#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocr h PHE 2 N 0.00 0.81 0.07 2.03 3.57 -2.03 -2.09 116.94 119.31 1ocr h PHE 2 Ca 0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1ocr h PHE 2 Cb 0.00 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.53 1ocr h PHE 2 CO 0.00 -0.00 -0.03 0.82 -2.23 0.00 0.00 178.31 176.86 1ocr h ILE 3 N 0.48 0.00 -1.16 1.41 1.08 -2.00 0.58 117.51 117.90 1ocr h ILE 3 Ca 0.60 -0.01 0.33 0.00 -0.39 0.00 0.00 64.86 65.39 1ocr h ILE 3 Cb 1.14 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.82 1ocr h ILE 3 CO -0.51 0.00 0.79 0.78 -0.69 0.00 0.00 178.15 178.53 1ocr h ASN 4 N -0.10 0.20 0.03 1.72 4.21 -1.92 0.37 115.58 120.08 1ocr h ASN 4 Ca -0.01 0.05 -0.19 0.00 1.21 0.00 0.00 56.30 57.36 1ocr h ASN 4 Cb 0.07 0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.27 1ocr h ASN 4 CO 0.02 0.02 -1.01 -0.09 -1.29 0.00 0.00 177.43 175.07 1ocr h ARG 5 N 0.16 0.06 0.00 0.81 2.43 -1.31 -3.27 114.38 113.27 1ocr h ARG 5 Ca 0.61 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.66 1ocr h ARG 5 Cb 2.03 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.61 1ocr h ARG 5 CO -0.16 1.05 -1.65 0.91 -1.51 0.00 0.00 179.97 178.61 1ocr n TRP 6 N -4.35 0.38 -0.02 2.20 7.02 0.20 -3.58 117.44 119.29 1ocr n TRP 6 Ca -0.25 0.11 0.03 0.00 -1.02 0.00 0.00 57.50 56.36 1ocr n TRP 6 Cb 0.69 -0.71 -0.09 0.00 -2.42 0.00 0.00 31.31 28.77 1ocr n TRP 6 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1ocr n LEU 7 N -2.46 0.00 -0.72 -0.99 4.77 0.12 -4.59 117.00 113.13 1ocr n LEU 7 Ca -0.04 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.99 1ocr n LEU 7 Cb 0.61 0.09 0.21 0.00 -2.33 0.00 0.00 43.42 41.99 1ocr n LEU 7 CO 0.44 0.09 0.64 0.49 -1.33 0.00 0.00 177.39 177.71 1ocr n PHE 8 N -2.08 0.66 -1.19 -1.77 3.72 -0.75 -5.01 117.46 111.03 1ocr n PHE 8 Ca -0.07 -1.13 -0.35 0.00 -0.05 0.00 0.00 57.45 55.84 1ocr n PHE 8 Cb 0.49 -0.31 0.10 0.00 -0.94 0.00 0.00 39.48 38.82 1ocr n PHE 8 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ocr n SER 9 N -0.95 -0.31 -1.05 4.37 2.88 -1.23 -4.88 113.62 112.45 1ocr n SER 9 Ca 0.23 0.58 -0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1ocr n SER 9 Cb 0.85 -1.34 -0.01 0.00 -0.75 0.00 0.00 64.21 62.96 1ocr n SER 9 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ocr n THR 10 N -2.81 0.00 -4.26 2.46 -2.24 -1.26 -4.70 114.28 101.48 1ocr n THR 10 Ca 0.11 -0.41 -0.34 0.00 -2.27 0.00 0.00 64.05 61.14 1ocr n THR 10 Cb 0.50 0.64 -0.14 0.00 -2.10 0.00 0.00 70.33 69.23 1ocr n THR 10 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ocr s ASN 11 N -1.29 3.98 0.56 3.42 3.84 -1.26 -4.84 114.94 119.35 1ocr s ASN 11 Ca 0.14 -0.42 0.25 0.00 0.21 0.00 0.00 52.86 53.04 1ocr s ASN 11 Cb 0.16 -1.65 1.52 0.00 -0.55 0.00 0.00 41.25 40.74 1ocr s ASN 11 CO -0.07 0.05 2.11 1.12 -2.79 0.00 0.00 177.10 177.52 1ocr h HIS 12 N 7.58 0.00 0.06 0.43 2.07 -1.91 -1.25 115.15 122.13 1ocr h HIS 12 Ca -0.37 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.15 1ocr h HIS 12 Cb 1.