#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 -0.32 -0.31 0.03 2.13 -1.24 -3.27 120.64 117.67 2qio n GLU 2 Ca 0.00 -0.40 0.13 0.00 0.66 0.00 0.00 57.16 57.56 2qio n GLU 2 Cb 0.00 -0.80 0.37 0.00 0.27 0.00 0.00 31.44 31.28 2qio n GLU 2 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2qio h LEU 3 N 0.00 0.68 -3.07 4.31 6.46 -1.90 -1.99 115.31 119.80 2qio h LEU 3 Ca 0.00 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2qio h LEU 3 Cb 0.26 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 2qio h LEU 3 CO 0.00 0.30 0.00 0.18 -0.62 0.00 0.00 178.44 178.30 2qio n LEU 4 N -4.63 3.56 -4.63 2.25 4.77 0.87 -4.79 117.00 114.41 2qio n LEU 4 Ca 0.20 -2.48 -0.46 0.00 -0.03 0.00 0.00 56.01 53.24 2qio n LEU 4 Cb 0.54 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2qio n LEU 4 CO 0.27 0.72 0.87 1.67 -1.33 0.00 0.00 177.39 179.58 2qio n GLN 5 N 0.17 1.64 -0.77 3.23 7.27 -0.75 -1.45 117.38 126.72 2qio n GLN 5 Ca 0.17 0.58 0.00 0.00 0.07 0.00 0.00 57.00 57.83 2qio n GLN 5 Cb 0.68 -2.16 0.00 0.00 2.41 0.00 0.00 30.24 31.17 2qio n GLN 5 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2qio n GLY 6 N 2.01 1.46 3.84 1.69 0.00 -1.26 -4.99 105.19 107.95 2qio n GLY 6 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.00 3.14 -0.04 1.61 -0.14 -0.53 -4.99 119.74 118.78 2qio s LYS 7 Ca 0.00 -0.60 0.04 0.00 -1.36 0.00 0.00 55.97 54.06 2qio s LYS 7 Cb 0.00 -2.86 -0.00 0.00 -1.68 0.00 0.00 37.83 33.29 2qio s LYS 7 CO 0.00 0.58 -0.18 0.99 -0.76 0.00 0.00 175.35 175.98 2qio s THR 8 N -1.48 1.50 0.04 2.17 2.01 -1.26 -0.17 115.64 118.45 2qio s THR 8 Ca 0.32 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.59 2qio s THR 8 Cb -0.12 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 2qio s THR 8 CO 0.25 0.43 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.15 2qio s PHE 9 N 0.01 0.81 -0.25 4.92 0.40 -0.02 0.47 117.98 124.32 2qio s PHE 9 Ca -0.04 -0.43 -0.11 0.00 -0.60 0.00 0.00 56.93 55.76 2qio s PHE 9 Cb -0.12 -0.48 -0.05 0.00 0.51 0.00 0.00 43.02 42.88 2qio s PHE 9 CO 0.02 -0.04 0.17 0.08 0.70 0.00 0.00 175.22 176.16 2qio s VAL 10 N -1.15 5.35 -0.40 -0.44 1.01 -1.00 -1.23 120.40 122.55 2qio s VAL 10 Ca -0.06 0.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 2qio s VAL 10 Cb -0.09 -3.51 0.07 0.00 0.00 0.00 0.00 36.38 32.85 2qio s VAL 10 CO 0.01 0.32 0.22 -0.69 0.00 0.00 0.00 175.10 174.95 2qio s VAL 11 N 1.25 4.05 -0.18 2.92 1.01 0.16 0.59 120.40 130.19 2qio s VAL 11 Ca 0.07 -1.38 -0.10 0.00 0.00 0.00 0.00 61.98 60.58 2qio s VAL 11 Cb -0.14 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 2qio s VAL 11 CO 0.06 -0.44 0.14 -0.04 0.00 0.00 0.00 175.10 174.82 2qio s MET 12 N 1.40 4.06 0.00 2.72 -1.94 0.41 -2.49 119.30 123.46 2qio s MET 12 Ca 0.02 -0.19 0.00 0.00 -1.71 0.00 0.00 55.69 53.81 2qio s MET 12 Cb -0.22 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.24 2qio s MET 12 CO 0.02 0.38 0.00 0.41 -0.01 0.00 0.00 175.02 175.82 2qio n GLY 13 N 3.25 1.27 3.72 -0.03 0.00 -1.22 -1.93 105.19 110.24 2qio n GLY 13 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 4.39 -0.01 1.61 1.01 -1.26 -4.58 120.40 119.56 2qio s VAL 14 Ca 0.00 1.78 -0.00 0.00 0.00 0.00 0.00 61.98 63.76 2qio s VAL 14 Cb 0.00 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 2qio s VAL 14 CO 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 175.10 175.27 2qio n ALA 15 N 3.58 2.12 -3.69 5.51 0.00 -1.26 -4.80 120.51 121.97 2qio n ALA 15 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2qio n ALA 15 Cb 0.48 0.49 0.02 0.00 0.00 0.00 0.00 19.45 20.45 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 -2.59 -1.91 0.19 0.00 6.94 -1.26 -4.65 115.26 111.98 2qio n ASN 16 Ca -0.01 -2.28 0.18 0.00 -0.02 0.00 0.00 54.58 52.45 2qio n ASN 16 Cb 0.51 3.16 0.80 0.00 -2.36 0.00 0.00 39.78 41.90 2qio n ASN 16 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 2qio h GLN 17 N 0.00 0.00 0.00 -3.83 3.07 -2.00 -0.16 115.11 112.20 2qio h GLN 17 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.46 2qio h GLN 17 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.61 2qio h GLN 17 CO 0.36 0.00 -0.45 0.54 0.09 0.00 0.00 178.83 179.36 2qio n ARG 18 N -3.51 0.04 -1.72 0.06 1.74 -1.26 -4.76 116.66 107.25 2qio n ARG 18 Ca 0.03 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.71 2qio n ARG 18 Cb 0.46 -1.52 0.01 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.57 2.81 -0.03 0.55 7.64 -0.07 -4.69 113.62 118.25 2qio n SER 19 Ca 0.05 1.12 -0.02 0.00 1.01 0.00 0.00 58.87 61.04 2qio n SER 19 Cb 0.35 -1.53 0.25 0.00 -1.01 0.00 0.00 64.21 62.27 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 2.19 1.21 -0.66 0.44 2.04 -1.89 -1.35 117.51 119.50 2qio h ILE 20 Ca -0.49 -0.87 0.08 0.00 1.00 0.00 0.00 64.86 64.58 2qio h ILE 20 Cb 1.29 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 2qio h ILE 20 CO 0.60 0.30 0.44 0.00 0.00 0.00 0.00 178.15 179.49 2qio h ALA 21 N 1.42 1.84 -0.34 1.87 0.00 -1.89 -0.72 119.26 121.44 2qio h ALA 21 Ca 0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 2qio h ALA 21 Cb 0.38 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2qio h ALA 21 CO 0.01 0.04 -0.40 2.35 0.00 0.00 0.00 179.25 181.25 2qio h TRP 22 N 0.59 1.05 -0.81 0.00 -0.00 -1.53 0.92 115.95 116.18 2qio h TRP 22 Ca 0.29 -0.33 0.00 0.00 -0.00 0.00 0.00 58.89 58.85 2qio h TRP 22 Cb 0.37 -0.22 -0.04 0.00 -0.00 0.00 0.00 29.16 29.28 2qio h TRP 22 CO -0.00 1.15 0.51 0.78 -0.00 0.00 0.00 178.44 180.88 2qio h GLY 23 N 0.66 1.15 0.97 2.65 0.00 -0.96 0.55 103.07 108.09 2qio h GLY 23 Ca 0.05 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 2qio h GLY 23 CO 0.10 0.44 0.01 -2.22 0.00 0.00 0.00 176.54 174.86 2qio h ILE 24 N 1.10 1.26 0.35 2.60 2.04 -0.76 -1.16 117.51 122.93 2qio h ILE 24 Ca 0.29 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 2qio h ILE 24 Cb -0.09 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2qio h ILE 24 CO -0.06 0.35 -0.36 0.00 0.00 0.00 0.00 178.15 178.08 2qio h ALA 25 N 0.91 -0.77 -0.44 1.87 0.00 0.01 0.11 119.26 120.95 2qio h ALA 25 Ca 0.13 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2qio h ALA 25 Cb 0.48 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 2qio h ALA 25 CO 0.02 -0.97 0.09 0.00 0.00 0.00 0.00 179.25 178.39 2qio h ARG 26 N -0.74 0.22 -0.41 0.00 3.08 -0.80 0.32 114.38 116.05 2qio h ARG 26 Ca -0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2qio h ARG 26 Cb 0.67 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2qio h ARG 26 CO -0.07 0.14 0.26 0.77 -1.07 0.00 0.00 179.97 180.00 2qio h SER 27 N 0.22 0.48 -0.64 7.04 0.02 -0.93 0.20 113.55 119.93 2qio h SER 27 Ca 0.21 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2qio h SER 27 Cb 0.27 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 2qio h SER 27 CO -0.28 0.37 0.34 -0.07 -1.14 0.00 0.00 176.83 176.05 2qio h LEU 28 N 0.55 0.82 -0.72 5.07 3.38 -0.37 -2.06 115.31 121.98 2qio h LEU 28 Ca 0.15 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2qio h LEU 28 Cb -0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2qio h LEU 28 CO -0.03 0.69 0.29 -0.74 0.09 0.00 0.00 178.44 178.74 2qio h HIS 29 N 0.88 1.09 0.00 1.13 2.76 -0.47 -1.53 115.15 119.02 2qio h HIS 29 Ca 0.22 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2qio h HIS 29 Cb 0.07 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.70 2qio h HIS 29 CO -0.00 0.84 0.00 0.09 -1.30 0.00 0.00 177.93 177.55 2qio n ASN 30 N -4.36 0.59 -1.15 3.26 3.02 0.65 -1.36 115.26 115.92 2qio n ASN 30 Ca 0.06 0.64 0.11 0.00 -0.03 0.00 0.00 54.58 55.35 2qio n ASN 30 Cb 0.18 -0.77 0.28 0.00 -0.61 0.00 0.00 39.78 38.86 2qio n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qio n ALA 31 N -1.74 2.41 -0.48 5.41 0.00 -0.66 -3.79 120.51 121.67 2qio n ALA 31 Ca 0.03 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.39 2qio n ALA 31 Cb 0.24 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 1.50 0.74 3.81 0.00 0.00 -0.46 -0.09 105.19 110.69 2qio n GLY 32 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.77 2.86 0.00 4.61 0.00 -0.72 -4.11 121.76 121.63 2qio s ALA 33 Ca 0.00 0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.20 2qio s ALA 33 Cb 0.00 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.86 2qio s ALA 33 CO 0.00 -0.52 0.43 0.15 0.00 0.00 0.00 175.76 175.83 2qio s LYS 34 N -3.83 3.98 0.10 0.00 1.02 0.76 -4.46 119.74 117.31 2qio s LYS 34 Ca 0.63 0.45 0.10 0.00 0.02 0.00 0.00 55.97 57.18 2qio s LYS 34 Cb -0.14 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 2qio s LYS 34 