57.07 55.26 2qio s TYR 39 Cb -0.09 -0.42 0.00 0.00 -1.10 0.00 0.00 41.96 40.35 2qio s TYR 39 CO 0.05 -0.07 0.59 0.00 -2.51 0.00 0.00 175.55 173.61 2qio n ALA 40 N 1.50 -0.07 -2.68 9.51 0.00 -1.26 -1.13 120.51 126.38 2qio n ALA 40 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.91 2qio n ALA 40 Cb 0.55 0.06 -0.09 0.00 0.00 0.00 0.00 19.45 19.97 2qio n ALA 40 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qio s GLY 41 N -0.19 2.76 0.39 0.00 0.00 -1.26 -4.00 107.32 105.02 2qio s GLY 41 Ca 0.00 -1.33 0.12 0.00 0.00 0.00 0.00 44.72 43.51 2qio s GLY 41 CO 0.00 -2.14 1.89 0.83 0.00 0.00 0.00 173.10 173.68 2qio h GLU 42 N 1.53 0.55 -0.53 2.90 5.08 -2.01 0.03 114.58 122.13 2qio h GLU 42 Ca -0.44 -0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.04 2qio h GLU 42 Cb 1.28 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2qio h GLU 42 CO 0.77 0.37 0.70 -0.09 -1.00 0.00 0.00 179.01 179.75 2qio h ARG 43 N 0.57 0.00 -0.00 2.33 2.43 -2.00 -1.08 114.38 116.63 2qio h ARG 43 Ca 0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 2qio h ARG 43 Cb 0.78 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2qio h ARG 43 CO -0.17 0.00 -0.42 1.28 -1.51 0.00 0.00 179.97 179.16 2qio n LEU 44 N -3.40 0.55 -0.23 3.80 4.32 -0.01 -4.59 117.00 117.45 2qio n LEU 44 Ca 0.11 -0.54 0.15 0.00 -0.02 0.00 0.00 56.01 55.71 2qio n LEU 44 Cb 0.89 0.00 0.45 0.00 -1.62 0.00 0.00 43.42 43.14 2qio n LEU 44 CO 0.23 0.13 1.22 -0.08 -1.22 0.00 0.00 177.39 177.67 2qio h GLU 45 N 0.15 0.52 0.59 3.23 4.81 -1.12 -2.33 114.58 120.43 2qio h GLU 45 Ca 0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2qio h GLU 45 Cb 0.24 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2qio h GLU 45 CO 0.00 0.34 -0.42 -0.09 -0.73 0.00 0.00 179.01 178.11 2qio h ARG 46 N 0.53 -0.93 -0.57 1.92 9.65 -1.81 0.17 114.38 123.34 2qio h ARG 46 Ca 0.43 0.06 0.07 0.00 -1.10 0.00 0.00 59.98 59.44 2qio h ARG 46 Cb 0.86 0.21 -0.06 0.00 -1.39 0.00 0.00 29.97 29.59 2qio h ARG 46 CO -0.17 -0.62 0.24 -0.91 2.80 0.00 0.00 179.97 181.31 2qio h ASN 47 N -0.97 0.29 -0.06 -3.80 2.35 -1.76 -0.56 115.58 111.07 2qio h ASN 47 Ca -0.08 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2qio h ASN 47 Cb 0.79 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.18 2qio h ASN 47 CO 0.04 0.19 -0.01 0.58 -1.65 0.00 0.00 177.43 176.58 2qio h VAL 48 N 0.45 1.29 -0.89 2.81 2.07 -1.36 0.31 116.25 120.93 2qio h VAL 48 Ca 0.27 -0.91 0.05 0.00 0.82 0.00 0.00 66.70 66.93 2qio h VAL 48 Cb 0.28 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 2qio h VAL 48 CO -0.24 0.25 0.57 -0.09 0.02 0.00 0.00 177.57 178.07 2qio h ARG 49 N -0.22 1.04 -0.16 1.57 9.65 -0.81 0.30 114.38 125.75 2qio h ARG 49 Ca 0.02 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2qio h ARG 49 Cb 0.40 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 2qio h ARG 49 CO 0.01 0.69 0.09 0.93 2.80 0.00 0.00 179.97 184.48 2qio h GLU 50 N 1.07 0.22 -0.18 0.20 5.08 -0.91 -1.25 114.58 118.81 2qio h GLU 50 Ca 0.37 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.67 2qio h GLU 50 Cb 0.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2qio h GLU 50 CO -0.14 0.23 0.01 -0.07 -1.00 0.00 0.00 179.01 178.04 2qio h LEU 51 N 0.16 0.30 -1.41 1.33 3.38 -0.53 -2.85 115.31 115.69 2qio h LEU 51 Ca 0.06 -0.29 0.13 0.00 0.09 0.00 0.00 57.88 57.87 2qio h LEU 51 Cb 0.07 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 2qio h LEU 51 CO -0.01 0.52 0.53 0.00 0.09 0.00 0.00 178.44 179.57 2qio h ALA 52 N 0.79 1.92 0.00 1.53 0.00 -0.32 -0.46 119.26 122.72 2qio h ALA 52 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2qio h ALA 52 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2qio h ALA 52 CO 0.01 -0.12 -0.36 -0.44 0.00 0.00 0.00 179.25 178.34 2qio h ASP 53 N 0.60 0.00 0.06 0.00 3.32 -0.99 -2.97 116.42 116.43 2qio h ASP 53 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 2qio h ASP 53 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2qio h ASP 53 CO -0.16 0.36 0.00 0.35 -1.72 0.00 0.00 179.24 178.07 2qio n THR 54 N -3.79 0.28 -3.22 0.35 -2.24 -0.18 -4.67 114.28 100.82 2qio n THR 54 Ca -0.01 0.07 -0.39 0.00 -2.27 0.00 0.00 64.05 61.45 2qio n THR 54 Cb 0.44 -0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 67.69 2qio n THR 54 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qio s LEU 55 N -2.20 4.48 0.34 3.22 1.43 -1.12 -5.02 118.68 119.80 2qio s LEU 55 Ca 0.12 1.24 -0.29 0.00 -1.03 0.00 0.00 54.13 54.18 2qio s LEU 55 Cb 0.06 -2.94 -0.12 0.00 0.03 0.00 0.00 46.19 43.23 2qio s LEU 55 CO 0.12 0.19 1.49 -0.62 0.23 0.00 0.00 176.35 177.76 2qio n GLU 56 N 2.19 2.57 -1.02 1.70 4.71 -1.26 -4.20 120.64 125.33 2qio n GLU 56 Ca -0.08 0.91 -0.02 0.00 -0.01 0.00 0.00 57.16 57.95 2qio n GLU 56 Cb 0.51 -2.63 0.00 0.00 -1.01 0.00 0.00 31.44 28.31 2qio n GLU 56 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2qio n GLY 57 N 1.13 0.01 3.07 0.62 0.00 -1.26 -4.94 105.19 103.83 2qio n GLY 57 Ca 0.05 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 2qio n GLY 57 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qio s GLN 58 N -0.16 0.38 0.19 1.61 1.03 -1.26 -5.03 119.66 116.42 2qio s GLN 58 Ca 0.02 -0.29 -0.11 0.00 0.04 0.00 0.00 55.36 55.01 2qio s GLN 58 Cb -0.00 0.16 0.19 0.00 0.03 0.00 0.00 33.01 33.39 2qio s GLN 58 CO 0.05 -0.08 1.78 1.05 -2.54 0.00 0.00 175.29 175.54 2qio h GLU 59 N 4.71 0.50 -5.58 9.60 4.11 -1.92 -3.47 114.58 122.53 2qio h GLU 59 Ca -0.30 -0.03 -0.22 0.00 0.07 0.00 0.00 59.36 58.89 2qio h GLU 59 Cb 1.20 -0.11 0.13 0.00 0.50 0.00 0.00 28.75 30.46 2qio h GLU 59 CO 0.41 0.33 -0.65 0.45 0.07 0.00 0.00 179.01 179.62 2qio n SER 60 N -4.89 -6.72 -4.69 3.06 2.88 -1.26 -4.97 113.62 97.03 2qio n SER 60 Ca 0.06 -0.59 -0.42 0.00 -1.33 0.00 0.00 58.87 56.59 2qio n SER 60 Cb 0.18 -4.87 -0.03 0.00 -0.75 0.00 0.00 64.21 58.74 2qio n SER 60 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2qio s LEU 61 N -5.17 4.28 -0.19 2.46 2.96 -1.26 -4.99 118.68 116.78 2qio s LEU 61 Ca 0.33 1.54 -0.02 0.00 -0.22 0.00 0.00 54.13 55.75 2qio s LEU 61 Cb -0.06 -3.52 0.06 0.00 0.50 0.00 0.00 46.19 43.17 2qio s LEU 61 CO 0.77 -0.37 0.03 -0.69 -1.32 0.00 0.00 176.35 174.76 2qio s VAL 62 N 1.65 0.62 0.18 1.68 1.01 -1.26 -0.49 120.40 123.79 2qio s VAL 62 Ca 0.49 -0.60 0.11 0.00 0.00 0.00 0.00 61.98 61.98 2qio s VAL 62 Cb -0.19 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2qio s VAL 62 CO 0.21 -0.18 -0.24 -0.76 0.00 0.00 0.00 175.10 174.13 2qio s LEU 63 N 1.82 2.41 0.41 3.92 1.43 0.96 -4.98 118.68 124.65 2qio s LEU 63 Ca -0.01 -0.84 -0.22 0.00 -1.03 0.00 0.00 54.13 52.03 2qio s LEU 63 Cb -0.17 -1.15 -0.11 0.00 0.03 0.00 0.00 46.19 44.79 2qio s LEU 63 CO -0.08 0.12 0.95 -2.16 0.23 0.00 0.00 176.35 175.41 2qio s PRO 64 N -2.55 4.29 -0.36 1.29 0.04 -1.26 -2.02 135.00 134.42 2qio s PRO 64 Ca 0.19 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2qio s PRO 64 Cb -0.08 -2.29 0.19 0.00 0.04 0.00 0.00 34.50 32.36 2qio s PRO 64 CO 0.09 0.02 0.80 0.00 0.04 0.00 0.00 177.00 177.95 2qio s ASP 66 N 2.09 6.72 0.00 0.00 -1.08 -1.26 -4.39 116.67 118.75 2qio s ASP 66 Ca 0.16 0.74 0.17 0.00 -0.52 0.00 0.00 52.55 53.10 2qio s ASP 66 Cb -0.02 -2.44 1.00 0.00 -1.46 0.00 0.00 42.92 40.01 2qio s ASP 66 CO -0.13 -0.68 1.46 1.33 0.52 0.00 0.00 175.17 177.66 2qio n VAL 67 