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 1ocr h HIS 12 CO 0.54 0.00 -0.03 0.87 -3.07 0.00 0.00 177.93 176.24 1ocr h LYS 13 N 0.00 -0.08 -0.75 5.12 1.57 -1.91 -2.12 116.57 118.40 1ocr h LYS 13 Ca 0.09 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1ocr h LYS 13 Cb 0.43 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 1ocr h LYS 13 CO -0.00 0.50 0.50 -0.44 -0.57 0.00 0.00 179.45 179.44 1ocr h ASP 14 N -0.89 0.84 -0.34 0.86 3.32 -1.82 -1.18 116.42 117.21 1ocr h ASP 14 Ca -0.01 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1ocr h ASP 14 Cb 0.62 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1ocr h ASP 14 CO 0.01 0.60 -0.01 0.40 -1.72 0.00 0.00 179.24 178.52 1ocr h ILE 15 N 0.99 1.26 -0.98 0.35 2.04 -1.32 -1.48 117.51 118.36 1ocr h ILE 15 Ca 0.28 -0.99 0.10 0.00 1.00 0.00 0.00 64.86 65.25 1ocr h ILE 15 Cb -0.07 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 37.16 1ocr h ILE 15 CO -0.07 0.33 0.62 1.23 0.00 0.00 0.00 178.15 180.27 1ocr h GLY 16 N 0.42 1.53 0.96 5.37 0.00 -0.75 -1.09 103.07 109.52 1ocr h GLY 16 Ca 0.10 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 1ocr h GLY 16 CO 0.02 0.21 0.02 -0.84 0.00 0.00 0.00 176.54 175.95 1ocr h THR 17 N 1.01 1.26 -0.48 4.70 2.02 -0.85 -1.66 112.91 118.91 1ocr h THR 17 Ca 0.46 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.69 1ocr h THR 17 Cb 0.40 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 1ocr h THR 17 CO -0.22 0.34 0.24 -0.07 0.37 0.00 0.00 175.52 176.18 1ocr h LEU 18 N 0.59 0.34 -0.48 2.58 4.07 -0.18 -1.41 115.31 120.82 1ocr h LEU 18 Ca 0.12 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1ocr h LEU 18 Cb 0.46 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 1ocr h LEU 18 CO 0.02 0.24 0.31 1.88 -1.08 0.00 0.00 178.44 179.80 1ocr h TYR 19 N 0.47 0.62 -0.45 1.13 0.05 -0.96 -0.54 116.97 117.29 1ocr h TYR 19 Ca 0.21 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.98 1ocr h TYR 19 Cb 0.12 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 1ocr h TYR 19 CO -0.10 0.42 0.20 -0.07 -1.05 0.00 0.00 178.16 177.55 1ocr h LEU 20 N 0.65 0.56 -0.03 3.88 3.38 -0.62 -0.01 115.31 123.12 1ocr h LEU 20 Ca 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ocr h LEU 20 Cb -0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1ocr h LEU 20 CO -0.04 0.49 -0.02 -0.07 0.09 0.00 0.00 178.44 178.89 1ocr h LEU 21 N 0.63 0.07 0.25 1.67 3.38 -0.66 -1.18 115.31 119.48 1ocr h LEU 21 Ca 0.16 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1ocr h LEU 21 Cb 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1ocr h LEU 21 CO -0.02 0.53 -0.19 0.15 