CO 0.30 0.65 -0.25 -0.51 -0.92 0.00 0.00 175.35 174.62 2qio s LEU 35 N -0.97 2.35 -0.09 3.17 1.43 -1.26 -0.84 118.68 122.46 2qio s LEU 35 Ca 0.24 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2qio s LEU 35 Cb -0.17 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.77 2qio s LEU 35 CO 0.14 0.21 -0.11 -0.63 0.23 0.00 0.00 176.35 176.19 2qio s ILE 36 N -0.99 1.15 0.05 -0.59 1.01 -0.36 -4.06 121.20 117.41 2qio s ILE 36 Ca 0.14 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.39 2qio s ILE 36 Cb -0.10 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 2qio s ILE 36 CO 0.05 0.37 0.04 -0.36 0.00 0.00 0.00 174.94 175.05 2qio s PHE 37 N 1.13 3.13 -0.02 3.97 0.40 -0.23 -0.67 117.98 125.69 2qio s PHE 37 Ca -0.05 0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.39 2qio s PHE 37 Cb -0.14 -1.63 -0.01 0.00 0.51 0.00 0.00 43.02 41.75 2qio s PHE 37 CO -0.02 0.50 -0.13 0.95 0.70 0.00 0.00 175.22 177.21 2qio s THR 38 N -1.26 1.10 0.22 0.64 -4.23 -1.04 -0.11 115.64 110.96 2qio s THR 38 Ca 0.25 -0.56 0.10 0.00 -1.18 0.00 0.00 61.69 60.30 2qio s THR 38 Cb -0.12 -0.94 -0.05 0.00 1.34 0.00 0.00 72.50 72.73 2qio s THR 38 CO 0.17 0.32 -0.19 -0.72 -0.54 0.00 0.00 174.62 173.66 2qio s TYR 39 N -0.10 2.03 0.00 3.99 1.13 0.31 -3.41 117.35 121.31 2qio s TYR 39 Ca 0.01 -0.43 0.00 0.00 -1.41 0.00 0.00 57.07 55.24 2qio s TYR 39 Cb -0.08 -0.94 0.00 0.00 -1.10 0.00 0.00 41.96 39.84 2qio s TYR 39 CO 0.00 0.50 0.52 0.00 -2.51 0.00 0.00 175.55 174.06 2qio n ALA 40 N -0.22 -0.08 -4.45 9.51 0.00 -1.26 0.14 120.51 124.15 2qio n ALA 40 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.11 2qio n ALA 40 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 2qio n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qio n GLY 41 N -0.20 3.57 0.33 0.00 0.00 -1.26 -3.74 105.19 103.88 2qio n GLY 41 Ca 0.00 -2.22 0.06 0.00 0.00 0.00 0.00 46.02 43.86 2qio n GLY 41 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qio h GLU 42 N 0.00 0.81 -0.91 1.61 5.08 -2.02 -2.44 114.58 116.70 2qio h GLU 42 Ca -0.30 -0.05 0.26 0.00 -1.00 0.00 0.00 59.36 58.28 2qio h GLU 42 Cb 0.99 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 2qio h GLU 42 CO 0.48 0.54 0.76 0.00 -1.00 0.00 0.00 179.01 179.78 2qio h ARG 43 N 0.84 0.00 -0.25 2.33 3.08 -2.02 0.04 114.38 118.39 2qio h ARG 43 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 2qio h ARG 43 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2qio h ARG 43 CO -0.28 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.90 2qio n LEU 44 N -3.95 3.14 0.01 3.04 4.32 -0.92 -4.56 117.00 118.08 2qio n LEU 44 Ca 0.19 -1.35 -0.12 0.00 -0.02 0.00 0.00 56.01 54.70 2qio n LEU 44 Cb 1.07 -0.16 -0.08 0.00 -1.62 0.00 0.00 43.42 42.63 2qio n LEU 44 CO 0.35 0.64 0.75 -0.08 -1.22 0.00 0.00 177.39 177.83 2qio h GLU 45 N 4.10 0.02 -0.36 3.23 4.81 -1.04 -2.58 114.58 122.76 2qio h GLU 45 Ca 0.00 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2qio h GLU 45 Cb 0.91 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.22 2qio h GLU 45 CO 0.00 0.27 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.37 2qio h ARG 46 N -0.22 0.01 0.33 1.92 9.65 -1.80 0.28 114.38 124.55 2qio h ARG 46 Ca 0.00 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2qio h ARG 46 Cb 0.25 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 2qio h ARG 46 CO 0.00 0.00 -0.31 -0.91 2.80 0.00 0.00 179.97 181.56 2qio h ASN 47 N 0.01 -0.82 0.31 -3.80 4.21 -1.83 -1.27 115.58 112.39 2qio h ASN 47 Ca 0.17 0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.74 2qio h ASN 47 Cb 0.26 0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 2qio h ASN 47 CO -0.37 -0.44 -0.15 0.58 -1.29 0.00 0.00 177.43 175.76 2qio h VAL 48 N -0.66 0.71 -0.58 2.81 2.07 -1.28 -1.78 116.25 117.54 2qio h VAL 48 Ca -0.02 -0.06 0.11 0.00 0.82 0.00 0.00 66.70 67.56 2qio h VAL 48 Cb 0.59 0.74 -0.11 0.00 -1.52 0.00 0.00 31.29 30.99 2qio h VAL 48 CO -0.04 0.01 -0.20 -0.09 0.02 0.00 0.00 177.57 177.27 2qio h ARG 49 N -0.44 -0.06 0.10 1.57 1.12 -0.92 0.36 114.38 116.11 2qio h ARG 49 Ca -0.04 0.00 0.02 0.00 -1.11 0.00 0.00 59.98 58.85 2qio h ARG 49 Cb 0.34 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.28 2qio h ARG 49 CO 0.07 -0.04 -0.21 0.93 -3.11 0.00 0.00 179.97 177.62 2qio h GLU 50 N -0.06 -0.37 -0.51 0.20 5.08 -1.03 -0.63 114.58 117.27 2qio h GLU 50 Ca 0.27 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.69 2qio h GLU 50 Cb 0.47 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 2qio h GLU 50 CO -0.62 -0.25 0.28 -0.07 -1.00 0.00 0.00 179.01 177.35 2qio h LEU 51 N -0.39 0.44 0.32 1.33 3.38 -0.39 -2.36 115.31 117.64 2qio h LEU 51 Ca 0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2qio h LEU 51 Cb 0.41 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2qio h LEU 51 CO -0.12 0.30 -0.34 0.00 0.09 0.00 0.00 178.44 178.37 2qio h ALA 52 N 1.25 -0.72 -0.66 1.53 0.00 0.03 -1.33 119.26 119.36 2qio h ALA 52 Ca 0.21 -0.11 0.19 0.00 0.00 0.00 0.00 54.91 55.21 2qio h ALA 52 Cb 0.08 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2qio h ALA 52 CO -0.12 -0.94 0.59 -0.44 0.00 0.00 0.00 179.25 178.34 2qio h ASP 53 N -0.70 0.00 -1.51 0.00 3.32 -0.88 -3.16 116.42 113.49 2qio h ASP 53 Ca -0.02 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.37 2qio h ASP 53 Cb 0.64 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.07 2qio h ASP 53 CO -0.08 0.00 1.50 -0.89 -1.72 0.00 0.00 179.24 178.05 2qio s THR 54 N -4.74 4.33 0.00 0.35 2.01 -0.50 -4.05 115.64 113.04 2qio s THR 54 Ca -0.04 -1.52 0.00 0.00 0.31 0.00 0.00 61.69 60.43 2qio s THR 54 Cb 0.18 -5.01 0.00 0.00 0.01 0.00 0.00 72.50 67.68 2qio s THR 54 CO 0.63 -1.81 0.00 0.18 -0.69 0.00 0.00 174.62 172.93 2qio n LEU 55 N 7.73 0.00 0.00 4.42 4.77 -1.20 -4.93 117.00 127.79 2qio n LEU 55 Ca 0.35 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2qio n LEU 55 Cb 0.48 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 2qio n LEU 55 CO 0.64 -0.20 0.00 -0.62 -1.33 0.00 0.00 177.39 175.88 2qio n GLU 56 N -1.85 0.00 -0.18 3.23 1.02 -1.26 -5.11 120.64 116.49 2qio n GLU 56 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 2qio n GLU 56 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 2qio n GLU 56 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qio n GLY 57 N 0.75 -1.85 3.70 0.62 0.00 -1.26 -4.78 105.19 102.37 2qio n GLY 57 Ca 0.00 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 2qio n GLY 57 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qio n GLN 58 N -1.21 1.10 -1.85 1.61 1.13 -1.26 -4.92 117.38 111.97 2qio n GLN 58 Ca 0.00 0.43 -0.37 0.00 -1.94 0.00 0.00 57.00 55.12 2qio n GLN 58 Cb 0.08 -2.44 0.05 0.00 0.11 0.00 0.00 30.24 28.04 2qio n GLN 58 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2qio s GLU 59 N -3.18 2.93 -0.02 -1.09 2.12 -1.26 -5.00 118.70 113.20 2qio s GLU 59 Ca 0.80 2.05 -0.11 0.00 0.36 0.00 0.00 54.97 58.07 2qio s GLU 59 Cb -0.39 -2.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.90 2qio s GLU 59 CO 0.43 -1.30 0.33 -1.12 -0.54 0.00 0.00 175.26 173.05 2qio s SER 60 N -1.28 6.66 0.33 -1.70 0.01 -1.26 -5.06 113.70 111.39 2qio s SER 60 Ca 0.76 0.78 -0.29 0.00 1.31 0.00 0.00 55.95 58.52 2qio s SER 60 Cb -0.36 -2.18 -0.10 0.00 0.21 0.00 0.00 66.02 63.58 2qio s SER 60 CO 0.41 0.32 1.34 -0.76 0.41 0.00 0.00 173.24 174.96 2qio s LEU 61 N -1.22 4.41 -0.25 2.44 1.43 -1.26 -4.90 118.68 119.33 2qio s LEU 61 Ca 0.23 2.73 -0.01 0.00 -1.03 0.00 0.00 54.13 56.04 2qio s LEU 61 Cb -0.15 -3.65 0.08 0.00 0.03 0.00 0.00 46.19 42.50 2qio s LEU 61 CO 0.12 -0.59 0.04 -0.69 0.23 0.00 0.00 176.35 175.46 2qio s VAL 62 N -1.01 0.84 0.07 -1.59 1.01 -1.26 -1.07 120.40 117.38 2qio s VAL 62 Ca 0.50 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.55 2qio s VAL 62 Cb -0.41 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2qio s VAL 62 CO 0.53 -0.37 -0.16 -0.76 0.00 0.00 0.00 175.10 174.33 2qio s LEU 63 N 1.68 2.74 0.18 3.92 1.43 0.84 -4.99 118.68 124.48 2qio s LEU 63 Ca 0.02 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.39 2qio s LEU 63 Cb -0.17 -1.59 -0.08 0.00 0.03 0.00 0.00 46.19 44.38 2qio s LEU 63 CO -0.14 0.22 0.92 -2.16 0.23 0.00 0.00 176.35 175.42 2qio s PRO 64 N -1.75 4.76 -0.38 1.29 0.04 -1.26 -0.53 135.00 137.17 2qio s PRO 64 Ca 0.17 1.42 0.06 0.00 0.04 0.00 0.00 61.00 62.69 2qio s PRO 64 Cb -0.11 -3.32 0.17 0.00 0.04 0.00 0.00 34.50 31.29 2qio s PRO 64 CO 0.08 0.40 0.51 0.00 0.04 0.00 0.00 177.00 178.04 2qio s ASP 66 N 1.83 6.33 0.08 0.00 -1.08 -1.25 -4.40 116.67 118.18 2qio s ASP 66 Ca 