N 5.62 0.11 1.12 1.11 0.24 -1.26 -1.97 118.33 123.31 2qio n VAL 67 Ca 0.06 0.03 0.12 0.00 -2.04 0.00 0.00 64.34 62.50 2qio n VAL 67 Cb 0.48 -0.75 0.20 0.00 -1.47 0.00 0.00 33.84 32.29 2qio n VAL 67 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2qio n THR 68 N -1.06 0.00 -3.72 3.34 -2.24 -1.26 -4.75 114.28 104.59 2qio n THR 68 Ca 0.12 -0.17 -0.37 0.00 -2.27 0.00 0.00 64.05 61.36 2qio n THR 68 Cb 0.08 0.76 -0.11 0.00 -2.10 0.00 0.00 70.33 68.95 2qio n THR 68 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2qio s ASN 69 N -2.54 5.37 0.45 3.42 3.84 -0.83 -4.97 114.94 119.68 2qio s ASN 69 Ca 0.21 -2.02 0.18 0.00 0.21 0.00 0.00 52.86 51.43 2qio s ASN 69 Cb 0.19 -1.87 1.13 0.00 -0.55 0.00 0.00 41.25 40.14 2qio s ASN 69 CO 0.57 -0.58 1.95 0.44 -2.79 0.00 0.00 177.10 176.69 2qio h ASP 70 N 8.12 0.29 0.15 -4.21 3.32 -1.85 -0.12 116.42 122.12 2qio h ASP 70 Ca -0.15 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2qio h ASP 70 Cb 1.05 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2qio h ASP 70 CO 0.74 0.16 -0.07 -0.33 -1.72 0.00 0.00 179.24 178.01 2qio h GLU 71 N 0.31 -0.20 -0.05 3.56 5.08 -1.94 -0.91 114.58 120.43 2qio h GLU 71 Ca 0.33 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2qio h GLU 71 Cb 0.85 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 2qio h GLU 71 CO -0.08 0.11 0.03 1.49 -1.00 0.00 0.00 179.01 179.56 2qio h GLU 72 N -0.52 0.08 -0.58 2.33 4.81 -1.75 0.41 114.58 119.35 2qio h GLU 72 Ca -0.02 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.31 2qio h GLU 72 Cb 0.40 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.68 2qio h GLU 72 CO 0.03 0.13 0.08 1.25 -0.73 0.00 0.00 179.01 179.78 2qio h LEU 73 N -0.00 -0.09 -0.48 1.64 6.46 -1.06 0.34 115.31 122.12 2qio h LEU 73 Ca 0.02 0.12 -0.14 0.00 -0.12 0.00 0.00 57.88 57.76 2qio h LEU 73 Cb 0.08 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 2qio h LEU 73 CO -0.00 -0.03 -0.29 0.74 -0.62 0.00 0.00 178.44 178.24 2qio h THR 74 N 0.20 1.27 -0.09 1.05 2.02 -0.93 -3.07 112.91 113.36 2qio h THR 74 Ca 0.30 -1.46 -0.12 0.00 0.77 0.00 0.00 66.41 65.90 2qio h THR 74 Cb 0.46 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2qio h THR 74 CO -0.43 0.49 -0.49 0.00 0.37 0.00 0.00 175.52 175.46 2qio h ALA 75 N 0.86 0.99 -0.35 6.16 0.00 0.18 -2.15 119.26 124.95 2qio h ALA 75 Ca 0.09 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.54 2qio h ALA 75 Cb 0.87 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2qio h ALA 75 CO 0.08 0.65 0.22 0.00 0.00 0.00 0.00 179.25 180.20 2qio h PHE 77 N 0.45 0.00 -0.22 0.00 0.04 -1.52 -1.05 116.94 114.64 2qio h PHE 77 Ca 0.13 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.83 2qio h PHE 77 Cb -0.03 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 2qio h PHE 77 CO -0.06 0.28 -0.15 1.49 -0.60 0.00 0.00 178.31 179.27 2qio h GLU 78 N 0.00 0.49 -0.26 1.51 4.22 -1.02 0.15 114.58 119.67 2qio h GLU 78 Ca -0.00 -0.23 0.03 0.00 0.08 0.00 0.00 59.36 59.24 2qio h GLU 78 Cb 1.22 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 2qio h GLU 78 CO 0.04 0.79 0.06 1.15 -2.18 0.00 0.00 179.01 178.87 2qio h THR 79 N 0.19 0.89 -0.63 0.32 2.02 -0.61 -0.77 112.91 114.32 2qio h THR 79 Ca 0.04 -0.06 0.06 0.00 0.77 0.00 0.00 66.41 67.23 2qio h THR 79 Cb 0.67 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 2qio h THR 79 CO 0.04 0.03 0.32 0.40 0.37 0.00 0.00 175.52 176.68 2qio h ILE 80 N 0.16 0.92 -0.60 3.11 2.04 -0.89 -0.14 117.51 122.11 2qio h ILE 80 Ca 0.12 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2qio h ILE 80 Cb 0.12 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 2qio h ILE 80 CO -0.15 0.11 0.37 0.50 0.00 0.00 0.00 178.15 178.98 2qio h LYS 81 N 0.59 0.80 -0.58 2.37 3.64 -0.03 0.96 116.57 124.32 2qio h LYS 81 Ca 0.29 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 2qio h LYS 81 Cb 0.22 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2qio h LYS 81 CO -0.20 0.56 0.09 1.96 -2.27 0.00 0.00 179.45 179.59 2qio h GLN 82 N 0.81 0.96 0.00 1.90 4.20 -0.40 -0.19 115.11 122.38 2qio h GLN 82 Ca 0.22 -0.26 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 2qio h GLN 82 Cb -0.05 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2qio h GLN 82 CO -0.04 0.91 -0.98 0.93 -0.67 0.00 0.00 178.83 178.98 2qio h GLU 83 N 0.86 0.00 0.00 1.46 5.08 -0.86 -3.41 114.58 117.70 2qio h GLU 83 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2qio h GLU 83 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2qio h GLU 83 CO 0.01 0.18 -0.75 0.28 -1.00 0.00 0.00 179.01 177.73 2qio n VAL 84 N -2.88 0.00 0.00 3.13 0.31 0.32 -5.05 118.33 114.16 2qio n VAL 84 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2qio n VAL 84 Cb 0.69 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 2qio n VAL 84 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qio n GLY 85 N 2.42 1.69 3.15 2.92 0.00 -0.08 -4.87 105.19 110.42 2qio n GLY 85 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.06 -0.11 0.34 2.61 2.01 -1.26 -4.84 115.64 114.34 2qio s THR 86 Ca 0.00 0.14 0.09 0.00 0.31 0.00 0.00 61.69 62.23 2qio s THR 86 Cb 0.00 -0.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 2qio s THR 86 CO 0.00 0.06 0.04 0.27 -0.69 0.00 0.00 174.62 174.29 2qio s ILE 87 N 1.51 2.70 -0.71 1.82 -4.36 -0.30 -4.77 121.20 117.10 2qio s ILE 87 Ca -0.08 -1.92 0.08 0.00 -0.26 0.00 0.00 60.65 58.47 2qio s ILE 87 Cb -0.10 -2.83 0.24 0.00 1.25 0.00 0.00 42.46 41.02 2qio s ILE 87 CO -0.10 -0.20 1.20 1.41 0.24 0.00 0.00 174.94 177.49 2qio n HIS 88 N -0.99 0.37 0.00 1.37 8.25 0.23 -4.32 115.22 120.13 2qio n HIS 88 Ca -0.04 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 2qio n HIS 88 Cb 0.62 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.69 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 0.27 1.57 2.93 -1.41 0.00 -1.24 -1.95 105.19 105.35 2qio n GLY 89 Ca 0.09 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.04 -0.41 1.61 1.01 -0.79 -1.44 120.40 118.34 2qio s VAL 90 Ca 0.00 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 2qio s VAL 90 Cb 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 36.21 2qio s VAL 90 CO 0.00 0.05 0.29 0.00 0.00 0.00 0.00 175.10 175.44 2qio s ALA 91 N 0.84 3.42 -0.55 5.51 0.00 0.17 -0.79 121.76 130.36 2qio s ALA 91 Ca -0.06 -1.81 -0.21 0.00 0.00 0.00 0.00 51.96 49.88 2qio s ALA 91 Cb -0.08 -2.82 0.06 0.00 0.00 0.00 0.00 23.12 20.28 2qio s ALA 91 CO -0.04 -1.50 0.75 -1.58 0.00 0.00 0.00 175.76 173.40 2qio s HIS 92 N 1.62 2.94 -0.55 0.00 2.46 0.25 -1.51 115.29 120.50 2qio s HIS 92 Ca 0.04 -0.48 0.06 0.00 0.47 0.00 0.00 55.06 55.16 2qio s HIS 92 Cb -0.20 -3.82 0.33 0.00 -0.13 0.00 0.00 32.58 28.75 2qio s HIS 92 CO 0.08 -1.22 0.87 0.00 -2.47 0.00 0.00 174.74 172.00 2qio s ILE 94 N -3.74 1.35 -0.14 0.00 1.01 -1.26 -4.36 121.20 114.06 2qio s ILE 94 Ca 0.46 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 2qio s ILE 94 Cb 0.27 -1.17 0.13 0.00 0.01 0.00 0.00 42.46 41.70 2qio s ILE 94 CO -0.11 0.19 1.04 0.00 0.00 0.00 0.00 174.94 176.05 2qio s ALA 95 N -0.68 -1.95 -0.14 9.38 0.00 -1.26 -4.61 121.76 122.50 2qio s ALA 95 Ca 0.05 1.49 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 2qio s ALA 95 Cb -0.08 -0.45 0.12 0.00 0.00 0.00 0.00 23.12 22.71 2qio s ALA 95 CO 0.01 -0.43 0.95 0.12 0.00 0.00 0.00 175.76 