0.09 0.00 0.00 178.44 178.99 1ocr h PHE 22 N -0.38 -0.51 -0.68 1.13 3.57 -0.89 -1.77 116.94 117.41 1ocr h PHE 22 Ca 0.01 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1ocr h PHE 22 Cb 0.51 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 1ocr h PHE 22 CO 0.09 -0.30 0.45 0.78 -2.23 0.00 0.00 178.31 177.10 1ocr h GLY 23 N -0.45 0.77 0.83 2.40 0.00 -1.04 -0.13 103.07 105.44 1ocr h GLY 23 Ca -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1ocr h GLY 23 CO -0.01 0.14 -0.03 0.00 0.00 0.00 0.00 176.54 176.64 1ocr h ALA 24 N 1.66 0.31 0.22 3.60 0.00 -0.76 -2.19 119.26 122.10 1ocr h ALA 24 Ca 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ocr h ALA 24 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ocr h ALA 24 CO -0.10 0.08 -0.10 2.35 0.00 0.00 0.00 179.25 181.47 1ocr h TRP 25 N 0.18 -0.27 -0.90 0.00 7.01 -0.44 -2.54 115.95 118.98 1ocr h TRP 25 Ca 0.06 -0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.21 1ocr h TRP 25 Cb 0.47 0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 27.54 1ocr h TRP 25 CO 0.04 -0.12 0.58 0.00 -2.79 0.00 0.00 178.44 176.16 1ocr h ALA 26 N 0.42 1.89 0.00 2.65 0.00 -1.09 0.82 119.26 123.94 1ocr h ALA 26 Ca -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ocr h ALA 26 Cb 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ocr h ALA 26 CO 0.05 -0.15 -0.10 0.78 0.00 0.00 0.00 179.25 179.83 1ocr h GLY 27 N 0.65 0.00 0.81 0.00 0.00 -0.96 0.58 103.07 104.14 1ocr h GLY 27 Ca 0.46 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.65 1ocr h GLY 27 CO -0.22 0.00 -0.53 -0.33 0.00 0.00 0.00 176.54 175.47 1ocr h MET 28 N 0.00 0.44 -0.53 4.80 2.07 -0.71 -1.19 114.93 119.82 1ocr h MET 28 Ca -0.00 -0.41 0.02 0.00 -2.07 0.00 0.00 59.70 57.24 1ocr h MET 28 Cb 0.24 0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 30.04 1ocr h MET 28 CO 0.01 1.06 0.32 0.28 1.07 0.00 0.00 176.91 179.65 1ocr h VAL 29 N -0.03 1.07 -0.32 -2.22 2.07 -1.08 -0.33 116.25 115.41 1ocr h VAL 29 Ca -0.05 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1ocr h VAL 29 Cb 1.20 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1ocr h VAL 29 CO 0.11 0.12 -0.13 1.23 0.02 0.00 0.00 177.57 178.91 1ocr h GLY 30 N 0.64 0.60 1.03 2.17 0.00 -0.93 -1.91 103.07 104.68 1ocr h GLY 30 Ca 0.21 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 46.97 1ocr h GLY 30 CO -0.09 0.40 -0.37 -0.84 0.00 0.00 0.00 176.54 175.65 1ocr h THR 31 N 0.51 1.29 -0.03 4.70 2.02 -0.47 -1.96 112.91 118.97 1ocr h THR 31 Ca 0.09 -1.55 0.02 0.00 0.77 0.00 0.00 66.41 65.74 1ocr h THR 31 Cb 0.53 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1ocr h THR 31 CO 0.03 0.50 -0.09 0.00 0.37 0.00 0.00 175.52 176.34 1ocr h ALA 32 N 0.70 -0.07 -0.98 6.16 0.00 -0.82 -1.51 119.26 122.74 1ocr h ALA 32 Ca 0.04 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1ocr