0.15 -0.43 0.05 0.00 -0.52 0.00 0.00 52.55 51.79 2qio s ASP 66 Cb -0.09 -2.40 0.25 0.00 -1.46 0.00 0.00 42.92 39.22 2qio s ASP 66 CO -0.09 -1.11 1.09 1.33 0.52 0.00 0.00 175.17 176.91 2qio n VAL 67 N 6.07 1.55 1.27 1.11 0.24 -1.26 -0.40 118.33 126.91 2qio n VAL 67 Ca 0.00 0.56 0.14 0.00 -2.04 0.00 0.00 64.34 62.99 2qio n VAL 67 Cb 0.47 -1.56 0.51 0.00 -1.47 0.00 0.00 33.84 31.80 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 -1.62 0.00 -3.61 3.34 -2.24 -1.26 -4.67 114.28 104.22 2qio n THR 68 Ca -0.00 -0.06 -0.40 0.00 -2.27 0.00 0.00 64.05 61.32 2qio n THR 68 Cb 0.08 0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.22 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 -2.61 5.61 0.24 3.42 3.84 0.46 -4.98 114.94 120.92 2qio s ASN 69 Ca 0.24 -1.68 -0.06 0.00 0.21 0.00 0.00 52.86 51.57 2qio s ASN 69 Cb 0.19 -1.97 0.31 0.00 -0.55 0.00 0.00 41.25 39.23 2qio s ASN 69 CO 0.52 -0.58 1.86 0.44 -2.79 0.00 0.00 177.10 176.55 2qio h ASP 70 N 8.38 0.88 0.30 -4.21 3.32 -1.83 -1.08 116.42 122.18 2qio h ASP 70 Ca -0.21 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 2qio h ASP 70 Cb 1.08 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.45 2qio h ASP 70 CO 0.78 0.58 -0.14 -0.33 -1.72 0.00 0.00 179.24 178.41 2qio h GLU 71 N 1.02 -0.39 0.00 3.56 3.07 -1.95 0.11 114.58 120.00 2qio h GLU 71 Ca 0.36 0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.24 2qio h GLU 71 Cb 0.11 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.10 2qio h GLU 71 CO -0.15 -0.13 -0.06 1.49 -1.40 0.00 0.00 179.01 178.76 2qio h GLU 72 N -0.62 0.00 0.01 2.33 4.81 -1.88 0.30 114.58 119.53 2qio h GLU 72 Ca -0.04 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.01 2qio h GLU 72 Cb 0.44 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.84 2qio h GLU 72 CO 0.07 0.06 -0.72 1.25 -0.73 0.00 0.00 179.01 178.94 2qio h LEU 73 N 0.00 0.62 -0.91 1.64 6.46 -0.98 -1.60 115.31 120.53 2qio h LEU 73 Ca -0.00 -0.77 -0.10 0.00 -0.12 0.00 0.00 57.88 56.89 2qio h LEU 73 Cb 0.12 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 2qio h LEU 73 CO 0.01 1.31 -0.49 0.74 -0.62 0.00 0.00 178.44 179.38 2qio h THR 74 N -0.00 1.21 -0.13 1.05 2.02 -0.02 -2.96 112.91 114.09 2qio h THR 74 Ca -0.09 -1.77 -0.09 0.00 0.77 0.00 0.00 66.41 65.22 2qio h THR 74 Cb 1.43 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 2qio h THR 74 CO 0.14 0.48 -0.27 0.00 0.37 0.00 0.00 175.52 176.24 2qio h ALA 75 N 1.51 0.21 -0.53 6.16 0.00 -0.42 -2.22 119.26 123.97 2qio h ALA 75 Ca -0.00 -0.40 0.07 0.00 0.00 0.00 0.00 54.91 54.58 2qio h ALA 75 Cb 0.95 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2qio h ALA 75 CO 0.06 0.21 0.20 0.00 0.00 0.00 0.00 179.25 179.72 2qio h PHE 77 N 0.38 0.00 -0.01 0.00 0.04 -1.53 -1.92 116.94 113.90 2qio h PHE 77 Ca 0.25 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.91 2qio h PHE 77 Cb 0.27 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.43 2qio h PHE 77 CO -0.16 0.00 -0.45 1.49 -0.60 0.00 0.00 178.31 178.59 2qio h GLU 78 N 0.00 0.32 -0.23 1.51 4.57 -0.49 -1.83 114.58 118.43 2qio h GLU 78 Ca 0.00 -0.33 0.04 0.00 -1.18 0.00 0.00 59.36 57.89 2qio h GLU 78 Cb 0.65 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 2qio h GLU 78 CO 0.00 1.02 -0.01 1.15 -1.18 0.00 0.00 179.01 179.99 2qio h THR 79 N -0.24 0.82 -0.85 0.32 2.02 -0.62 -1.50 112.91 112.87 2qio h THR 79 Ca -0.05 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.15 2qio h THR 79 Cb 1.17 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 68.28 2qio h THR 79 CO 0.09 0.01 0.53 0.40 0.37 0.00 0.00 175.52 176.93 2qio h ILE 80 N 0.06 1.09 -0.45 3.11 2.04 -1.37 0.42 117.51 122.41 2qio h ILE 80 Ca 0.11 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 2qio h ILE 80 Cb 0.15 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 2qio h ILE 80 CO -0.19 0.18 0.05 0.50 0.00 0.00 0.00 178.15 178.69 2qio h LYS 81 N 1.01 0.71 0.16 2.37 3.64 -0.67 0.77 116.57 124.56 2qio h LYS 81 Ca 0.35 -0.16 -0.22 0.00 -1.27 0.00 0.00 60.65 59.36 2qio h LYS 81 Cb 0.08 -0.10 0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2qio h LYS 81 CO -0.14 0.68 -0.98 1.96 -2.27 0.00 0.00 179.45 178.70 2qio h GLN 82 N 0.68 0.34 0.02 1.90 4.20 -0.38 -3.37 115.11 118.49 2qio h GLN 82 Ca 0.14 -0.57 -0.00 0.00 0.06 0.00 0.00 58.65 58.28 2qio h GLN 82 Cb 0.34 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2qio h GLN 82 CO 0.01 1.27 -0.01 0.93 -0.67 0.00 0.00 178.83 180.36 2qio h GLU 83 N -0.28 -0.03 -6.28 1.46 4.39 -0.17 -3.44 114.58 110.23 2qio h GLU 83 Ca -0.18 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 58.92 2qio h GLU 83 Cb 1.74 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 30.30 2qio h GLU 83 CO 0.16 0.45 -0.62 0.08 -1.16 0.00 0.00 179.01 177.92 2qio s VAL 84 N -4.23 4.09 -0.05 3.13 1.01 0.26 -5.05 120.40 119.56 2qio s VAL 84 Ca -0.16 -1.17 -0.15 0.00 0.00 0.00 0.00 61.98 60.50 2qio s VAL 84 Cb 0.02 -3.04 -0.10 0.00 0.00 0.00 0.00 36.38 33.26 2qio s VAL 84 CO 0.66 -0.04 0.60 1.23 0.00 0.00 0.00 175.10 177.54 2qio h GLY 85 N 2.80 -0.36 -3.90 4.51 0.00 -1.78 -3.36 103.07 100.98 2qio h GLY 85 Ca -0.47 0.13 -0.16 0.00 0.00 0.00 0.00 47.33 46.83 2qio h GLY 85 CO 0.61 -0.13 -0.69 -1.59 0.00 0.00 0.00 176.54 174.73 2qio s THR 86 N -3.02 0.26 0.33 4.70 2.01 -1.26 -4.83 115.64 113.84 2qio s THR 86 Ca -0.08 -1.47 0.10 0.00 0.31 0.00 0.00 61.69 60.54 2qio s THR 86 Cb 0.00 -1.06 -0.06 0.00 0.01 0.00 0.00 72.50 71.40 2qio s THR 86 CO 0.28 -0.78 -0.10 0.27 -0.69 0.00 0.00 174.62 173.60 2qio s ILE 87 N -2.89 2.22 -0.24 1.82 -4.36 -0.86 -4.72 121.20 112.17 2qio s ILE 87 Ca -0.01 -2.22 0.08 0.00 -0.26 0.00 0.00 60.65 58.24 2qio s ILE 87 Cb 0.00 -2.61 0.19 0.00 1.25 0.00 0.00 42.46 41.29 2qio s ILE 87 CO -0.06 -0.22 1.13 1.41 0.24 0.00 0.00 174.94 177.44 2qio n HIS 88 N -0.77 0.20 0.00 1.37 8.25 0.18 -4.48 115.22 119.97 2qio n HIS 88 Ca -0.05 -0.65 0.00 0.00 -0.26 0.00 0.00 57.72 56.76 2qio n HIS 88 Cb 0.63 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.65 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 -0.50 1.34 2.90 -1.41 0.00 -1.25 -2.21 105.19 104.06 2qio n GLY 89 Ca 0.08 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.02 -0.36 1.61 1.01 -1.03 -2.36 120.40 117.25 2qio s VAL 90 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 2qio s VAL 90 Cb 0.00 -0.11 0.06 0.00 0.00 0.00 0.00 36.38 36.33 2qio s VAL 90 CO 0.00 0.03 0.13 0.00 0.00 0.00 0.00 175.10 175.26 2qio s ALA 91 N 0.40 3.07 -0.50 5.51 0.00 0.20 -0.66 121.76 129.78 2qio s ALA 91 Ca -0.03 -1.96 -0.19 0.00 0.00 0.00 0.00 51.96 49.78 2qio s ALA 91 Cb -0.04 -2.30 0.06 0.00 0.00 0.00 0.00 23.12 20.83 2qio s ALA 91 CO -0.01 -1.46 0.61 -1.58 0.00 0.00 0.00 175.76 173.31 2qio s HIS 92 N 1.33 3.06 -0.45 0.00 2.46 0.18 -0.45 115.29 121.43 2qio s HIS 92 Ca 0.00 -0.52 0.08 0.00 0.47 0.00 0.00 55.06 55.09 2qio s HIS 92 Cb -0.21 -3.49 0.40 0.00 -0.13 0.00 0.00 32.58 29.15 2qio s HIS 92 CO 0.01 -1.00 1.01 0.00 -2.47 0.00 0.00 174.74 172.29 2qio s ILE 94 N -4.59 2.36 -0.07 0.00 1.01 -1.26 -4.51 121.20 114.14 2qio s ILE 94 Ca 0.44 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 2qio s ILE 94 Cb 0.38 -1.88 0.09 0.00 0.01 0.00 0.00 42.46 41.06 2qio s ILE 94 CO -0.13 0.57 0.80 0.00 0.00 0.00 0.00 174.94 176.18 2qio s ALA 95 N -0.38 -1.82 -0.19 9.38 0.00 -1.26 -4.56 121.76 122.93 2qio s ALA 95 Ca 0.03 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 53.05 2qio s ALA 95 Cb -0.12 -0.15 0.10 0.00 0.00 0.00 0.00 23.12 22.94 2qio s ALA 95 CO 0.02 -0.40 0.87 0.12 0.00 0.00 0.00 175.76 176.37 2qio s PHE 96 N -1.46 -0.56 0.04 0.00 5.36 -1.26 -4.92 117.98 115.17 2qio s PHE 96 Ca -0.06 1.20 -0.19 0.00 -0.96 0.00 0.00 56.93 56.92 2qio s PHE 96 Cb -0.00 0.37 0.04 0.00 -0.34 0.00 0.00 43.02 43.09 2qio s PHE 96 CO 0.04 -0.38 0.42 0.00 -1.46 0.00 0.00 175.22 173.84 2qio s ALA 97 N -0.40 -1.04 -0.06 11.12 0.00 -1.26 -4.06 121.76 126.05 2qio s ALA 97 Ca -0.02 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 2qio s ALA 97 Cb -0.03 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 2qio s ALA 97 CO 0.01 -0.45 1.23 -0.80 0.00 0.00 0.00 175.76 175.75 2qio s ASN 98 N -1.96 7.02 0.49 0.00 0.01 -1.26 -4.88 114.94 114.35 2qio s ASN 98 Ca -0.06 1.83 0.34 0.00 -0.71 0.00 0.00 52.86 54.26 2qio s ASN 98 Cb -0.01 -2.56 1.47 0.00 0.41 0.00 0.00 41.25 40.57 2qio s ASN 98 CO -0.02 -0.62 1.69 0.03 -1.51 0.00 0.00 177.10 176.68 2qio h ARG 99 N 7.59 0.09 -0.77 -0.60 3.08 -1.99 0.29 114.38 122.08 2qio h ARG 99 Ca -0.34 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 