176.41 2qio s PHE 96 N -1.74 -0.41 -0.23 0.00 5.36 -1.26 -4.90 117.98 114.80 2qio s PHE 96 Ca 0.02 0.69 -0.27 0.00 -0.96 0.00 0.00 56.93 56.42 2qio s PHE 96 Cb -0.01 0.45 0.09 0.00 -0.34 0.00 0.00 43.02 43.21 2qio s PHE 96 CO -0.03 -0.38 0.85 0.00 -1.46 0.00 0.00 175.22 174.20 2qio s ALA 97 N -1.14 -1.86 0.21 11.12 0.00 -1.26 -4.04 121.76 124.79 2qio s ALA 97 Ca -0.03 1.82 -0.32 0.00 0.00 0.00 0.00 51.96 53.43 2qio s ALA 97 Cb -0.00 -1.03 -0.12 0.00 0.00 0.00 0.00 23.12 21.97 2qio s ALA 97 CO 0.03 -0.31 1.72 0.09 0.00 0.00 0.00 175.76 177.29 2qio n ASN 98 N 2.03 3.96 -0.19 0.00 3.02 -1.26 -4.84 115.26 117.98 2qio n ASN 98 Ca -0.14 1.06 0.26 0.00 -0.03 0.00 0.00 54.58 55.73 2qio n ASN 98 Cb 0.56 -1.57 0.66 0.00 -0.61 0.00 0.00 39.78 38.82 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 6.74 0.11 0.29 3.52 2.43 -2.00 -1.23 114.38 124.24 2qio h ARG 99 Ca -0.43 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 2qio h ARG 99 Cb 1.20 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2qio h ARG 99 CO 0.95 0.07 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.85 2qio h ASP 100 N 0.11 -0.50 -0.01 -3.80 5.19 -1.95 -2.20 116.42 113.25 2qio h ASP 100 Ca 0.43 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.88 2qio h ASP 100 Cb 1.54 0.16 -0.00 0.00 0.18 0.00 0.00 39.33 41.21 2qio h ASP 100 CO -0.06 -0.31 0.07 0.44 -3.12 0.00 0.00 179.24 176.26 2qio h ASP 101 N -0.48 0.00 0.08 6.45 3.32 -1.59 0.16 116.42 124.36 2qio h ASP 101 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2qio h ASP 101 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2qio h ASP 101 CO 0.01 0.00 -0.00 0.18 -1.72 0.00 0.00 179.24 177.71 2qio n LEU 102 N -3.19 0.12 -4.66 1.55 4.77 -0.83 -4.28 117.00 110.48 2qio n LEU 102 Ca -0.03 -0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.72 2qio n LEU 102 Cb 0.14 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 2qio n LEU 102 CO 0.20 0.02 -0.30 -0.54 -1.33 0.00 0.00 177.39 175.44 2qio s LYS 103 N -2.08 2.30 6.12 3.23 1.02 0.58 -4.48 119.74 126.43 2qio s LYS 103 Ca 0.44 -1.46 0.00 0.00 0.02 0.00 0.00 55.97 54.98 2qio s LYS 103 Cb 0.22 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 2qio s LYS 103 CO 0.38 0.31 0.00 0.41 -0.92 0.00 0.00 175.35 175.53 2qio n GLY 104 N -0.94 3.06 3.86 -3.33 0.00 -1.26 -4.72 105.19 101.86 2qio n GLY 104 Ca -0.06 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 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 3.53 0.37 1.61 2.02 -1.26 -4.90 118.70 120.07 2qio s GLU 105 Ca 0.00 -0.10 0.04 0.00 0.02 0.00 0.00 54.97 54.93 2qio s GLU 105 Cb 0.00 -3.21 0.72 0.00 0.10 0.00 0.00 34.13 31.74 2qio s GLU 105 CO 0.00 0.73 2.03 0.35 0.02 0.00 0.00 175.26 178.39 2qio h PHE 106 N 5.10 0.69 -0.04 1.61 3.57 -1.88 -1.48 116.94 124.51 2qio h PHE 106 Ca -0.54 0.02 0.01 0.00 3.53 0.00 0.00 57.97 60.99 2qio h PHE 106 Cb 1.22 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 2qio h PHE 106 CO 0.74 0.44 0.06 -0.24 -2.23 0.00 0.00 178.31 177.08 2qio h VAL 107 N 0.75 0.43 -0.25 1.41 3.04 -1.98 -0.40 116.25 119.24 2qio h VAL 107 Ca 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.89 2qio h VAL 107 Cb -0.08 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 2qio h VAL 107 CO -0.04 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 176.99 2qio n ASP 108 N -3.71 1.51 -4.75 3.17 8.00 -0.56 -4.91 116.55 115.32 2qio n ASP 108 Ca -0.02 -1.91 -0.41 0.00 0.71 0.00 0.00 54.79 53.16 2qio n ASP 108 Cb 0.14 -0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.06 2qio n ASP 108 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qio s THR 109 N -1.67 2.36 0.53 -3.53 2.01 -0.16 -4.97 115.64 110.21 2qio s THR 109 Ca 0.23 0.30 -0.10 0.00 0.31 0.00 0.00 61.69 62.43 2qio s THR 109 Cb 0.12 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.39 2qio s THR 109 CO 0.17 0.05 0.91 -0.94 -0.69 0.00 0.00 174.62 174.12 2qio s SER 110 N 0.39 6.33 0.25 3.53 1.04 -1.26 -4.92 113.70 119.06 2qio s SER 110 Ca 0.61 1.24 -0.05 0.00 0.48 0.00 0.00 55.95 58.23 2qio s SER 110 Cb -0.45 -2.38 0.32 0.00 0.10 0.00 0.00 66.02 63.61 2qio s SER 110 CO 0.46 -0.68 1.89 -0.09 0.98 0.00 0.00 173.24 175.80 2qio h ARG 111 N 0.22 1.14 -0.21 4.02 2.43 -1.99 -1.43 114.38 118.55 2qio h ARG 111 Ca -0.46 -0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 58.46 2qio h ARG 111 Cb 1.19 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2qio h ARG 111 CO 0.62 0.75 -0.60 -0.44 -1.51 0.00 0.00 179.97 178.79 2qio h ASP 112 N 1.17 0.80 -0.44 -3.80 5.19 -1.98 -1.94 116.42 115.42 2qio h ASP 112 Ca 0.39 -0.45 -0.07 0.00 -0.62 0.00 0.00 57.03 56.28 2qio h ASP 112 Cb 0.05 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.31 2qio h ASP 112 CO -0.14 1.22 -0.00 1.23 -3.12 0.00 0.00 179.24 178.43 2qio h GLY 113 N 0.86 0.84 0.99 2.75 0.00 -1.89 0.21 103.07 106.84 2qio h GLY 113 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.71 2qio h GLY 113 CO 0.12 0.57 0.20 -2.75 0.00 0.00 0.00 176.54 174.69 2qio h PHE 114 N 0.62 0.40 -0.01 5.60 3.57 -1.23 0.71 116.94 126.61 2qio h PHE 114 Ca 0.13 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.50 2qio h PHE 114 Cb 0.50 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2qio h PHE 114 CO 0.04 0.27 -0.61 -0.07 -2.23 0.00 0.00 178.31 175.71 2qio h LEU 115 N 0.42 0.02 0.52 0.59 3.38 -1.23 -1.56 115.31 117.44 2qio h LEU 115 Ca 0.11 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2qio h LEU 115 Cb -0.03 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.72 2qio h LEU 115 CO -0.02 0.63 -0.25 0.25 0.09 0.00 0.00 178.44 179.13 2qio h LEU 116 N 0.02 -0.59 -0.58 1.67 5.85 0.08 0.26 115.31 122.02 2qio h LEU 116 Ca -0.01 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.79 2qio h LEU 116 Cb 1.08 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 2qio h LEU 116 CO 0.08 -0.38 0.24 0.00 -0.34 0.00 0.00 178.44 178.04 2qio h ALA 117 N -0.29 0.74 -0.37 1.25 0.00 -0.80 0.15 119.26 119.95 2qio h ALA 117 Ca -0.07 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2qio h ALA 117 Cb 0.56 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2qio h ALA 117 CO 0.12 -0.15 0.10 1.96 0.00 0.00 0.00 179.25 181.27 2qio h GLN 118 N 0.44 0.58 0.39 0.00 1.08 -1.09 0.21 115.11 116.73 2qio h GLN 118 Ca 0.28 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2qio h GLN 118 Cb 0.30 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2qio h GLN 118 CO -0.26 0.61 -0.23 -0.97 -0.95 0.00 0.00 178.83 177.04 2qio h ASN 119 N 0.45 -0.56 -0.03 1.46 -1.24 0.22 0.29 115.58 116.18 2qio h ASN 119 Ca 0.12 0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.11 2qio h ASN 119 Cb 0.28 0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.50 2qio h ASN 119 CO -0.00 -0.37 -0.19 0.40 -1.29 0.00 0.00 177.43 175.98 2qio h ILE 120 N -0.58 1.50 0.00 2.57 2.04 -0.97 -2.44 117.51 119.63 2qio h ILE 120 Ca -0.05 -1.74 -0.10 0.00 1.00 0.00 0.00 64.86 63.97 2qio h ILE 120 Cb 0.47 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 2qio h ILE 120 CO 0.06 0.48 -0.54 0.28 0.00 0.00 0.00 178.15 178.43 2qio h SER 121 N -0.44 0.00 0.00 1.72 0.02 -0.66 -3.37 113.55 110.82 2qio h SER 121 Ca -0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2qio h SER 121 Cb 0.88 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 2qio h SER 