h ALA 32 Cb 0.95 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1ocr h ALA 32 CO 0.09 -0.57 0.63 -0.07 0.00 0.00 0.00 179.25 179.33 1ocr h LEU 33 N -0.14 0.97 -1.28 0.00 3.38 -1.32 -0.77 115.31 116.14 1ocr h LEU 33 Ca 0.05 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1ocr h LEU 33 Cb 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ocr h LEU 33 CO -0.11 0.59 -0.33 0.77 0.09 0.00 0.00 178.44 179.45 1ocr h SER 34 N 1.08 0.00 0.40 -0.43 4.64 -0.50 -2.56 113.55 116.18 1ocr h SER 34 Ca 0.44 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.54 1ocr h SER 34 Cb 0.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1ocr h SER 34 CO -0.19 0.33 -0.93 -0.07 -0.87 0.00 0.00 176.83 175.09 1ocr h LEU 35 N 0.00 0.46 -1.09 5.97 3.38 -0.28 -2.80 115.31 120.95 1ocr h LEU 35 Ca -0.00 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 1ocr h LEU 35 Cb 0.68 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1ocr h LEU 35 CO 0.04 1.18 0.12 -0.07 0.09 0.00 0.00 178.44 179.80 1ocr h LEU 36 N 0.20 0.71 0.63 1.67 3.38 -1.05 0.27 115.31 121.11 1ocr h LEU 36 Ca -0.07 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1ocr h LEU 36 Cb 1.57 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 42.14 1ocr h LEU 36 CO 0.16 0.70 -0.30 0.40 0.09 0.00 0.00 178.44 179.49 1ocr h ILE 37 N 0.74 0.36 0.00 1.22 2.04 -1.43 -1.53 117.51 118.91 1ocr h ILE 37 Ca 0.16 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 1ocr h ILE 37 Cb 0.28 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1ocr h ILE 37 CO -0.00 0.01 -0.19 0.03 0.00 0.00 0.00 178.15 178.01 1ocr h ARG 38 N -0.90 0.00 -0.13 2.37 2.47 -1.26 -2.42 114.38 114.51 1ocr h ARG 38 Ca -0.09 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 1ocr h ARG 38 Cb 0.67 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.98 1ocr h ARG 38 CO 0.14 0.19 0.02 0.00 0.56 0.00 0.00 179.97 180.88 1ocr h ALA 39 N 1.81 0.17 -0.93 0.04 0.00 -0.00 0.20 119.26 120.56 1ocr h ALA 39 Ca -0.00 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1ocr h ALA 39 Cb 0.52 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1ocr h ALA 39 CO 0.02 -0.17 0.60 1.49 0.00 0.00 0.00 179.25 181.19 1ocr h GLU 40 N -0.00 1.10 -0.22 0.00 4.57 -0.94 -2.53 114.58 116.55 1ocr h GLU 40 Ca 0.04 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1ocr h GLU 40 Cb 0.29 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1ocr h GLU 40 CO 0.00 0.73 0.00 1.28 -1.18 0.00 0.00 179.01 179.84 1ocr n LEU 41 N -4.52 2.03 -0.06 1.64 4.77 -0.94 -4.28 117.00 115.64 1ocr n LEU 41 Ca 0.13 -0.87 0.16 0.00 -0.03 0.00 0.00 56.01 55.39 1ocr n LEU 41 Cb 0.12 -0.14 0.87 0.00 -2.33 0.00 0.00 43.42 41.93 1ocr n LEU 41 CO 0.33 0.43 1.06 0.61 -1.33 0.00 0.00 177.39 178.50 1ocr n GLY 42 N 1.20 -0.92 3.63 -0.72 0.00 0.04 -4.52 105.19 