59.83 2qio h ARG 99 Cb 1.16 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.10 2qio h ARG 99 CO 0.89 0.06 0.37 -0.44 -1.07 0.00 0.00 179.97 179.78 2qio h ASP 100 N 0.10 0.43 0.87 7.04 5.19 -1.97 -0.79 116.42 127.29 2qio h ASP 100 Ca 0.73 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 57.22 2qio h ASP 100 Cb 2.55 0.02 0.00 0.00 0.18 0.00 0.00 39.33 42.07 2qio h ASP 100 CO -0.19 0.21 0.00 0.47 -3.12 0.00 0.00 179.24 176.61 2qio n ASP 101 N -4.90 0.14 -0.78 6.45 8.00 0.10 -3.03 116.55 122.53 2qio n ASP 101 Ca 0.14 0.52 0.07 0.00 0.71 0.00 0.00 54.79 56.23 2qio n ASP 101 Cb 0.36 -0.56 0.20 0.00 -0.02 0.00 0.00 41.12 41.11 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 -1.64 2.27 -4.61 0.64 4.77 -0.30 -4.30 117.00 113.83 2qio n LEU 102 Ca 0.05 -1.12 -0.24 0.00 -0.03 0.00 0.00 56.01 54.67 2qio n LEU 102 Cb 0.29 -0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 2qio n LEU 102 CO 0.23 0.56 -0.34 -0.54 -1.33 0.00 0.00 177.39 175.97 2qio s LYS 103 N -1.46 2.05 2.96 3.23 1.02 -1.17 -4.62 119.74 121.75 2qio s LYS 103 Ca 0.29 -1.70 0.00 0.00 0.02 0.00 0.00 55.97 54.59 2qio s LYS 103 Cb 0.15 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.52 2qio s LYS 103 CO 0.20 0.21 0.00 0.41 -0.92 0.00 0.00 175.35 175.25 2qio n GLY 104 N -0.89 2.04 3.81 -3.33 0.00 -1.26 -4.71 105.19 100.85 2qio n GLY 104 Ca -0.05 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 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 4.20 0.35 1.61 2.02 -1.26 -4.82 118.70 120.79 2qio s GLU 105 Ca 0.00 0.72 0.09 0.00 0.02 0.00 0.00 54.97 55.81 2qio s GLU 105 Cb 0.00 -3.25 0.63 0.00 0.10 0.00 0.00 34.13 31.62 2qio s GLU 105 CO 0.00 0.62 1.80 0.35 0.02 0.00 0.00 175.26 178.05 2qio h PHE 106 N 4.63 0.17 -0.00 1.61 3.57 -1.89 -2.79 116.94 122.24 2qio h PHE 106 Ca -0.49 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 60.97 2qio h PHE 106 Cb 1.21 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.91 2qio h PHE 106 CO 0.68 0.47 0.03 -0.24 -2.23 0.00 0.00 178.31 177.02 2qio h VAL 107 N 0.14 0.07 -0.36 1.41 3.04 -1.98 -1.58 116.25 116.99 2qio h VAL 107 Ca 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 2qio h VAL 107 Cb 0.64 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 2qio h VAL 107 CO 0.05 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.08 2qio n ASP 108 N -3.17 2.36 -4.73 3.17 8.00 -1.05 -4.94 116.55 116.18 2qio n ASP 108 Ca -0.03 -1.91 -0.42 0.00 0.71 0.00 0.00 54.79 53.14 2qio n ASP 108 Cb 0.10 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 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 -1.52 2.76 0.61 -3.53 2.01 -0.60 -4.99 115.64 110.38 2qio s THR 109 Ca 0.32 0.59 -0.16 0.00 0.31 0.00 0.00 61.69 62.75 2qio s THR 109 Cb 0.17 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 2qio s THR 109 CO 0.24 0.07 1.07 -0.94 -0.69 0.00 0.00 174.62 174.37 2qio s SER 110 N 0.74 5.65 0.26 3.53 1.04 -1.26 -4.87 113.70 118.79 2qio s SER 110 Ca 0.64 1.86 -0.04 0.00 0.48 0.00 0.00 55.95 58.88 2qio s SER 110 Cb -0.42 -2.54 0.31 0.00 0.10 0.00 0.00 66.02 63.48 2qio s SER 110 CO 0.37 -1.26 1.85 -0.09 0.98 0.00 0.00 173.24 175.09 2qio h ARG 111 N 0.36 1.06 0.22 4.02 2.43 -1.99 -0.30 114.38 120.18 2qio h ARG 111 Ca -0.47 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 58.53 2qio h ARG 111 Cb 1.23 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2qio h ARG 111 CO 0.57 0.83 -0.11 -0.44 -1.51 0.00 0.00 179.97 179.31 2qio h ASP 112 N 1.05 -0.25 -0.15 -3.80 5.19 -1.98 0.12 116.42 116.60 2qio h ASP 112 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 2qio h ASP 112 Cb 0.14 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 2qio h ASP 112 CO -0.03 -0.17 0.09 1.23 -3.12 0.00 0.00 179.24 177.24 2qio h GLY 113 N -0.30 0.21 0.85 2.75 0.00 -1.85 0.33 103.07 105.06 2qio h GLY 113 Ca -0.03 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.26 2qio h GLY 113 CO 0.05 0.07 0.26 -2.75 0.00 0.00 0.00 176.54 174.17 2qio h PHE 114 N 0.19 0.49 0.00 5.60 3.04 -0.98 -0.81 116.94 124.47 2qio h PHE 114 Ca 0.06 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.92 2qio h PHE 114 Cb -0.01 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.33 2qio h PHE 114 CO -0.08 0.27 -0.52 -0.07 -2.02 0.00 0.00 178.31 175.89 2qio h LEU 115 N 0.52 0.00 -0.24 0.59 3.38 -0.79 -2.24 115.31 116.53 2qio h LEU 115 Ca 0.19 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 2qio h LEU 115 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2qio h LEU 115 CO -0.10 0.52 -0.17 0.25 0.09 0.00 0.00 178.44 179.03 2qio h LEU 116 N 0.00 0.57 -0.71 1.67 5.85 -0.26 -0.84 115.31 121.59 2qio h LEU 116 Ca -0.01 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 2qio h LEU 116 Cb 0.94 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2qio h LEU 116 CO 0.07 0.89 0.29 0.00 -0.34 0.00 0.00 178.44 179.35 2qio h ALA 117 N 0.70 0.92 0.14 1.25 0.00 -1.10 -1.15 119.26 120.02 2qio h ALA 117 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2qio h ALA 117 Cb 0.71 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2qio h ALA 117 CO 0.05 0.54 -0.06 1.96 0.00 0.00 0.00 179.25 181.73 2qio h GLN 118 N 1.02 -0.17 -0.00 0.00 1.08 -1.34 0.14 115.11 115.82 2qio h GLN 118 Ca 0.24 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.48 2qio h GLN 118 Cb 0.20 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 2qio h GLN 118 CO -0.02 -0.01 -0.24 -0.97 -0.95 0.00 0.00 178.83 176.64 2qio h ASN 119 N -0.30 -0.71 0.12 1.46 -1.24 -0.94 0.49 115.58 114.46 2qio h ASN 119 Ca -0.02 0.10 -0.21 0.00 0.71 0.00 0.00 56.30 56.88 2qio h ASN 119 Cb 0.24 0.29 0.02 0.00 0.73 0.00 0.00 38.32 39.61 2qio h ASN 119 CO 0.03 -0.31 -0.88 0.40 -1.29 0.00 0.00 177.43 175.38 2qio h ILE 120 N -0.38 1.45 0.00 2.57 2.04 -1.20 -2.34 117.51 119.65 2qio h ILE 120 Ca 0.06 -2.45 0.00 0.00 1.00 0.00 0.00 64.86 63.47 2qio h ILE 120 Cb 0.46 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 2qio h ILE 120 CO -0.22 0.71 -0.43 -1.20 0.00 0.00 0.00 178.15 177.01 2qio n SER 121 N -4.07 0.46 0.05 1.72 7.64 0.47 -4.29 113.62 115.60 2qio n SER 121 Ca -0.13 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2qio n SER 121 Cb 0.84 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 2qio n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qio n ALA 122 N -1.58 3.00 -0.29 -0.43 0.00 -0.23 -4.70 120.51 116.28 2qio n ALA 122 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 2qio n ALA 122 Cb 0.36 0.18 0.13 0.00 0.00 0.00 0.00 19.45 20.13 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 1.14 -0.97 0.00 3.57 -0.96 -2.75 116.94 116.98 2qio h PHE 123 Ca 0.00 -0.03 0.30 0.00 3.53 0.00 0.00 57.97 61.76 2qio h PHE 123 Cb 0.26 -0.36 -0.15 0.00 2.79 0.00 0.00 35.95 38.49 2qio h PHE 123 CO 0.00 0.80 0.48 0.66 -2.23 0.00 0.00 178.31 178.01 2qio h SER 124 N 1.16 0.37 -0.66 0.41 4.64 -1.60 0.31 113.55 118.18 2qio h SER 124 Ca 0.29 0.19 0.13 0.00 -0.47 0.00 0.00 61.79 61.94 2qio h SER 124 Cb 0.05 0.17 -0.10 0.00 -0.31 0.00 0.00 62.40 62.21 2qio h SER 124 CO -0.04 -0.14 0.14 0.25 -0.87 0.00 0.00 176.83 176.17 2qio h LEU 125 N 0.30 -0.02 -0.22 5.97 6.46 -1.78 0.58 115.31 126.59 2qio h LEU 125 Ca 0.68 0.13 -0.19 0.00 -0.12 0.00 0.00 57.88 58.38 2qio h LEU 125 Cb 1.51 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.62 2qio h LEU 125 CO -0.62 -0.02 -0.60 0.74 -0.62 0.00 0.00 178.44 177.33 2qio h THR 126 N 0.25 1.29 -0.28 1.05 2.02 -0.56 0.21 112.91 116.89 2qio h THR 126 Ca 0.36 -1.79 0.02 0.00 0.77 0.00 0.00 66.41 65.76 2qio h THR 126 Cb 0.57 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 2qio h THR 126 CO -0.46 0.57 0.15 0.00 0.37 0.00 0.00 175.52 176.15 2qio h ALA 127 N 0.62 0.35 -0.66 6.16 0.00 -0.34 0.15 119.26 125.54 2qio h ALA 127 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2qio h ALA 127 Cb 1.21 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2qio h ALA 127 CO 0.13 -0.24 0.22 0.28 0.00 0.00 0.00 179.25 179.64 2qio h VAL 128 N 0.31 1.25 -0.80 0.00 2.07 0.17 -2.92 116.25 116.33 2qio h VAL 128 Ca 0.12 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2qio h VAL 128 Cb 0.03 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 2qio h VAL 128 CO -0.07 0.32 0.46 0.00 0.02 0.00 0.00 177.57 178.30 2qio h ALA 129 N 1.09 1.02 -0.75 1.67 0.00 -0.35 0.37 119.26 122.31 2qio h ALA 129 Ca 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2qio h ALA 129 Cb 0.27 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2qio h ALA 129 CO -0.01 0.51 0.40 -0.09 0.00 0.00 0.00 179.25 180.06 2qio