121 CO 0.04 0.44 -0.21 0.00 -1.14 0.00 0.00 176.83 175.96 2qio n ALA 122 N -2.23 2.89 -0.06 3.77 0.00 -0.22 -4.79 120.51 119.87 2qio n ALA 122 Ca 0.01 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.50 2qio n ALA 122 Cb 0.72 0.27 0.47 0.00 0.00 0.00 0.00 19.45 20.92 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 -0.06 0.47 -0.90 0.00 3.04 -0.47 -2.58 116.94 116.45 2qio h PHE 123 Ca -0.01 0.01 0.16 0.00 3.98 0.00 0.00 57.97 62.12 2qio h PHE 123 Cb 0.20 -0.16 -0.07 0.00 2.56 0.00 0.00 35.95 38.49 2qio h PHE 123 CO -0.02 0.25 0.58 0.66 -2.02 0.00 0.00 178.31 177.76 2qio h SER 124 N 0.46 0.60 -0.94 0.41 4.64 -1.60 0.29 113.55 117.41 2qio h SER 124 Ca 0.24 0.05 0.06 0.00 -0.47 0.00 0.00 61.79 61.67 2qio h SER 124 Cb 0.36 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.32 2qio h SER 124 CO -0.07 0.28 0.61 0.25 -0.87 0.00 0.00 176.83 177.03 2qio h LEU 125 N 0.62 0.96 -0.05 5.97 6.46 -1.75 0.28 115.31 127.80 2qio h LEU 125 Ca 0.46 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 58.16 2qio h LEU 125 Cb 0.85 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 2qio h LEU 125 CO -0.21 0.62 -0.21 0.74 -0.62 0.00 0.00 178.44 178.76 2qio h THR 126 N 1.09 1.46 -1.00 1.05 2.02 -0.59 -0.94 112.91 116.00 2qio h THR 126 Ca 0.40 -1.67 0.05 0.00 0.77 0.00 0.00 66.41 65.96 2qio h THR 126 Cb 0.16 2.42 -0.06 0.00 -1.74 0.00 0.00 68.15 68.93 2qio h THR 126 CO -0.15 0.47 0.65 0.00 0.37 0.00 0.00 175.52 176.86 2qio h ALA 127 N 0.40 1.36 -0.23 6.16 0.00 -0.84 -0.70 119.26 125.40 2qio h ALA 127 Ca -0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2qio h ALA 127 Cb 0.87 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2qio h ALA 127 CO 0.04 0.50 -0.15 0.28 0.00 0.00 0.00 179.25 179.92 2qio h VAL 128 N 1.22 1.31 -0.36 0.00 2.07 -0.46 -2.96 116.25 117.08 2qio h VAL 128 Ca 0.42 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 2qio h VAL 128 Cb 0.08 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2qio h VAL 128 CO -0.15 0.39 0.22 0.00 0.02 0.00 0.00 177.57 178.05 2qio h ALA 129 N 0.70 1.71 -0.38 1.67 0.00 -0.68 0.25 119.26 122.53 2qio h ALA 129 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2qio h ALA 129 Cb 0.67 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2qio h ALA 129 CO 0.04 0.25 0.07 -0.09 0.00 0.00 0.00 179.25 179.52 2qio h ARG 130 N 0.49 0.63 -0.07 0.00 2.43 -1.00 -1.57 114.38 115.29 2qio h ARG 130 Ca 0.13 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 2qio h ARG 130 Cb -0.02 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2qio h ARG 130 CO -0.03 0.68 -0.34 0.93 -1.51 0.00 0.00 179.97 179.71 2qio h GLU 131 N 0.48 0.35 -0.87 0.20 4.39 -1.28 -3.26 114.58 114.59 2qio h GLU 131 Ca 0.12 -0.28 0.18 0.00 0.34 0.00 0.00 59.36 59.71 2qio h GLU 131 Cb 0.35 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.00 2qio h GLU 131 CO 0.01 0.93 0.57 0.00 -1.16 0.00 0.00 179.01 179.36 2qio h ALA 132 N 0.42 2.08 -0.87 3.43 0.00 -0.50 -0.63 119.26 123.19 2qio h ALA 132 Ca -0.02 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2qio h ALA 132 Cb 0.99 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 2qio h ALA 132 CO 0.07 -0.34 0.55 -0.22 0.00 0.00 0.00 179.25 179.31 2qio h LYS 133 N 0.49 1.00 -0.45 0.00 3.64 -1.32 -1.84 116.57 118.09 2qio h LYS 133 Ca 0.45 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.85 2qio h LYS 133 Cb 0.99 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 2qio h LYS 133 CO -0.18 0.66 0.31 0.87 -2.27 0.00 0.00 179.45 178.84 2qio h LYS 134 N 1.03 0.26 -0.22 1.90 1.57 -1.22 -2.86 116.57 117.02 2qio h LYS 134 Ca 0.37 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2qio h LYS 134 Cb 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2qio h LYS 134 CO -0.15 0.17 0.00 1.33 -0.57 0.00 0.00 179.45 180.23 2qio n VAL 135 N -4.46 0.37 -2.29 0.50 0.24 -0.76 -4.62 118.33 107.29 2qio n VAL 135 Ca 0.07 -0.68 -0.35 0.00 -2.04 0.00 0.00 64.34 61.33 2qio n VAL 135 Cb 0.33 1.05 0.02 0.00 -1.47 0.00 0.00 33.84 33.77 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 1.06 3.41 0.00 7.34 2.81 -0.78 -1.15 117.12 129.81 2qio n MET 136 Ca 0.13 -4.11 0.03 0.00 -1.81 0.00 0.00 57.70 51.94 2qio n MET 136 Cb 0.48 -2.29 0.19 0.00 -0.71 0.00 0.00 33.22 30.89 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 -0.42 0.00 -0.49 2.03 -2.24 -1.26 -1.51 114.28 110.39 2qio n THR 137 Ca 0.46 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.27 2qio n THR 137 Cb 0.38 -0.68 0.04 0.00 -2.10 0.00 0.00 70.33 67.96 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 -0.83 2.09 0.00 -0.78 1.02 -1.26 -5.11 120.64 115.76 2qio n GLU 138 Ca 0.05 -1.68 0.00 0.00 -0.02 0.00 0.00 57.16 55.51 2qio n GLU 138 Cb 0.02 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 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 -0.69 -2.34 0.00 0.62 0.00 -0.57 -5.04 105.19 97.18 2qio n GLY 139 Ca 0.04 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.46 0.39 3.21 -0.02 0.00 -0.84 -4.70 105.19 102.77 2qio n GLY 140 Ca 0.00 -1.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.08 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 2.12 -0.19 1.61 2.47 -0.82 -0.94 114.94 115.19 2qio s ASN 141 Ca 0.00 -0.53 0.01 0.00 0.42 0.00 0.00 52.86 52.76 2qio s ASN 141 Cb 0.00 -0.15 0.02 0.00 -1.45 0.00 0.00 41.25 39.67 2qio s ASN 141 CO 0.00 0.08 -0.18 -0.63 -3.72 0.00 0.00 177.10 172.65 2qio s ILE 142 N -0.90 2.16 0.04 -5.21 1.01 0.35 -1.89 121.20 116.75 2qio s ILE 142 Ca 0.04 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.76 2qio s ILE 142 Cb -0.09 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 2qio s ILE 142 CO 0.02 0.48 -0.05 -0.22 0.00 0.00 0.00 174.94 175.17 2qio s LEU 143 N 1.29 3.27 0.12 2.97 2.96 0.03 -1.69 118.68 127.63 2qio s LEU 143 Ca 0.04 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2qio s LEU 143 Cb -0.14 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 2qio s LEU 143 CO -0.12 0.24 -0.02 0.28 -1.32 0.00 0.00 176.35 175.42 2qio s THR 144 N -1.11 0.48 -0.19 3.68 -1.32 -0.99 0.87 115.64 117.06 2qio s THR 144 Ca 0.20 -1.92 -0.04 0.00 -1.21 0.00 0.00 61.69 58.72 2qio s THR 144 Cb -0.11 -1.85 -0.02 0.00 -1.51 0.00 0.00 72.50 69.01 2qio s THR 144 CO 0.11 -0.70 -0.04 -0.76 -2.21 0.00 0.00 174.62 171.02 2qio s LEU 145 N -3.06 3.03 0.00 9.08 1.43 -1.02 -1.82 118.68 126.33 2qio s LEU 145 Ca 0.17 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 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 -0.02 0.07 0.01 1.07 0.23 0.00 0.00 176.35 177.71 2qio n THR 146 N 4.20 0.00 -3.85 5.49 5.66 -0.32 -4.90 114.28 120.56 2qio n THR 146 Ca -0.18 -0.81 -0.09 0.00 -3.05 0.00 0.00 64.05 59.92 2qio n THR 146 Cb 0.52 0.19 -0.08 0.00 -1.55 0.00 0.00 70.33 69.42 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 -1.73 0.12 0.34 1.09 5.04 -1.26 -2.17 117.35 118.77 2qio s TYR 147 Ca 0.02 -0.48 0.13 0.00 -2.44 0.00 0.00 57.07 54.29 2qio s TYR 147 Cb 0.00 -0.05 0.96 0.00 0.35 0.00 0.00 41.96 43.23 2qio s TYR 147 CO 0.01 -0.51 1.74 1.25 -1.34 0.00 0.00 175.55 176.70 2qio h LEU 148 N 2.96 0.60 -0.48 6.97 5.85 -1.90 -1.03 115.31 128.27 2qio h LEU 148 Ca -0.33 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2qio h LEU 148 Cb 1.20 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.26 2qio h LEU 148 CO 