h ARG 130 N 1.10 1.04 -0.02 0.00 2.43 -0.80 -0.55 114.38 117.58 2qio h ARG 130 Ca 0.28 -0.12 -0.10 0.00 -0.81 0.00 0.00 59.98 59.24 2qio h ARG 130 Cb -0.00 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.35 2qio h ARG 130 CO -0.05 0.77 -0.36 0.93 -1.51 0.00 0.00 179.97 179.75 2qio h GLU 131 N 1.04 0.28 -0.97 0.20 4.39 -1.30 -3.29 114.58 114.94 2qio h GLU 131 Ca 0.26 -0.28 0.15 0.00 0.34 0.00 0.00 59.36 59.84 2qio h GLU 131 Cb 0.04 0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 28.68 2qio h GLU 131 CO -0.04 0.97 0.61 0.00 -1.16 0.00 0.00 179.01 179.38 2qio h ALA 132 N 0.32 1.70 -0.95 3.43 0.00 0.01 -0.96 119.26 122.81 2qio h ALA 132 Ca -0.04 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.05 2qio h ALA 132 Cb 1.08 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 2qio h ALA 132 CO 0.07 0.01 0.60 -0.22 0.00 0.00 0.00 179.25 179.72 2qio h LYS 133 N 0.80 0.80 -0.58 0.00 3.64 -1.16 -0.71 116.57 119.35 2qio h LYS 133 Ca 0.51 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.80 2qio h LYS 133 Cb 0.72 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 2qio h LYS 133 CO -0.28 0.53 0.21 0.87 -2.27 0.00 0.00 179.45 178.51 2qio h LYS 134 N 0.82 0.85 -0.46 1.90 1.57 -1.27 -2.90 116.57 117.09 2qio h LYS 134 Ca 0.48 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2qio h LYS 134 Cb 0.64 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2qio h LYS 134 CO -0.25 0.72 0.00 1.33 -0.57 0.00 0.00 179.45 180.68 2qio n VAL 135 N -4.31 0.66 -1.74 0.50 0.24 -0.75 -4.60 118.33 108.32 2qio n VAL 135 Ca 0.05 -0.83 -0.35 0.00 -2.04 0.00 0.00 64.34 61.17 2qio n VAL 135 Cb 0.18 0.83 0.05 0.00 -1.47 0.00 0.00 33.84 33.43 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 1.39 2.89 -1.19 7.34 2.81 -0.35 -2.03 117.12 127.99 2qio n MET 136 Ca 0.19 -3.60 -0.30 0.00 -1.81 0.00 0.00 57.70 52.18 2qio n MET 136 Cb 0.58 -2.28 0.12 0.00 -0.71 0.00 0.00 33.22 30.93 2qio n MET 136 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2qio s THR 137 N -4.97 2.95 0.00 2.03 -4.23 -1.26 -1.57 115.64 108.59 2qio s THR 137 Ca 0.57 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 2qio s THR 137 Cb 0.46 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.54 2qio s THR 137 CO -0.17 -0.40 0.00 -0.62 -0.54 0.00 0.00 174.62 172.88 2qio n GLU 138 N -3.74 0.00 0.00 3.99 1.02 -1.26 -4.84 120.64 115.81 2qio n GLU 138 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2qio n GLU 138 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 -1.88 -1.94 0.00 0.62 0.00 -0.61 -5.02 105.19 96.35 2qio n GLY 139 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 0.23 3.03 -0.02 0.00 -0.88 -4.58 105.19 102.97 2qio n GLY 140 Ca 0.00 -1.47 -0.17 0.00 0.00 0.00 0.00 46.02 44.38 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 0.98 -0.16 1.61 2.47 -0.94 0.13 114.94 115.03 2qio s ASN 141 Ca 0.00 -0.29 -0.01 0.00 0.42 0.00 0.00 52.86 52.98 2qio s ASN 141 Cb 0.00 -0.06 -0.01 0.00 -1.45 0.00 0.00 41.25 39.73 2qio s ASN 141 CO 0.00 0.00 -0.11 -0.63 -3.72 0.00 0.00 177.10 172.65 2qio s ILE 142 N -0.59 3.15 0.05 -5.21 1.01 0.11 -2.46 121.20 117.26 2qio s ILE 142 Ca -0.01 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.11 2qio s ILE 142 Cb -0.05 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 2qio s ILE 142 CO 0.00 0.50 -0.20 -0.22 0.00 0.00 0.00 174.94 175.02 2qio s LEU 143 N 0.66 2.54 0.07 2.97 2.96 0.17 -1.32 118.68 126.73 2qio s LEU 143 Ca -0.06 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.37 2qio s LEU 143 Cb -0.15 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 2qio s LEU 143 CO 0.02 0.25 -0.01 0.28 -1.32 0.00 0.00 176.35 175.57 2qio s THR 144 N -0.93 0.21 -0.11 3.68 -1.32 -1.01 0.48 115.64 116.65 2qio s THR 144 Ca 0.14 -1.84 -0.00 0.00 -1.21 0.00 0.00 61.69 58.78 2qio s THR 144 Cb -0.10 -1.64 -0.02 0.00 -1.51 0.00 0.00 72.50 69.22 2qio s THR 144 CO 0.05 -0.88 -0.09 -0.76 -2.21 0.00 0.00 174.62 170.74 2qio s LEU 145 N -2.95 3.02 0.00 9.08 1.43 -0.93 -1.52 118.68 126.81 2qio s LEU 145 Ca 0.11 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2qio s LEU 145 Cb 0.08 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 2qio s LEU 145 CO -0.07 0.25 0.06 1.07 0.23 0.00 0.00 176.35 177.89 2qio n THR 146 N 2.96 0.00 -3.89 5.49 5.66 0.28 -4.92 114.28 119.86 2qio n THR 146 Ca -0.18 -1.12 -0.10 0.00 -3.05 0.00 0.00 64.05 59.60 2qio n THR 146 Cb 0.53 0.39 -0.09 0.00 -1.55 0.00 0.00 70.33 69.61 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 -2.24 0.12 0.47 1.09 5.04 -1.26 -1.62 117.35 118.95 2qio s TYR 147 Ca 0.09 -0.35 0.29 0.00 -2.44 0.00 0.00 57.07 54.66 2qio s TYR 147 Cb 0.00 -0.09 1.37 0.00 0.35 0.00 0.00 41.96 43.59 2qio s TYR 147 CO 0.06 -0.37 1.73 1.25 -1.34 0.00 0.00 175.55 176.89 2qio h LEU 148 N 3.73 0.23 -1.37 6.97 5.85 -1.90 0.12 115.31 128.93 2qio h LEU 148 Ca -0.32 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2qio h LEU 148 Cb 1.19 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2qio h LEU 148 CO 0.48 -0.01 0.21 1.23 -0.34 0.00 0.00 178.44 180.01 2qio h GLY 149 N 0.17 0.00 1.38 3.75 0.00 -1.94 0.35 103.07 106.78 2qio h GLY 149 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.99 2qio h GLY 149 CO -0.21 0.00 -0.46 0.61 0.00 0.00 0.00 176.54 176.48 2qio n GLY 150 N -1.26 -1.49 0.10 4.60 0.00 0.40 -4.02 105.19 103.52 2qio n GLY 150 Ca -0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.14 0.84 -4.10 1.61 1.02 0.11 -4.22 120.64 113.75 2qio n GLU 151 Ca 0.04 0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 57.11 2qio n GLU 151 Cb 0.43 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.31 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 -2.46 1.46 -0.30 3.49 0.52 -0.41 -5.12 118.95 116.13 2qio s ARG 152 Ca -0.17 -1.50 -0.28 0.00 -0.52 0.00 0.00 55.73 53.26 2qio s ARG 152 Cb 0.06 0.38 0.01 0.00 0.52 0.00 0.00 34.95 35.93 2qio s ARG 152 CO 0.68 -0.56 1.01 0.08 0.02 0.00 0.00 175.30 176.53 2qio s VAL 153 N -3.93 4.60 -0.14 3.52 1.01 -1.26 -4.03 120.40 120.17 2qio s VAL 153 Ca 0.31 1.67 -0.01 0.00 0.00 0.00 0.00 61.98 63.95 2qio s VAL 153 Cb 0.03 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 2qio s VAL 153 CO 0.12 -0.38 -0.10 -0.69 0.00 0.00 0.00 175.10 174.06 2qio s VAL 154 N 3.42 3.29 0.18 2.92 1.01 -1.26 -5.04 120.40 124.92 2qio s VAL 154 Ca 0.42 -0.57 -0.33 0.00 0.00 0.00 0.00 61.98 61.50 2qio s VAL 154 Cb -0.13 -2.41 -0.15 0.00 0.00 0.00 0.00 36.38 33.70 2qio s VAL 154 CO 0.13 0.51 1.37 0.29 0.00 0.00 0.00 175.10 177.40 2qio n LYS 155 N 3.61 1.67 -0.09 2.72 5.02 -1.26 -1.94 118.16 127.88 2qio n LYS 155 Ca -0.18 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 2qio n LYS 155 Cb 0.52 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 2qio n LYS 155 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qio n ASN 156 N 2.46 0.00 0.09 4.39 3.02 -1.26 -4.83 115.26 119.13 2qio n ASN 156 Ca 0.15 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.64 2qio n ASN 156 Cb 0.27 -0.42 0.09 0.00 -0.61 0.00 0.00 39.78 39.11 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 0.25 0.00 3.10 3.20 -1.65 -3.41 116.97 118.46 2qio h TYR 157 Ca 0.00 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.76 2qio h TYR 157 Cb 0.00 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.23 2qio h TYR 157 CO 0.00 0.82 0.00 0.09 -1.64 0.00 0.00 178.16 177.43 2qio n ASN 158 N -3.79 0.00 0.26 -2.11 3.02 -1.26 -0.51 115.26 110.87 2qio n ASN 158 Ca -0.02 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.62 2qio n ASN 158 Cb 0.68 0.00 0.68 0.00 -0.61 0.00 0.00 39.78 40.53 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 0.87 -0.01 2.41 3.04 -1.88 -0.41 116.25 120.27 2qio h VAL 159 Ca 0.00 -0.21 -0.14 0.00 -1.01 0.00 0.00 66.70 65.35 2qio h VAL 159 Cb 0.00 1.12 -0.02 0.00 -2.01 0.00 0.00 31.29 30.38 2qio h VAL 159 CO 0.00 0.06 -0.64 -0.03 -1.01 0.00 0.00 177.57 175.95 2qio h MET 160 N 0.00 0.06 -0.55 4.17 1.85 -1.16 -1.65 114.93 117.66 2qio h MET 160 Ca -0.00 -0.04 -0.04 0.00 -0.61 0.00 0.00 59.70 59.01 2qio h MET 160 Cb 0.11 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.13 2qio h MET 160 CO 0.01 0.68 0.20 0.78 -0.40 0.00 0.00 176.91 178.18 2qio h GLY 161 N 1.81 0.89 1.63 1.39 0.00 -0.86 0.15 103.07 108.08 2qio h GLY 161 Ca -0.01 -0.50 -0.12 0.00 0.00 0.00 0.00 47.33 46.71 2qio h GLY 161 CO 0.09 0.47 -0.38 -2.08 0.00 0.00 0.00 176.54 174.63 2qio h VAL 162 N 0.75 1.30 -0.32 4.60 2.07 -1.22 -2.01 116.25 121.42 2qio h VAL 162 Ca 0.18 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.17 2qio