0.54 0.08 0.21 0.61 -0.34 0.00 0.00 178.44 179.54 2qio n GLY 149 N -1.36 -0.50 0.05 3.75 0.00 -1.26 0.46 105.19 106.34 2qio n GLY 149 Ca 0.27 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.48 2qio n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qio n GLY 150 N -1.31 -1.39 0.14 -0.02 0.00 -0.39 -4.18 105.19 98.04 2qio n GLY 150 Ca -0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 2qio n GLY 150 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qio n GLU 151 N -1.93 0.55 -4.30 1.61 1.02 0.17 -4.17 120.64 113.60 2qio n GLU 151 Ca 0.04 0.15 -0.16 0.00 -0.02 0.00 0.00 57.16 57.17 2qio n GLU 151 Cb 0.41 -1.42 -0.10 0.00 -0.02 0.00 0.00 31.44 30.30 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 -2.44 1.32 -0.36 3.49 0.52 -0.80 -5.10 118.95 115.57 2qio s ARG 152 Ca -0.31 -1.69 -0.29 0.00 -0.52 0.00 0.00 55.73 52.93 2qio s ARG 152 Cb 0.09 -0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.25 2qio s ARG 152 CO 0.49 -0.22 1.46 0.08 0.02 0.00 0.00 175.30 177.13 2qio s VAL 153 N -3.68 3.88 -0.17 3.52 1.01 -1.26 -4.12 120.40 119.57 2qio s VAL 153 Ca 0.33 0.93 -0.04 0.00 0.00 0.00 0.00 61.98 63.20 2qio s VAL 153 Cb 0.07 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2qio s VAL 153 CO 0.10 -0.61 -0.04 -0.69 0.00 0.00 0.00 175.10 173.87 2qio s VAL 154 N 5.36 3.78 0.41 2.92 1.01 -1.26 -5.03 120.40 127.59 2qio s VAL 154 Ca 0.64 -0.39 -0.25 0.00 0.00 0.00 0.00 61.98 61.97 2qio s VAL 154 Cb -0.17 -2.66 -0.10 0.00 0.00 0.00 0.00 36.38 33.45 2qio s VAL 154 CO 0.30 0.48 1.14 1.17 0.00 0.00 0.00 175.10 178.20 2qio n LYS 155 N 3.74 1.65 -2.02 2.72 4.81 -1.26 -2.52 118.16 125.29 2qio n LYS 155 Ca -0.17 0.59 -0.19 0.00 -0.87 0.00 0.00 58.31 57.66 2qio n LYS 155 Cb 0.52 -2.20 -0.04 0.00 0.02 0.00 0.00 35.03 33.33 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 0.43 -5.42 -0.05 3.14 3.02 -1.26 -4.82 115.26 110.28 2qio n ASN 156 Ca 0.08 0.19 -0.06 0.00 -0.03 0.00 0.00 54.58 54.76 2qio n ASN 156 Cb 0.39 -4.53 -0.07 0.00 -0.61 0.00 0.00 39.78 34.96 2qio n ASN 156 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qio n TYR 157 N -3.34 0.00 0.00 3.10 9.36 -1.05 -4.70 117.16 120.52 2qio n TYR 157 Ca -0.21 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.01 2qio n TYR 157 Cb 0.65 -0.47 0.00 0.00 -0.63 0.00 0.00 39.34 38.89 2qio n TYR 157 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2qio n ASN 158 N -2.52 0.00 0.11 2.98 3.02 -1.26 -0.40 115.26 117.18 2qio n ASN 158 Ca -0.18 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.50 2qio n ASN 158 Cb 0.78 0.00 0.62 0.00 -0.61 0.00 0.00 39.78 40.57 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 0.90 -0.34 2.41 3.04 -1.93 -0.37 116.25 119.96 2qio h VAL 159 Ca 0.00 -0.03 -0.09 0.00 -1.01 0.00 0.00 66.70 65.56 2qio h VAL 159 Cb 0.00 0.80 -0.02 0.00 -2.01 0.00 0.00 31.29 30.06 2qio h VAL 159 CO 0.00 0.02 -0.18 0.24 -1.01 0.00 0.00 177.57 176.64 2qio h MET 160 N 0.10 0.63 -0.74 4.17 2.86 -1.09 -1.26 114.93 119.61 2qio h MET 160 Ca 0.13 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2qio h MET 160 Cb 0.41 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 2qio h MET 160 CO -0.01 0.78 0.48 0.78 1.06 0.00 0.00 176.91 179.99 2qio h GLY 161 N 0.98 1.05 1.84 8.32 0.00 -0.95 0.29 103.07 114.60 2qio h GLY 161 Ca 0.09 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 46.90 2qio h GLY 161 CO 0.04 0.34 -0.65 -2.08 0.00 0.00 0.00 176.54 174.19 2qio h VAL 162 N 0.95 1.42 -0.21 4.60 2.07 -1.34 -1.25 116.25 122.50 2qio h VAL 162 Ca 0.28 -2.13 -0.16 0.00 0.82 0.00 0.00 66.70 65.51 2qio h VAL 162 Cb -0.05 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2qio h VAL 162 CO -0.08 0.62 -0.52 0.00 0.02 0.00 0.00 177.57 177.60 2qio h ALA 163 N 1.21 0.69 -0.09 1.67 0.00 -0.58 -2.66 119.26 119.50 2qio h ALA 163 Ca -0.01 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 2qio h ALA 163 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2qio h ALA 163 CO 0.10 0.68 -0.38 0.87 0.00 0.00 0.00 179.25 180.52 2qio h LYS 164 N 0.47 0.19 -0.45 0.00 1.79 -0.21 -0.95 116.57 117.41 2qio h LYS 164 Ca 0.02 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 2qio h LYS 164 Cb 1.07 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.70 2qio h LYS 164 CO 0.10 0.55 0.08 0.00 -1.08 0.00 0.00 179.45 179.10 2qio h ALA 165 N 1.45 0.60 -0.59 3.86 0.00 -1.02 0.22 119.26 123.78 2qio h ALA 165 Ca 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2qio h ALA 165 Cb 0.75 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2qio h ALA 165 CO 0.06 0.32 0.23 0.77 0.00 0.00 0.00 179.25 180.62 2qio h SER 166 N 0.61 0.78 -0.27 0.00 0.02 -1.17 0.46 113.55 113.99 2qio h SER 166 Ca 0.14 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2qio h SER 166 Cb 0.37 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2qio h SER 166 CO 0.01 0.71 0.05 0.25 -1.14 0.00 0.00 176.83 176.70 2qio h LEU 167 N 0.85 0.43 -0.86 5.07 5.85 -0.59 0.49 115.31 126.55 2qio h LEU 167 Ca 0.20 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 2qio h LEU 167 Cb 0.17 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2qio h LEU 167 CO -0.02 0.58 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.28 2qio h GLU 168 N 0.26 0.79 -0.10 1.25 5.08 -0.19 -0.15 114.58 121.53 2qio h GLU 168 Ca 0.08 -0.24 -0.15 0.00 -1.00 0.00 0.00 59.36 58.06 2qio h GLU 168 Cb 0.33 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2qio h GLU 168 CO 0.00 0.83 -0.58 0.00 -1.00 0.00 0.00 179.01 178.27 2qio h ALA 169 N 1.21 0.83 -0.87 3.43 0.00 -0.69 -2.77 119.26 120.40 2qio h ALA 169 Ca 0.13 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2qio h ALA 169 Cb 0.52 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2qio h ALA 169 CO 0.03 0.71 0.44 0.77 0.00 0.00 0.00 179.25 181.20 2qio h SER 170 N 0.23 1.11 -0.43 0.00 0.02 0.70 -1.16 113.55 114.03 2qio h SER 170 Ca -0.00 -0.12 0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2qio h SER 170 Cb 1.08 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 63.29 2qio h SER 170 CO 0.09 0.91 0.14 0.58 -1.14 0.00 0.00 176.83 177.42 2qio h VAL 171 N 1.23 0.85 0.34 2.27 2.07 -0.78 0.34 116.25 122.57 2qio h VAL 171 Ca 0.30 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 2qio h VAL 171 Cb 0.08 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2qio h VAL 171 CO -0.04 0.06 -0.16 0.11 0.02 0.00 0.00 177.57 177.55 2qio h LYS 172 N 0.30 -0.44 -0.48 1.57 1.57 -1.20 0.10 116.57 117.99 2qio h LYS 172 Ca 0.20 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 2qio h LYS 172 Cb 0.20 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2qio h LYS 172 CO -0.21 -0.26 0.04 1.88 -0.57 0.00 0.00 179.45 180.33 2qio h TYR 173 N -0.52 0.80 -0.50 -1.35 0.05 -0.97 -1.20 116.97 113.27 2qio h TYR 173 Ca -0.05 -0.10 -0.11 0.00 0.05 0.00 0.00 58.73 58.53 2qio h TYR 173 Cb 0.39 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 2qio h TYR 173 CO -0.04 0.72 -0.12 -0.07 -1.05 0.00 0.00 178.16 177.61 2qio h LEU 174 N 0.72 0.97 -0.98 3.88 3.38 -0.21 -1.40 115.31 121.68 2qio h LEU 174 Ca 0.15 -0.36 0.08 0.00 0.09 0.00 0.00 57.88 57.84 2qio h LEU 174 Cb 0.38 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 2qio h LEU 174 CO 0.01 1.11 0.62 0.00 0.09 0.00 0.00 178.44 180.27 2qio h ALA 175 N 0.90 1.40 -0.12 1.53 0.00 -0.35 0.21 119.26 122.81 2qio h ALA 175 Ca 0.13 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2qio h ALA 175 Cb 0.68 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2qio h ALA 175 CO 0.05 0.35 -0.38 -0.97 0.00 0.00 0.00 179.25 178.30 2qio h ASN 176 N 1.09 0.27 0.10 0.00 -1.24 -0.72 -1.26 115.58 113.82 2qio h ASN 176 Ca 0.44 -0.11 -0.14 0.00 0.71 0.00 0.00 56.30 57.21 2qio h ASN 176 Cb 0.27 -0.07 0.01 0.00 0.73 0.00 0.00 38.32 39.26 2qio h ASN 176 CO -0.20 0.63 -0.62 0.44 -1.29 0.00 0.00 177.43 176.38 2qio h ASP 177 N 0.22 0.33 1.43 1.15 3.32 -0.11 -3.39 116.42 119.37 2qio h ASP 177 Ca 0.02 -0.96 -0.09 0.00 0.02 0.00 0.00 57.03 56.03 2qio h ASP 177 Cb 0.77 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2qio h ASP 177 CO 0.06 1.30 -0.43 -0.07 -1.72 0.00 0.00 179.24 178.38 2qio h LEU 178 N -0.55 0.00 -1.34 1.55 4.07 -0.67 -3.35 115.31 115.03 2qio h LEU 178 Ca -0.11 0.00 0.19 0.00 0.08 0.00 0.00 57.88 58.03 2qio h LEU 178 Cb 1.47 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 43.13 2qio h LEU 178 CO 0.10 0.43 0.60 1.23 -1.08 0.00 0.00 178.44 179.72 2qio h GLY 179 N 3.28 1.17 2.00 0.83 0.00 -0.86 0.16 103.07 109.65 2qio h GLY 179 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2qio h GLY 179 CO 0.06 0.01 0.00 0.06 0.00 0.00 0.00 176.54 176.66 2qio h GLN 180 N 0.56 0.00 -0.70 4.80 3.07 -1.84 -1.51 115.11 119.50 2qio h GLN 180 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.23 2qio h GLN 180 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.56 2qio h GLN 180 CO -0.23 0.00 0.00 0.72 0.09 0.00 0.00 178.83 179.41 2qio n HIS 181 N -2.32 0.93 -0.97 0.06 8.25 0.50 -4.91 115.22 116.77 2qio n HIS 181 Ca 0.02 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 2qio n HIS 181 Cb 0.22 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 1.64 0.45 3.47 -1.41 0.00 -0.57 -4.44 105.19 104.34 2qio n GLY 182 Ca 0.24 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.00 4.00 0.09 -0.61 1.01 -0.77 -1.99 121.20 120.93 2qio s ILE 183 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.35 2qio s ILE 183 Cb 0.00 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 2qio s ILE 183 CO 0.00 0.44 0.25 -0.13 0.00 0.00 0.00 174.94 175.50 2qio s ARG 184 N 0.82 3.46 -0.05 2.79 0.52 -0.12 -2.41 118.95 123.96 2qio s ARG 184 Ca 0.00 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.78 2qio s ARG 184 Cb -0.14 -3.00 0.02 0.00 0.52 0.00 0.00 34.95 32.35 2qio s ARG 184 CO 0.02 0.57 -0.03 0.08 0.02 0.00 0.00 175.30 175.96 2qio s VAL 185 N -1.59 0.49 0.16 3.52 1.01 -1.26 -0.50 120.40 122.23 2qio s VAL 185 Ca 0.36 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 2qio s VAL 185 Cb -0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 2qio s VAL 185 CO 0.28 0.23 0.25 0.20 0.00 0.00 0.00 175.10 176.06 2qio s ASN 186 N 1.18 0.07 0.20 3.32 0.01 -0.68 0.16 114.94 119.21 2qio s ASN 186 Ca -0.07 -0.90 0.07 0.00 -0.71 0.00 0.00 52.86 51.25 2qio s ASN 186 Cb -0.14 0.42 -0.05 0.00 0.41 0.00 0.00 41.25 41.89 2qio s ASN 186 CO -0.01 -0.87 -0.12 0.00 -1.51 0.00 0.00 177.10 174.58 2qio s ALA 187 N -3.97 1.96 -0.13 0.60 0.00 0.65 -2.36 121.76 118.52 2qio s ALA 187 Ca 0.17 -1.67 0.01 0.00 0.00 0.00 0.00 51.96 50.48 2qio s ALA 187 Cb 0.04 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.16 2qio s ALA 187 CO -0.00 0.02 -0.15 0.42 0.00 0.00 0.00 175.76 176.04 2qio s ILE 188 N -3.04 1.58 -0.59 0.00 1.01 -0.75 -1.29 121.20 118.11 2qio s ILE 188 Ca 0.23 -0.67 -0.19 0.00 0.00 0.00 0.00 60.65 60.02 2qio s ILE 188 Cb 0.00 -1.45 0.10 0.00 0.01 0.00 0.00 42.46 41.12 2qio s ILE 188 CO 0.07 0.46 0.71 -0.55 0.00 0.00 0.00 174.94 175.62 2qio s SER 189 N 1.17 6.19 0.36 3.58 0.15 0.29 -1.17 113.70 124.26 2qio s SER 189 Ca -0.02 -1.45 -0.19 0.00 0.70 0.00 0.00 55.95 54.99 2qio s SER 189 Cb -0.14 -2.30 -0.10 0.00 -1.71 0.00 0.00 66.02 61.77 2qio s SER 189 CO -0.05 -1.11 0.85 0.00 1.20 0.00 0.00 173.24 174.12 2qio s ALA 190 N 2.67 3.19 0.79 5.45 0.00 -0.92 -1.42 121.76 131.51 2qio s ALA 190 Ca 0.11 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 2qio s ALA 190 Cb -0.24 -2.98 0.08 0.00 0.00 0.00 0.00 23.12 19.97 2qio s ALA 190 CO 0.06 0.23 1.15 0.20 0.00 0.00 0.00 175.76 177.39 2qio s GLY 191 N -2.13 1.61 0.22 0.00 0.00 -0.78 -4.55 107.32 101.69 2qio s GLY 191 Ca 0.57 -0.70 -0.31 0.00 0.00 0.00 0.00 44.72 44.28 2qio s GLY 191 CO 0.16 -0.22 1.32 -1.05 0.00 0.00 0.00 173.10 173.31 2qio n PRO 192 N -3.24 1.77 -3.80 2.90 -0.02 -1.26 -4.84 135.00 126.51 2qio n PRO 192 Ca 0.08 0.63 -0.13 0.00 -2.02 0.00 0.00 63.50 62.06 2qio n PRO 192 Cb 0.61 -2.23 -0.13 0.00 -0.02 0.00 0.00 33.50 31.73 2qio n PRO 192 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qio s ILE 193 N -0.15 -0.01 -0.65 4.25 1.01 -1.26 -4.29 121.20 120.10 2qio s ILE 193 Ca 0.69 0.04 -0.26 0.00 0.00 0.00 0.00 60.65 61.12 2qio s ILE 193 Cb -0.70 -0.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.54 2qio s ILE 193 CO 0.51 0.02 1.75 -0.13 0.00 0.00 0.00 174.94 177.08 2qio s ARG 194 N 0.33 2.74 0.46 2.79 0.52 -1.26 -4.69 118.95 119.84 2qio s ARG 194 Ca -0.02 0.38 0.03 0.00 -0.52 0.00 0.00 55.73 55.60 2qio s ARG 194 Cb -0.03 -4.39 -0.02 0.00 0.52 0.00 0.00 34.95 31.03 2qio s ARG 194 CO -0.01 -2.64 0.07 0.95 0.02 0.00 0.00 175.30 173.68 2qio s THR 195 N 8.42 0.89 0.14 0.02 -4.23 -1.26 -4.90 115.64 114.73 2qio s THR 195 Ca 0.61 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.95 2qio s THR 195 Cb -0.11 -2.26 -0.01 0.00 1.34 0.00 0.00 72.50 71.46 2qio s THR 195 CO 0.18 0.00 1.80 -0.07 -0.54 0.00 0.00 174.62 175.99 2qio h LEU 196 N 1.57 0.41 -1.57 4.79 3.38 -1.92 -2.34 115.31 119.63 2qio h LEU 196 Ca -0.40 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 2qio h LEU 196 Cb 1.29 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2qio h LEU 196 CO 0.66 0.31 -0.17 0.28 0.09 0.00 0.00 178.44 179.61 2qio h SER 197 N 0.48 0.00 0.55 -0.43 0.02 -1.96 -2.47 113.55 109.74 2qio h SER 197 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2qio h SER 197 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2qio h SER 197 CO -0.03 0.17 0.00 0.00 -1.14 0.00 0.00 176.83 175.83 2qio n ALA 198 N -2.25 1.53 0.34 3.77 0.00 -0.88 -1.48 120.51 121.54 2qio n ALA 198 Ca -0.01 0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.66 2qio n ALA 198 Cb 0.32 -1.34 0.58 0.00 0.00 0.00 0.00 19.45 19.01 2qio n ALA 198 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2qio h LYS 199 N 0.00 0.00 0.00 0.00 1.57 -1.48 -2.11 116.57 114.54 2qio h LYS 199 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qio h LYS 199 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2qio h LYS 199 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2qio n GLY 200 N 0.04 -1.55 3.64 3.86 0.00 -0.55 -4.73 105.19 105.90 2qio n GLY 200 Ca 0.01 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.04 5.26 0.85 1.61 1.01 -0.80 -4.93 120.40 120.36 2qio s VAL 201 Ca 0.13 0.41 -0.13 0.00 0.00 0.00 0.00 61.98 62.39 2qio s VAL 201 Cb 0.16 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 33.00 2qio s VAL 201 CO 0.54 0.26 0.92 0.61 0.00 0.00 0.00 175.10 177.44 2qio n GLY 202 N 4.40 -0.73 3.72 4.51 0.00 -1.26 -3.87 105.19 111.96 2qio n GLY 202 Ca -0.11 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 2qio n GLY 202 