h VAL 162 Cb 0.23 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2qio h VAL 162 CO -0.01 0.47 0.09 0.00 0.02 0.00 0.00 177.57 178.13 2qio h ALA 163 N 1.25 0.41 0.00 1.67 0.00 -0.66 -2.50 119.26 119.44 2qio h ALA 163 Ca 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2qio h ALA 163 Cb 0.83 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2qio h ALA 163 CO 0.07 0.06 -0.15 0.87 0.00 0.00 0.00 179.25 180.09 2qio h LYS 164 N 0.35 0.00 -0.29 0.00 1.79 -0.63 -0.34 116.57 117.46 2qio h LYS 164 Ca 0.10 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.47 2qio h LYS 164 Cb 0.26 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 2qio h LYS 164 CO -0.00 0.15 -0.25 0.00 -1.08 0.00 0.00 179.45 178.28 2qio h ALA 165 N 1.85 1.04 -0.10 3.86 0.00 -0.92 0.15 119.26 125.14 2qio h ALA 165 Ca -0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 2qio h ALA 165 Cb 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2qio h ALA 165 CO 0.02 0.58 -0.23 0.77 0.00 0.00 0.00 179.25 180.39 2qio h SER 166 N 0.49 0.37 -0.34 0.00 0.02 -1.10 -1.29 113.55 111.70 2qio h SER 166 Ca 0.07 -0.57 0.07 0.00 -0.84 0.00 0.00 61.79 60.51 2qio h SER 166 Cb 0.69 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.06 2qio h SER 166 CO 0.05 0.88 -0.06 0.25 -1.14 0.00 0.00 176.83 176.81 2qio h LEU 167 N -0.11 -0.27 -1.26 5.07 5.85 -0.86 0.80 115.31 124.53 2qio h LEU 167 Ca 0.00 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2qio h LEU 167 Cb 0.82 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 2qio h LEU 167 CO 0.05 -0.09 0.24 -0.33 -0.34 0.00 0.00 178.44 177.97 2qio h GLU 168 N 0.02 0.75 -0.03 1.25 5.08 -0.59 0.16 114.58 121.23 2qio h GLU 168 Ca 0.17 -0.10 -0.22 0.00 -1.00 0.00 0.00 59.36 58.21 2qio h GLU 168 Cb 0.25 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2qio h GLU 168 CO -0.33 0.60 -0.90 0.00 -1.00 0.00 0.00 179.01 177.38 2qio h ALA 169 N 1.52 0.39 -0.83 3.43 0.00 0.01 -3.05 119.26 120.72 2qio h ALA 169 Ca 0.19 -0.68 0.02 0.00 0.00 0.00 0.00 54.91 54.43 2qio h ALA 169 Cb 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2qio h ALA 169 CO -0.02 0.79 0.55 0.77 0.00 0.00 0.00 179.25 181.33 2qio h SER 170 N 0.27 0.94 -0.41 0.00 0.02 0.16 -0.47 113.55 114.07 2qio h SER 170 Ca -0.07 -0.02 0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2qio h SER 170 Cb 1.52 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 63.78 2qio h SER 170 CO 0.16 0.67 0.07 0.58 -1.14 0.00 0.00 176.83 177.17 2qio h VAL 171 N 1.11 0.77 -0.01 2.27 2.07 -0.64 0.18 116.25 122.00 2qio h VAL 171 Ca 0.31 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.77 2qio h VAL 171 Cb -0.09 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2qio h VAL 171 CO -0.08 0.04 0.01 0.11 0.02 0.00 0.00 177.57 177.66 2qio h LYS 172 N 0.20 0.01 -0.45 1.57 1.57 -1.17 -0.14 116.57 118.16 2qio h LYS 172 Ca 0.20 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 2qio h LYS 172 Cb 0.25 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2qio h LYS 172 CO -0.27 0.05 -0.14 1.88 -0.57 0.00 0.00 179.45 180.40 2qio h TYR 173 N -0.03 0.94 -0.47 -1.35 0.05 -0.68 -1.32 116.97 114.11 2qio h TYR 173 Ca 0.00 -0.19 -0.07 0.00 0.05 0.00 0.00 58.73 58.53 2qio h TYR 173 Cb 0.04 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.53 2qio h TYR 173 CO -0.06 0.92 0.02 -0.07 -1.05 0.00 0.00 178.16 177.92 2qio h LEU 174 N 0.75 0.79 -0.95 3.88 3.38 -0.57 -0.64 115.31 121.96 2qio h LEU 174 Ca 0.12 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.85 2qio h LEU 174 Cb 0.65 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2qio h LEU 174 CO 0.05 0.90 0.61 0.00 0.09 0.00 0.00 178.44 180.08 2qio h ALA 175 N 0.93 1.29 -0.57 1.53 0.00 -0.77 0.21 119.26 121.87 2qio h ALA 175 Ca 0.13 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2qio h ALA 175 Cb 0.48 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2qio h ALA 175 CO 0.02 0.42 0.09 -0.97 0.00 0.00 0.00 179.25 178.81 2qio h ASN 176 N 1.13 0.87 0.16 0.00 -0.00 -0.76 -2.37 115.58 114.62 2qio h ASN 176 Ca 0.40 -0.19 -0.01 0.00 -0.00 0.00 0.00 56.30 56.50 2qio h ASN 176 Cb 0.11 -0.23 0.00 0.00 -0.00 0.00 0.00 38.32 38.20 2qio h ASN 176 CO -0.16 0.88 -0.07 0.44 -0.00 0.00 0.00 177.43 178.52 2qio h ASP 177 N 0.87 -0.18 1.24 1.15 3.32 0.41 -3.38 116.42 119.85 2qio h ASP 177 Ca 0.18 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2qio h ASP 177 Cb 0.39 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2qio h ASP 177 CO 0.01 0.38 0.00 -0.07 -1.72 0.00 0.00 179.24 177.84 2qio h LEU 178 N -0.85 0.00 -1.29 1.55 3.38 -0.72 -3.34 115.31 114.04 2qio h LEU 178 Ca -0.02 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.03 2qio h LEU 178 Cb 0.53 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 2qio h LEU 178 CO 0.04 0.00 0.53 1.23 0.09 0.00 0.00 178.44 180.33 2qio h GLY 179 N 3.52 1.12 2.00 0.83 0.00 -1.34 0.15 103.07 109.35 2qio h GLY 179 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 2qio h GLY 179 CO 0.00 0.21 -0.09 1.46 0.00 0.00 0.00 176.54 178.12 2qio h GLN 180 N 0.81 0.00 -0.68 4.80 4.20 -1.84 -1.77 115.11 120.64 2qio h GLN 180 Ca 0.37 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.04 2qio h GLN 180 Cb 0.37 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 2qio h GLN 180 CO -0.14 0.09 0.05 0.72 -0.67 0.00 0.00 178.83 178.88 2qio n HIS 181 N -3.52 1.88 -1.02 2.96 8.25 -0.03 -4.90 115.22 118.84 2qio n HIS 181 Ca -0.02 -0.72 -0.01 0.00 -0.26 0.00 0.00 57.72 56.71 2qio n HIS 181 Cb 0.22 -0.50 -0.00 0.00 1.12 0.00 0.00 29.99 30.83 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 0.40 0.38 3.49 -1.41 0.00 -0.66 -4.53 105.19 102.86 2qio n GLY 182 Ca 0.26 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.70 4.47 0.19 -0.61 1.01 -0.78 -2.07 121.20 121.71 2qio s ILE 183 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 2qio s ILE 183 Cb 0.00 -3.08 -0.06 0.00 0.01 0.00 0.00 42.46 39.33 2qio s ILE 183 CO 0.00 0.36 0.46 -0.13 0.00 0.00 0.00 174.94 175.63 2qio s ARG 184 N 1.37 3.70 -0.07 2.79 0.52 0.12 -3.04 118.95 124.34 2qio s ARG 184 Ca 0.05 0.08 -0.01 0.00 -0.52 0.00 0.00 55.73 55.33 2qio s ARG 184 Cb -0.15 -2.75 0.03 0.00 0.52 0.00 0.00 34.95 32.60 2qio s ARG 184 CO 0.04 0.39 0.01 0.08 0.02 0.00 0.00 175.30 175.84 2qio s VAL 185 N -1.74 0.33 0.13 3.52 1.01 -1.26 0.10 120.40 122.49 2qio s VAL 185 Ca 0.44 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.56 2qio s VAL 185 Cb -0.12 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2qio s VAL 185 CO 0.23 0.25 0.03 0.20 0.00 0.00 0.00 175.10 175.81 2qio s ASN 186 N 1.93 0.59 0.16 3.32 0.01 -0.43 0.86 114.94 121.37 2qio s ASN 186 Ca 0.04 -1.17 0.07 0.00 -0.71 0.00 0.00 52.86 51.09 2qio s ASN 186 Cb -0.12 0.23 -0.04 0.00 0.41 0.00 0.00 41.25 41.73 2qio s ASN 186 CO -0.05 -0.67 -0.15 0.00 -1.51 0.00 0.00 177.10 174.72 2qio s ALA 187 N -3.92 1.80 -0.11 0.60 0.00 0.33 -2.40 121.76 118.06 2qio s ALA 187 Ca 0.22 -1.46 0.03 0.00 0.00 0.00 0.00 51.96 50.75 2qio s ALA 187 Cb 0.07 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.09 2qio s ALA 187 CO 0.01 0.13 -0.21 0.42 0.00 0.00 0.00 175.76 176.11 2qio s ILE 188 N -2.36 1.91 -0.52 0.00 1.01 -0.57 -1.67 121.20 118.99 2qio s ILE 188 Ca 0.15 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 2qio s ILE 188 Cb -0.04 -1.68 0.10 0.00 0.01 0.00 0.00 42.46 40.85 2qio s ILE 188 CO 0.05 0.52 0.50 -0.55 0.00 0.00 0.00 174.94 175.47 2qio s SER 189 N 0.61 6.18 0.32 3.58 0.15 0.83 -0.56 113.70 124.81 2qio s SER 189 Ca -0.13 -1.54 -0.19 0.00 0.70 0.00 0.00 55.95 54.79 2qio s SER 189 Cb -0.17 -2.22 -0.09 0.00 -1.71 0.00 0.00 66.02 61.83 2qio s SER 189 CO 0.03 -0.83 0.81 0.00 1.20 0.00 0.00 173.24 174.45 2qio s ALA 190 N 1.82 3.28 0.87 5.45 0.00 -0.64 -1.25 121.76 131.29 2qio s ALA 190 Ca 0.05 0.22 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 2qio s ALA 190 Cb -0.27 -2.92 0.12 0.00 0.00 0.00 0.00 23.12 20.06 2qio s ALA 190 CO 0.05 0.27 1.19 0.20 0.00 0.00 0.00 175.76 177.47 2qio s GLY 191 N -1.98 1.62 0.19 0.00 0.00 -0.65 -4.59 107.32 101.91 2qio s GLY 191 Ca 0.52 -0.73 -0.33 0.00 0.00 0.00 0.00 44.72 44.18 2qio s GLY 191 CO 0.18 -0.16 1.55 -1.05 0.00 0.00 0.00 173.10 173.62 2qio n PRO 192 N -3.55 2.19 -4.22 2.90 -0.02 -1.26 -4.83 135.00 126.22 2qio n PRO 192 Ca 0.09 0.79 -0.16 0.00 -2.02 0.00 0.00 63.50 62.19 2qio n PRO 192 Cb 0.60 -2.53 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 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 0.65 0.54 -0.60 4.25 1.01 -1.26 -4.21 121.20 121.58 2qio s ILE 193 Ca 0.75 -0.40 -0.27 0.00 0.00 0.00 0.00 60.65 60.73 2qio s ILE 193 Cb -0.65 -0.48 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 2qio s ILE 193 CO 0.41 0.08 1.82 -0.60 0.00 0.00 0.00 174.94 176.65 2qio s ARG 194 N -0.37 2.70 0.37 2.79 6.06 -1.26 -4.81 118.95 124.43 2qio s ARG 194 Ca 0.01 0.60 0.04 0.00 -2.50 0.00 0.00 55.73 53.88 2qio s ARG 194 Cb -0.04 -4.36 -0.03 0.00 0.06 0.00 0.00 34.95 30.57 2qio s ARG 194 CO -0.00 -2.65 0.13 0.95 -2.50 0.00 0.00 175.30 171.22 2qio s THR 195 N 8.76 0.63 0.13 4.11 -4.23 -1.26 -4.91 115.64 118.87 2qio s THR 195 Ca 0.66 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.96 2qio s THR 195 Cb -0.13 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.21 2qio s THR 195 CO 0.21 0.00 1.69 -0.07 -0.54 0.00 0.00 174.62 175.91 2qio h LEU 196 N 1.96 -0.31 0.00 4.79 3.38 -1.92 -1.47 115.31 121.74 2qio h LEU 196 Ca -0.36 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2qio h LEU 196 Cb 1.26 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2qio h LEU 196 CO 0.58 -0.13 0.00 -1.20 0.09 0.00 0.00 178.44 177.78 2qio n SER 197 N -5.24 0.00 0.00 -0.43 7.64 -1.26 -3.05 113.62 111.28 2qio n SER 197 Ca -0.03 0.03 0.11 0.00 1.01 0.00 0.00 58.87 59.99 2qio n SER 197 Cb 0.16 -0.27 0.60 0.00 -1.01 0.00 0.00 64.21 63.70 2qio n SER 197 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qio n ALA 198 N -1.27 2.23 0.13 -0.43 0.00 -0.55 -2.95 120.51 117.67 2qio n ALA 198 Ca 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.41 2qio n ALA 198 Cb 0.12 -1.36 0.07 0.00 0.00 0.00 0.00 19.45 18.28 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 1.79 -1.71 -3.20 116.57 113.45 2qio h LYS 199 Ca 0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 2qio h LYS 199 Cb 0.10 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2qio h LYS 199 CO 0.00 0.58 -0.46 0.78 -1.08 0.00 0.00 179.45 179.27 2qio h GLY 200 N 3.04 0.00 -7.29 3.86 0.00 -1.81 -3.39 103.07 97.47 2qio h GLY 200 Ca -0.01 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 2qio h GLY 200 CO 0.08 0.00 1.05 0.14 0.00 0.00 0.00 176.54 177.80 2qio s VAL 201 N -3.95 3.92 0.26 4.60 1.01 -1.21 -4.87 120.40 120.15 2qio s VAL 201 Ca -0.02 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2qio s VAL 201 Cb 0.14 -4.90 -0.14 0.00 0.00 0.00 0.00 36.38 31.47 2qio s VAL 201 CO 0.74 -1.79 1.04 0.61 0.00 0.00 0.00 175.10 175.70 2qio n GLY 202 N 5.68 -0.22 3.49 4.51 0.00 -1.26 -3.60 105.19 113.79 2qio n GLY 202 Ca 0.09 0.38 -0.23 0.00 0.00 0.00 0.00 46.02 46.25 2qio n GLY 202 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qio n ASP 203 N 1.47 -5.62 -0.27 1.61 8.00 -1.26 -4.91 116.55 115.56 2qio n ASP 203 Ca 0.11 -0.86 -0.03 0.00 0.71 0.00 0.00 54.79 54.72 2qio n ASP 203 Cb 0.30 -4.27 0.13 0.00 -0.02 0.00 0.00 41.12 37.27 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 -1.53 1.12 -0.68 1.24 3.57 -1.88 -2.84 116.94 115.94 2qio h PHE 204 Ca -0.64 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 60.90 2qio h PHE 204 Cb 1.34 -0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.66 2qio h PHE 204 CO 0.33 0.79 0.37 -0.91 -2.23 0.00 0.00 178.31 176.66 2qio h ASN 205 N 1.13 0.54 -0.47 0.41 2.35 -1.93 0.66 115.58 118.27 2qio h ASN 205 Ca 0.28 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 56.03 2qio h ASN 205 Cb 0.06 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2qio h ASN 205 CO -0.04 0.34 0.18 0.28 -1.65 0.00 0.00 177.43 176.54 2qio h SER 206 N 0.67 0.70 0.03 5.81 0.02 -1.89 -1.16 113.55 117.73 2qio h SER 206 Ca 0.31 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2qio h SER 206 Cb 0.22 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2qio h SER 206 CO -0.20 0.65 -0.01 0.40 -1.14 0.00 0.00 176.83 176.53 2qio h ILE 207 N 0.75 1.05 -0.40 3.27 2.04 -0.83 -0.89 117.51 122.51 2qio h ILE 207 Ca 0.18 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 2qio h ILE 207 Cb 0.19 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 2qio h ILE 207 CO -0.01 0.07 -0.00 -0.07 0.00 0.00 0.00 178.15 178.13 2qio h LEU 208 N -0.15 0.61 -0.41 1.44 3.38 -0.72 -2.57 115.31 116.89 2qio h LEU 208 Ca -0.00 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.66 2qio h LEU 208 Cb 0.14 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2qio h LEU 208 CO 0.01 0.68 -0.57 0.03 0.09 0.00 0.00 178.44 178.68 2qio h ARG 209 N 0.61 0.69 -0.59 1.13 3.08 -1.04 -2.04 114.38 116.23 2qio h ARG 209 Ca 0.12 -0.45 -0.09 0.00 0.07 0.00 0.00 59.98 59.64 2qio h ARG 209 Cb 0.39 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 2qio h ARG 209 CO 0.01 1.07 0.01 1.49 -1.07 0.00 0.00 179.97 181.49 2qio h GLU 210 N 0.53 1.01 -0.63 0.04 4.81 -1.02 -1.69 114.58 117.63 2qio h GLU 210 Ca 0.01 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2qio h GLU 210 Cb 1.14 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 2qio h GLU 210 CO 0.11 0.99 0.34 0.82 -0.73 0.00 0.00 179.01 180.54 2qio h ILE 211 N 0.93 1.20 -0.03 2.32 2.04 -1.38 0.88 117.51 123.47 2qio h ILE 211 Ca 0.17 -0.51 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 2qio h ILE 211 Cb 0.52 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2qio h ILE 211 CO 0.03 0.22 -0.28 -0.33 0.00 0.00 0.00 178.15 177.79 2qio h GLU 212 N 0.86 0.05 0.03 2.37 5.08 -1.08 0.33 114.58 122.21 2qio h GLU 212 Ca 0.22 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.30 2qio h GLU 212 Cb 0.04 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2qio h GLU 212 CO -0.04 0.33 -1.42 1.49 -1.00 0.00 0.00 179.01 178.37 2qio h GLU 213 N 0.05 0.05 0.00 2.33 4.57 -0.84 -3.39 114.58 117.35 2qio h GLU 213 Ca 0.01 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.04 2qio h GLU 213 Cb 0.51 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 2qio h GLU 213 CO 0.04 0.82 -1.41 0.54 -1.18 0.00 0.00 179.01 177.81 2qio n ARG 214 N -3.25 1.36 -1.91 1.92 1.74 0.26 -4.99 116.66 111.79 2qio n ARG 214 Ca -0.11 -0.04 -0.41 0.00 -0.77 0.00 0.00 57.85 56.52 2qio n ARG 214 Cb 1.01 -1.18 -0.01 0.00 -1.02 0.00 0.00 32.46 31.26 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 -2.38 3.56 0.29 7.54 0.00 0.12 -4.88 121.76 126.01 2qio s ALA 215 Ca -0.03 1.47 0.04 0.00 0.00 0.00 0.00 51.96 53.44 2qio s ALA 215 Cb 0.04 -3.57 0.75 0.00 0.00 0.00 0.00 23.12 20.34 2qio s ALA 215 CO 0.31 -0.92 1.69 -1.35 0.00 0.00 0.00 175.76 175.49 2qio h PRO 216 N 3.22 0.37 -0.06 0.00 0.11 -1.77 0.68 132.00 134.56 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 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2qio h PRO 216 CO 0.65 0.25 0.00 1.28 -0.21 0.00 0.00 178.00 179.97 2qio n LEU 217 N -5.06 0.79 -3.61 2.35 4.77 -1.00 -4.93 117.00 110.31 2qio n LEU 217 Ca 0.23 -0.31 -0.27 0.00 -0.03 0.00 0.00 56.01 55.63 2qio n LEU 217 Cb 0.68 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.72 2qio n LEU 217 CO 0.12 0.15 -0.03 0.54 -1.33 0.00 0.00 177.39 176.84 2qio n ARG 218 N -0.30 -3.24 -3.65 3.23 5.12 0.23 -4.94 116.66 113.12 2qio n ARG 218 Ca 0.17 0.41 -0.11 0.00 -1.93 0.00 0.00 57.85 56.39 2qio n ARG 218 Cb 0.21 -5.12 -0.05 0.00 -1.16 0.00 0.00 32.46 26.34 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 -6.27 1.00 0.58 5.56 1.70 -1.26 -4.78 118.95 115.47 2qio s ARG 219 Ca 0.50 -0.55 -0.04 0.00 -0.47 0.00 0.00 55.73 55.17 2qio s ARG 219 Cb -0.27 0.44 0.02 0.00 -0.57 0.00 0.00 34.95 34.57 2qio s ARG 219 CO 0.61 -0.37 0.87 0.95 -1.08 0.00 0.00 175.30 176.28 2qio s THR 220 N -3.20 3.42 0.84 4.99 -4.23 -1.26 -4.66 115.64 111.55 2qio s THR 220 Ca -0.01 -0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 60.24 2qio s THR 220 Cb 0.01 -3.35 0.16 0.00 1.34 0.00 0.00 72.50 70.66 2qio s THR 220 CO -0.08 -0.33 1.15 0.42 -0.54 0.00 0.00 174.62 175.24 2qio s THR 221 N -2.93 2.07 0.15 3.99 -4.23 -1.26 -4.97 115.64 108.46 2qio s THR 221 Ca 0.54 -0.31 0.02 0.00 -1.18 0.00 0.00 61.69 60.76 2qio s THR 221 Cb -0.10 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 2qio s THR 221 CO 0.43 0.00 -0.02 0.42 -0.54 0.00 0.00 174.62 174.91 2qio s THR 222 N -3.50 0.69 0.51 3.99 -4.23 -1.26 -4.79 115.64 107.04 2qio s THR 222 Ca 0.70 -1.97 0.29 0.00 -1.18 0.00 0.00 61.69 59.53 2qio s THR 222 Cb -0.05 -1.98 0.33 0.00 1.34 0.00 0.00 72.50 72.15 2qio s THR 222 CO 0.48 -0.60 2.17 1.56 -0.54 0.00 0.00 174.62 177.69 2qio h GLN 223 N 2.78 0.00 0.04 3.99 7.50 -1.93 -2.41 115.11 125.08 2qio h GLN 223 Ca -0.36 0.00 -0.27 0.00 0.50 0.00 0.00 58.65 58.52 2qio h GLN 223 Cb 1.19 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.74 2qio h GLN 223 CO 0.63 0.06 -1.10 0.93 -1.50 0.00 0.00 178.83 