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qio n ASP 203 N -2.58 -1.10 -0.30 1.61 -0.08 -1.26 -4.83 116.55 108.00 2qio n ASP 203 Ca 0.11 -0.64 -0.01 0.00 -1.51 0.00 0.00 54.79 52.74 2qio n ASP 203 Cb 0.51 -0.78 0.18 0.00 2.34 0.00 0.00 41.12 43.37 2qio n ASP 203 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2qio h PHE 204 N 0.03 1.11 -0.98 -0.67 3.57 -1.91 -2.71 116.94 115.38 2qio h PHE 204 Ca -0.34 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.29 2qio h PHE 204 Cb 0.69 -0.38 -0.08 0.00 2.79 0.00 0.00 35.95 38.97 2qio h PHE 204 CO 0.21 0.70 0.62 -0.91 -2.23 0.00 0.00 178.31 176.69 2qio h ASN 205 N 1.20 0.92 1.07 0.41 2.35 -1.94 -0.04 115.58 119.55 2qio h ASN 205 Ca 0.33 0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 56.00 2qio h ASN 205 Cb -0.13 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 2qio h ASN 205 CO -0.07 0.51 -0.57 0.77 -1.65 0.00 0.00 177.43 176.41 2qio h SER 206 N 1.00 0.00 -0.19 5.81 4.64 -1.87 -1.10 113.55 121.85 2qio h SER 206 Ca 0.47 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.78 2qio h SER 206 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2qio h SER 206 CO -0.25 0.57 0.04 0.40 -0.87 0.00 0.00 176.83 176.73 2qio h ILE 207 N 0.00 1.21 -0.69 0.95 2.04 -0.84 -1.20 117.51 118.99 2qio h ILE 207 Ca -0.01 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 2qio h ILE 207 Cb 1.27 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 2qio h ILE 207 CO 0.07 0.21 0.24 -0.07 0.00 0.00 0.00 178.15 178.60 2qio h LEU 208 N 0.11 0.98 -0.95 1.44 3.38 -1.01 -2.09 115.31 117.17 2qio h LEU 208 Ca 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2qio h LEU 208 Cb 0.28 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2qio h LEU 208 CO 0.00 0.91 0.53 -0.09 0.09 0.00 0.00 178.44 179.88 2qio h ARG 209 N 0.99 1.26 -0.51 1.13 2.43 -1.06 -1.17 114.38 117.46 2qio h ARG 209 Ca 0.22 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 2qio h ARG 209 Cb 0.26 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2qio h ARG 209 CO -0.01 0.90 -0.04 1.49 -1.51 0.00 0.00 179.97 180.79 2qio h GLU 210 N 1.27 0.93 0.00 0.20 4.22 -0.88 -1.50 114.58 118.82 2qio h GLU 210 Ca 0.33 -0.32 -0.00 0.00 0.08 0.00 0.00 59.36 59.45 2qio h GLU 210 Cb -0.02 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2qio h GLU 210 CO -0.06 0.97 -0.00 0.82 -2.18 0.00 0.00 179.01 178.56 2qio h ILE 211 N 0.79 1.02 -0.59 2.32 1.08 -0.99 0.55 117.51 121.68 2qio h ILE 211 Ca 0.14 -0.07 0.11 0.00 -0.39 0.00 0.00 64.86 64.65 2qio h ILE 211 Cb 0.58 1.07 -0.08 0.00 -3.07 0.00 0.00 36.82 35.32 2qio h ILE 211 CO 0.03 0.02 0.13 -0.08 -0.69 0.00 0.00 178.15 177.56 2qio h GLU 212 N -0.03 0.25 0.00 2.37 4.81 -1.01 0.35 114.58 121.31 2qio h GLU 212 Ca -0.00 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.01 2qio h GLU 212 Cb 0.03 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2qio h GLU 212 CO 0.00 0.17 -0.98 0.93 -0.73 0.00 0.00 179.01 178.39 2qio h GLU 213 N 0.26 0.00 0.00 1.92 5.08 -1.10 -3.36 114.58 117.38 2qio h GLU 213 Ca 0.31 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.61 2qio h GLU 213 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2qio h GLU 213 CO -0.39 0.95 -1.47 0.54 -1.00 0.00 0.00 179.01 177.64 2qio n ARG 214 N -3.33 1.18 -1.76 2.33 1.74 0.17 -4.96 116.66 112.02 2qio n ARG 214 Ca -0.00 -0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 56.63 2qio n ARG 214 Cb 0.93 -1.21 0.02 0.00 -1.02 0.00 0.00 32.46 31.18 2qio n ARG 214 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qio n ALA 215 N -2.00 2.02 -0.29 7.54 0.00 0.12 -4.87 120.51 123.03 2qio n ALA 215 Ca -0.06 0.23 0.12 0.00 0.00 0.00 0.00 53.44 53.74 2qio n ALA 215 Cb 0.44 -2.40 0.29 0.00 0.00 0.00 0.00 19.45 17.78 2qio n ALA 215 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2qio h PRO 216 N 2.19 0.26 -0.00 0.00 0.11 -1.74 0.13 132.00 132.94 2qio h PRO 216 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2qio h PRO 216 Cb 1.27 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qio h PRO 216 CO 0.60 0.17 -0.06 1.28 -0.21 0.00 0.00 178.00 179.79 2qio n LEU 217 N -5.17 0.45 -3.26 2.35 4.77 -0.78 -4.94 117.00 110.42 2qio n LEU 217 Ca 0.21 -0.03 -0.24 0.00 -0.03 0.00 0.00 56.01 55.93 2qio n LEU 217 Cb 0.66 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.65 2qio n LEU 217 CO 0.09 0.08 0.03 0.54 -1.33 0.00 0.00 177.39 176.79 2qio n ARG 218 N -0.86 -4.90 -3.57 3.23 5.12 0.45 -4.96 116.66 111.17 2qio n ARG 218 Ca 0.17 0.75 -0.11 0.00 -1.93 0.00 0.00 57.85 56.74 2qio n ARG 218 Cb 0.25 -5.60 -0.03 0.00 -1.16 0.00 0.00 32.46 25.92 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 -5.94 1.32 0.42 5.56 1.70 -1.26 -4.79 118.95 115.96 2qio s ARG 219 Ca 0.40 -0.65 -0.02 0.00 -0.47 0.00 0.00 55.73 54.99 2qio s ARG 219 Cb -0.19 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.72 2qio s ARG 219 CO 0.49 -0.57 0.67 0.95 -1.08 0.00 0.00 175.30 175.76 2qio s THR 220 N -3.80 4.77 0.76 4.99 -4.23 -1.26 -4.61 115.64 112.26 2qio s THR 220 Ca 0.04 -0.22 -0.11 0.00 -1.18 0.00 0.00 61.69 60.22 2qio s THR 220 Cb -0.01 -3.78 0.05 0.00 1.34 0.00 0.00 72.50 70.10 2qio s THR 220 CO -0.08 -0.62 1.08 -0.89 -0.54 0.00 0.00 174.62 173.57 2qio s THR 221 N -2.54 3.41 0.21 3.99 2.01 -1.26 -4.99 115.64 116.47 2qio s THR 221 Ca 0.45 0.46 0.06 0.00 0.31 0.00 0.00 61.69 62.97 2qio s THR 221 Cb -0.10 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 2qio s THR 221 CO 0.40 -0.60 -0.11 0.42 -0.69 0.00 0.00 174.62 174.04 2qio s THR 222 N -3.11 1.53 0.39 -0.82 -4.23 -1.26 -4.82 115.64 103.32 2qio s THR 222 Ca 0.60 -2.15 0.29 0.00 -1.18 0.00 0.00 61.69 59.25 2qio s THR 222 Cb -0.14 -2.09 0.31 0.00 1.34 0.00 0.00 72.50 71.92 2qio s THR 222 CO 0.55 -0.56 2.07 1.56 -0.54 0.00 0.00 174.62 177.70 2qio h GLN 223 N 2.56 0.00 -0.17 3.99 7.50 -1.95 -2.58 115.11 124.46 2qio h GLN 223 Ca -0.38 0.00 -0.19 0.00 0.50 0.00 0.00 58.65 58.58 2qio h GLN 223 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.75 2qio h GLN 223 CO 0.63 0.11 -0.66 0.93 -1.50 0.00 0.00 178.83 178.34 2qio h GLU 224 N 0.00 0.65 -0.58 1.46 3.07 -1.95 -0.01 114.58 117.23 2qio h GLU 224 Ca -0.00 -0.47 -0.09 0.00 -0.50 0.00 0.00 59.36 58.29 2qio h GLU 224 Cb 0.35 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 2qio h GLU 224 CO 0.01 1.09 -0.00 0.93 -1.40 0.00 0.00 179.01 179.64 2qio h GLU 225 N 0.47 1.01 -0.18 2.33 5.08 -1.87 0.17 114.58 121.59 2qio h GLU 225 Ca -0.02 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 57.98 2qio h GLU 225 Cb 1.25 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 2qio h GLU 225 CO 0.13 0.99 -0.08 0.28 -1.00 0.00 0.00 179.01 179.34 2qio h VAL 226 N 0.93 1.30 -0.73 3.13 2.07 -1.48 -2.50 116.25 118.97 2qio h VAL 226 Ca 0.17 -1.11 0.08 0.00 0.82 0.00 0.00 66.70 66.66 2qio h VAL 226 Cb 0.54 1.66 -0.07 0.00 -1.52 0.00 0.00 31.29 31.90 2qio h VAL 226 CO 0.03 0.33 0.39 1.23 0.02 0.00 0.00 177.57 179.57 2qio h GLY 227 N 0.06 1.09 2.00 2.17 0.00 -0.60 -0.10 103.07 107.69 2qio h GLY 227 Ca 0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 2qio h GLY 227 CO 0.02 0.12 -0.20 -0.55 0.00 0.00 0.00 176.54 175.93 2qio h ASP 228 N 0.69 0.00 0.84 0.19 3.32 -0.60 -0.85 116.42 120.01 2qio h ASP 228 Ca 0.34 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.16 2qio h ASP 228 Cb 0.29 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2qio h ASP 228 CO -0.23 0.20 -1.12 0.74 -1.72 0.00 0.00 179.24 177.11 2qio h THR 229 N 0.00 1.60 -0.56 0.35 2.02 -0.86 -3.00 112.91 112.46 2qio h THR 229 Ca -0.00 -3.26 -0.07 0.00 0.77 0.00 0.00 66.41 63.84 2qio h THR 229 Cb 0.65 2.87 -0.02 0.00 -1.74 0.00 0.00 68.15 69.90 2qio h THR 229 CO 0.03 0.93 0.05 0.00 0.37 0.00 0.00 175.52 176.89 2qio h ALA 230 N 0.84 1.03 -0.16 6.16 0.00 -0.27 -1.76 119.26 125.10 2qio h ALA 230 Ca -0.07 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.61 2qio h ALA 230 Cb 1.86 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 2qio h ALA 230 CO 0.15 0.61 -0.05 0.28 0.00 0.00 0.00 179.25 180.24 2qio h VAL 231 N 0.86 0.82 -0.07 0.00 2.07 -1.12 0.18 116.25 118.98 2qio h VAL 231 Ca 0.17 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.71 2qio h VAL 231 Cb 0.44 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2qio h VAL 231 CO 0.02 0.00 -0.07 0.15 0.02 0.00 0.00 177.57 177.69 2qio h PHE 232 N -0.01 -0.16 -0.20 1.57 3.57 -1.33 -1.33 116.94 119.04 2qio h PHE 232 Ca 0.08 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2qio h PHE 232 Cb 0.14 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2qio h PHE 232 CO -0.20 -0.10 0.04 -0.07 -2.23 0.00 0.00 178.31 175.75 2qio h LEU 233 N -0.08 0.25 0.00 0.59 3.38 -0.88 -1.96 115.31 116.61 2qio h LEU 233 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2qio h LEU 233 Cb 0.16 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2qio h LEU 233 CO -0.12 0.27 -0.50 -0.26 0.09 0.00 0.00 178.44 177.92 2qio h PHE 234 N 0.28 0.00 -4.21 1.13 -1.00 -0.73 -3.45 116.94 108.96 2qio h PHE 234 Ca 0.07 0.00 -0.46 0.00 2.81 0.00 0.00 57.97 60.39 2qio h PHE 234 Cb 0.12 0.00 0.10 0.00 3.61 0.00 0.00 35.95 39.78 2qio h PHE 234 CO 0.00 0.00 0.34 -1.54 -1.61 0.00 0.00 178.31 175.50 2qio s SER 235 N -4.46 4.52 0.17 2.17 1.04 -0.52 -4.75 113.70 111.86 2qio s SER 235 Ca 0.07 0.60 0.24 0.00 0.48 0.00 0.00 55.95 57.33 2qio s SER 235 Cb 0.12 -1.12 0.91 0.00 0.10 0.00 0.00 66.02 66.03 2qio s SER 235 CO 0.70 -1.85 1.72 0.47 0.98 0.00 0.00 173.24 175.26 2qio n ASP 236 N -3.19 0.53 0.26 7.02 8.00 -1.26 -2.75 116.55 125.16 2qio n ASP 236 Ca 0.09 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.29 2qio n ASP 236 Cb 0.61 -0.72 0.71 0.00 -0.02 0.00 0.00 41.12 41.69 2qio n ASP 236 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2qio h LEU 237 N 0.00 0.00 -3.56 0.64 3.38 -1.93 -2.18 115.31 111.65 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 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2qio h LEU 237 CO 0.00 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.65 2qio n ALA 238 N -2.33 3.89 0.34 1.53 0.00 -1.11 -4.63 120.51 118.20 2qio n ALA 238 Ca -0.02 -1.92 0.22 0.00 0.00 0.00 0.00 53.44 51.72 2qio n ALA 238 Cb 0.22 -1.13 1.17 0.00 0.00 0.00 0.00 19.45 19.71 2qio n ALA 238 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2qio h ARG 239 N 4.02 0.00 -0.29 0.00 0.11 -1.56 0.14 114.38 116.80 2qio h ARG 239 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2qio h ARG 239 Cb 1.99 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.07 2qio h ARG 239 CO 0.49 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.97 2qio n GLY 240 N -1.10 1.30 3.36 0.08 0.00 -1.26 -4.88 105.19 102.69 2qio n GLY 240 Ca -0.03 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.63 4.13 0.02 1.61 1.01 0.48 -5.07 120.40 120.95 2qio s VAL 241 Ca 0.36 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 2qio s VAL 241 Cb 0.21 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.43 2qio s VAL 241 CO 0.30 0.01 0.24 0.28 0.00 0.00 0.00 175.10 175.93 2qio s THR 242 N 1.52 0.09 -1.56 3.92 -1.32 -1.26 -4.72 115.64 112.31 2qio s THR 242 Ca 0.02 -0.73 0.00 0.00 -1.21 0.00 0.00 61.69 59.78 2qio s THR 242 Cb -0.18 -0.79 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 2qio s THR 242 CO 0.04 -0.40 0.00 0.61 -2.21 0.00 0.00 174.62 172.66 2qio n GLY 243 N 0.90 1.19 3.91 6.08 0.00 0.42 -4.94 105.19 112.75 2qio n GLY 243 Ca -0.20 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.59 3.31 -0.27 1.61 2.56 -1.25 -4.78 118.70 116.30 2qio s GLU 244 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 54.97 54.30 2qio s GLU 244 Cb 0.00 -2.88 0.08 0.00 2.00 0.00 0.00 34.13 33.33 2qio s GLU 244 CO 0.00 0.50 -0.00 1.21 -0.56 0.00 0.00 175.26 176.41 2qio s ASN 245 N -3.29 4.04 -0.31 -1.70 2.47 -1.26 -0.25 114.94 114.64 2qio s ASN 245 Ca 0.34 -1.45 -0.14 0.00 0.42 0.00 0.00 52.86 52.03 2qio s ASN 245 Cb -0.11 -1.19 -0.03 0.00 -1.45 0.00 0.00 41.25 38.48 2qio s ASN 245 CO 0.27 -0.30 0.32 -0.63 -3.72 0.00 0.00 177.10 173.05 2qio s ILE 246 N 1.36 5.21 -0.23 -5.21 1.01 -0.41 -4.84 121.20 118.09 2qio s ILE 246 Ca 0.01 0.21 -0.27 0.00 0.00 0.00 0.00 60.65 60.60 2qio s ILE 246 Cb -0.19 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.57 2qio s ILE 246 CO -0.10 0.06 0.95 -1.00 0.00 0.00 0.00 174.94 174.85 2qio s HIS 247 N 1.96 3.34 -0.76 3.97 3.76 -1.26 -0.55 115.29 125.75 2qio s HIS 247 Ca 0.11 1.34 0.02 0.00 -0.15 0.00 0.00 55.06 56.39 2qio s HIS 247 Cb -0.16 -3.18 0.18 0.00 1.11 0.00 0.00 32.58 30.54 2qio s HIS 247 CO 0.11 -0.43 0.58 0.08 -0.85 0.00 0.00 174.74 174.22 2qio s VAL 248 N 2.99 3.42 0.00 -0.90 1.01 -0.51 -4.82 120.40 121.60 2qio s VAL 248 Ca 0.40 -4.02 0.15 0.00 0.00 0.00 0.00 61.98 58.51 2qio s VAL 248 Cb -0.15 -3.20 0.25 0.00 0.00 0.00 0.00 36.38 33.28 2qio s VAL 248 CO 0.07 -1.01 1.07 -0.90 0.00 0.00 0.00 175.10 174.33 2qio n ASP 249 N 2.23 0.42 -1.46 3.32 5.75 -1.26 -1.86 116.55 123.69 2qio n ASP 249 Ca 0.19 -1.95 -0.18 0.00 -0.01 0.00 0.00 54.79 52.85 2qio n ASP 249 Cb 0.36 -0.16 -0.06 0.00 -1.03 0.00 0.00 41.12 40.22 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 0.29 -5.13 0.00 -1.12 7.64 -1.26 -2.03 113.62 112.02 2qio n SER 250 Ca -0.01 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.23 2qio n SER 250 Cb 0.95 -4.18 0.00 0.00 -1.01 0.00 0.00 64.21 59.97 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 -0.85 0.81 0.34 0.23 0.00 -1.26 -1.86 105.19 102.60 2qio n GLY 251 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 1.00 -0.24 1.61 3.20 -1.78 -2.30 116.97 118.45 2qio h TYR 252 Ca 0.00 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.97 2qio h TYR 252 Cb 0.00 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 2qio h TYR 252 CO 0.00 0.19 0.42 1.12 -1.64 0.00 0.00 178.16 178.25 2qio h HIS 253 N 0.70 0.00 0.00 -3.82 2.07 -1.92 -0.46 115.15 111.71 2qio h HIS 253 Ca 0.57 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.09 2qio h HIS 253 Cb 0.91 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.89 2qio h HIS 253 CO -0.03 0.00 0.00 -0.84 -3.07 0.00 0.00 177.93 173.99 2qio h ILE 254 N 0.00 0.00 -3.59 6.12 3.07 -1.84 -3.46 117.51 117.81 2qio h ILE 254 Ca 0.11 -0.53 -0.52 0.00 1.55 0.00 0.00 64.86 65.48 2qio h ILE 254 Cb 0.95 1.51 0.04 0.00 -0.27 0.00 0.00 36.82 39.04 2qio h ILE 254 CO -0.00 0.00 0.60 -0.76 -1.05 0.00 0.00 178.15 176.94 2qio s LEU 255 N -4.77 4.45 0.00 0.16 1.43 -0.19 -5.20 118.68 114.56 2qio s LEU 255 Ca 0.10 2.43 0.10 0.00 -1.03 0.00 0.00 54.13 55.73 2qio s LEU 255 Cb 0.11 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.79 2qio s LEU 255 CO 0.59 -0.44 0.83 0.61 0.23 0.00 0.00 176.35 178.17