177.85 2qio h GLU 224 N 0.00 0.61 -0.75 1.46 3.07 -1.94 0.11 114.58 117.14 2qio h GLU 224 Ca -0.00 -0.71 -0.05 0.00 -0.50 0.00 0.00 59.36 58.10 2qio h GLU 224 Cb 0.16 0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 28.26 2qio h GLU 224 CO 0.01 1.30 0.27 0.93 -1.40 0.00 0.00 179.01 180.12 2qio h GLU 225 N 0.32 1.14 -0.34 2.33 5.08 -1.85 0.28 114.58 121.54 2qio h GLU 225 Ca -0.14 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 2qio h GLU 225 Cb 1.75 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 2qio h GLU 225 CO 0.21 0.94 0.03 0.28 -1.00 0.00 0.00 179.01 179.47 2qio h VAL 226 N 1.09 1.25 -0.92 3.13 2.07 -1.50 -1.63 116.25 119.74 2qio h VAL 226 Ca 0.25 -0.90 0.07 0.00 0.82 0.00 0.00 66.70 66.94 2qio h VAL 226 Cb 0.25 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 2qio h VAL 226 CO -0.02 0.30 0.58 1.23 0.02 0.00 0.00 177.57 179.68 2qio h GLY 227 N 0.40 1.41 1.82 2.17 0.00 -0.01 -0.70 103.07 108.16 2qio h GLY 227 Ca 0.10 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 2qio h GLY 227 CO 0.01 0.27 -0.54 -0.55 0.00 0.00 0.00 176.54 175.73 2qio h ASP 228 N 1.03 0.22 0.33 0.19 3.32 -0.16 -0.77 116.42 120.57 2qio h ASP 228 Ca 0.41 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 57.21 2qio h ASP 228 Cb 0.22 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2qio h ASP 228 CO -0.19 0.71 -0.55 0.74 -1.72 0.00 0.00 179.24 178.23 2qio h THR 229 N 0.15 1.37 -0.52 0.35 2.02 -0.57 -2.55 112.91 113.15 2qio h THR 229 Ca 0.00 -1.86 -0.07 0.00 0.77 0.00 0.00 66.41 65.26 2qio h THR 229 Cb 1.00 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 2qio h THR 229 CO 0.08 0.55 0.07 0.00 0.37 0.00 0.00 175.52 176.59 2qio h ALA 230 N 1.24 0.70 -0.73 6.16 0.00 -0.54 -1.29 119.26 124.81 2qio h ALA 230 Ca 0.00 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 54.79 2qio h ALA 230 Cb 1.03 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.53 2qio h ALA 230 CO 0.09 0.45 0.30 0.28 0.00 0.00 0.00 179.25 180.36 2qio h VAL 231 N 0.76 0.70 0.06 0.00 2.07 -0.85 0.61 116.25 119.60 2qio h VAL 231 Ca 0.16 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2qio h VAL 231 Cb 0.43 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2qio h VAL 231 CO 0.01 0.08 -0.04 0.15 0.02 0.00 0.00 177.57 177.80 2qio h PHE 232 N 0.46 -0.10 0.00 1.57 3.57 -1.01 -1.87 116.94 119.57 2qio h PHE 232 Ca 0.39 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.84 2qio h PHE 232 Cb 0.55 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2qio h PHE 232 CO -0.16 -0.06 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.58 2qio h LEU 233 N -0.10 0.00 0.00 0.59 3.38 -0.11 -1.88 115.31 117.19 2qio h LEU 233 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qio h LEU 233 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2qio h LEU 233 CO 0.00 0.21 -0.31 0.49 0.09 0.00 0.00 178.44 178.93 2qio n PHE 234 N -4.19 0.54 -2.39 1.13 3.01 0.10 -4.78 117.46 110.88 2qio n PHE 234 Ca -0.02 0.16 -0.26 0.00 1.01 0.00 0.00 57.45 58.33 2qio n PHE 234 Cb 0.28 -0.68 0.03 0.00 -0.01 0.00 0.00 39.48 39.10 2qio n PHE 234 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2qio s SER 235 N -4.01 5.53 0.02 4.37 1.04 -0.71 -4.81 113.70 115.14 2qio s SER 235 Ca 0.09 0.69 0.15 0.00 0.48 0.00 0.00 55.95 57.36 2qio s SER 235 Cb 0.14 -1.65 0.65 0.00 0.10 0.00 0.00 66.02 65.26 2qio s SER 235 CO 0.65 -1.10 1.48 0.47 0.98 0.00 0.00 173.24 175.72 2qio n ASP 236 N -2.60 0.06 0.20 7.02 8.00 -1.26 -1.90 116.55 126.06 2qio n ASP 236 Ca 0.05 0.51 0.04 0.00 0.71 0.00 0.00 54.79 56.10 2qio n ASP 236 Cb 0.58 -0.53 0.40 0.00 -0.02 0.00 0.00 41.12 41.56 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 -3.26 0.64 3.38 -1.93 -2.59 115.31 111.55 2qio h LEU 237 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 2qio h LEU 237 Cb 0.26 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.90 2qio h LEU 237 CO 0.00 0.33 0.23 0.00 0.09 0.00 0.00 178.44 179.09 2qio n ALA 238 N -2.44 4.19 -0.37 1.53 0.00 -0.80 -4.70 120.51 117.92 2qio n ALA 238 Ca -0.02 -1.84 -0.01 0.00 0.00 0.00 0.00 53.44 51.57 2qio n ALA 238 Cb 0.38 -1.21 0.04 0.00 0.00 0.00 0.00 19.45 18.66 2qio n ALA 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qio h ARG 239 N 2.11 -0.01 -0.65 0.00 3.08 -1.61 -1.17 114.38 116.13 2qio h ARG 239 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2qio h ARG 239 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.07 2qio h ARG 239 CO 0.60 -0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.90 2qio n GLY 240 N -1.48 2.38 3.39 0.04 0.00 -1.26 -4.86 105.19 103.40 2qio n GLY 240 Ca 0.10 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.06 4.33 -0.05 1.61 1.01 -0.44 -5.07 120.40 119.73 2qio s VAL 241 Ca 0.40 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 2qio s VAL 241 Cb 0.29 -3.24 0.04 0.00 0.00 0.00 0.00 36.38 33.47 2qio s VAL 241 CO 0.15 0.04 0.47 0.28 0.00 0.00 0.00 175.10 176.05 2qio s THR 242 N 1.56 0.03 -0.83 3.92 -1.32 -1.26 -4.74 115.64 113.00 2qio s THR 242 Ca 0.03 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 2qio s THR 242 Cb -0.17 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 2qio s THR 242 CO 0.05 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 2qio n GLY 243 N 1.35 0.60 3.83 6.08 0.00 0.25 -4.94 105.19 112.36 2qio n GLY 243 Ca -0.20 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.44 2.95 -0.23 1.61 2.56 -1.25 -4.81 118.70 116.09 2qio s GLU 244 Ca 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 54.97 53.94 2qio s GLU 244 Cb 0.00 -2.59 0.07 0.00 2.00 0.00 0.00 34.13 33.61 2qio s GLU 244 CO 0.00 0.41 0.01 1.21 -0.56 0.00 0.00 175.26 176.33 2qio s ASN 245 N -3.78 3.55 -0.26 -1.70 2.47 -1.26 -0.51 114.94 113.46 2qio s ASN 245 Ca 0.33 -1.14 -0.11 0.00 0.42 0.00 0.00 52.86 52.36 2qio s ASN 245 Cb -0.08 -0.93 -0.05 0.00 -1.45 0.00 0.00 41.25 38.74 2qio s ASN 245 CO 0.25 -0.29 0.18 -0.63 -3.72 0.00 0.00 177.10 172.88 2qio s ILE 246 N 1.59 5.34 -0.31 -5.21 1.01 -0.67 -4.86 121.20 118.08 2qio s ILE 246 Ca -0.01 0.18 -0.25 0.00 0.00 0.00 0.00 60.65 60.58 2qio s ILE 246 Cb -0.18 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.78 2qio s ILE 246 CO -0.10 0.30 0.84 -1.00 0.00 0.00 0.00 174.94 174.99 2qio s HIS 247 N 1.36 3.20 -0.90 3.97 3.76 -1.26 -0.12 115.29 125.30 2qio s HIS 247 Ca 0.07 0.89 -0.02 0.00 -0.15 0.00 0.00 55.06 55.86 2qio s HIS 247 Cb -0.15 -3.30 0.22 0.00 1.11 0.00 0.00 32.58 30.47 2qio s HIS 247 CO 0.07 -0.60 0.79 0.08 -0.85 0.00 0.00 174.74 174.23 2qio s VAL 248 N 3.08 4.42 0.00 -0.90 1.01 -0.38 -4.76 120.40 122.87 2qio s VAL 248 Ca 0.35 -3.82 0.18 0.00 0.00 0.00 0.00 61.98 58.69 2qio s VAL 248 Cb -0.14 -3.74 0.29 0.00 0.00 0.00 0.00 36.38 32.80 2qio s VAL 248 CO 0.13 -1.09 1.10 -0.90 0.00 0.00 0.00 175.10 174.34 2qio n ASP 249 N 2.38 0.50 -1.08 3.32 5.75 -1.26 -1.64 116.55 124.53 2qio n ASP 249 Ca 0.21 -1.97 -0.14 0.00 -0.01 0.00 0.00 54.79 52.88 2qio n ASP 249 Cb 0.37 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 40.23 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 0.34 -5.07 0.00 -1.12 7.64 -1.26 -2.45 113.62 111.70 2qio n SER 250 Ca -0.01 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2qio n SER 250 Cb 1.00 -3.81 0.00 0.00 -1.01 0.00 0.00 64.21 60.39 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 -0.76 0.74 0.34 0.23 0.00 -1.26 -2.37 105.19 102.11 2qio n GLY 251 Ca -0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 0.53 -0.01 1.61 3.20 -1.85 -2.57 116.97 117.88 2qio h TYR 252 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2qio h TYR 252 Cb 0.00 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 2qio h TYR 252 CO 0.00 0.28 0.19 1.12 -1.64 0.00 0.00 178.16 178.11 2qio h HIS 253 N 0.52 0.00 0.00 -3.82 2.07 -1.93 -1.96 115.15 110.03 2qio h HIS 253 Ca 0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.78 2qio h HIS 253 Cb 0.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.32 2qio h HIS 253 CO -0.00 0.00 -0.23 0.44 -3.07 0.00 0.00 177.93 175.07 2qio n ILE 254 N -3.01 0.48 -2.49 6.12 -5.35 -0.97 -4.90 119.36 109.24 2qio n ILE 254 Ca -0.02 -0.26 -0.37 0.00 -0.27 0.00 0.00 62.75 61.82 2qio n ILE 254 Cb 0.25 -0.40 -0.04 0.00 -1.74 0.00 0.00 39.64 37.71 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 -4.33 4.22 0.00 7.28 1.43 -0.74 -5.22 118.68 121.32 2qio s LEU 255 Ca 0.09 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 2qio s LEU 255 Cb 0.13 -4.06 0.00 0.00 0.03 0.00 0.00 46.19 42.29 2qio s LEU 255 CO 0.64 -0.46 0.40 0.61 0.23 0.00 0.00 176.35 177.77