103.90 1ocr n GLY 42 Ca 0.16 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1ocr n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ocr s GLN 43 N -2.09 0.80 0.48 1.61 0.74 -1.26 -4.57 119.66 115.37 1ocr s GLN 43 Ca 0.44 0.94 -0.23 0.00 0.05 0.00 0.00 55.36 56.56 1ocr s GLN 43 Cb 0.22 0.39 -0.08 0.00 1.10 0.00 0.00 33.01 34.64 1ocr s GLN 43 CO 0.38 -0.10 1.24 -2.30 -0.55 0.00 0.00 175.29 173.97 1ocr n PRO 44 N 2.62 1.69 0.00 1.67 -0.02 -1.26 -4.73 135.00 134.97 1ocr n PRO 44 Ca -0.14 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1ocr n PRO 44 Cb 0.55 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1ocr n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ocr n GLY 45 N 0.88 -0.49 3.30 -1.23 0.00 -1.26 -5.01 105.19 101.38 1ocr n GLY 45 Ca 0.09 -2.22 -0.30 0.00 0.00 0.00 0.00 46.02 43.59 1ocr n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ocr s THR 46 N -0.07 1.99 -0.16 2.61 -4.23 -1.26 -4.69 115.64 109.83 1ocr s THR 46 Ca 0.00 -1.18 -0.10 0.00 -1.18 0.00 0.00 61.69 59.23 1ocr s THR 46 Cb 0.00 -1.68 -0.07 0.00 1.34 0.00 0.00 72.50 72.09 1ocr s THR 46 CO 0.00 0.46 -0.24 -0.11 -0.54 0.00 0.00 174.62 174.19 1ocr n LEU 47 N 2.19 1.41 0.30 4.79 7.94 -1.26 -4.65 117.00 127.72 1ocr n LEU 47 Ca -0.16 0.24 0.18 0.00 -1.11 0.00 0.00 56.01 55.16 1ocr n LEU 47 Cb 0.52 -0.57 0.92 0.00 0.53 0.00 0.00 43.42 44.82 1ocr n LEU 47 CO 0.23 0.17 1.07 -0.07 -1.11 0.00 0.00 177.39 177.68 1ocr h LEU 48 N -0.67 0.00 0.00 -1.96 3.38 -1.96 -3.47 115.31 110.62 1ocr h LEU 48 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1ocr h LEU 48 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1ocr h LEU 48 CO -0.21 0.03 0.00 0.61 0.09 0.00 0.00 178.44 178.96 1ocr n GLY 49 N -0.66 1.97 3.64 0.83 0.00 -1.26 -4.94 105.19 104.77 1ocr n GLY 49 Ca -0.02 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 1ocr n GLY 49 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ocr s ASP 50 N -3.11 5.56 0.00 1.61 -4.77 -1.26 -4.97 116.67 109.73 1ocr s ASP 50 Ca 0.00 0.09 0.09 0.00 -3.30 0.00 0.00 52.55 49.43 1ocr s ASP 50 Cb 0.00 -1.91 0.40 0.00 -1.09 0.00 0.00 42.92 40.32 1ocr s ASP 50 CO 0.00 0.21 1.28 0.47 0.70 0.00 0.00 175.17 177.82 1ocr n ASP 51 N 3.32 0.00 0.05 2.11 8.00 -1.26 -1.54 116.55 127.23 1ocr n ASP 51 Ca -0.17 0.45 -0.15 0.00 0.71 0.00 0.00 54.79 55.63 1ocr n ASP 51 Cb 0.52 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 1ocr n ASP 51 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1ocr h GLN 52 N 0.00 0.52 -0.67 -1.24 5.75 -1.97 -2.32 115.11 115.18 1ocr h GLN 52 Ca 0.00 -0.54 -0.02 0.00 -0.15 0.00 0.00 58.65 57.95 1ocr h GLN 52 Cb 0.15 0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 1ocr h GLN 52 CO 0.00 1.17 0.35 0.82 -2.65 0.00 0.00 178.83 178.52 1ocr h ILE 53 N 0.30 1.20 0.08 2.39 1.08 -1.61 0.35 117.51 121.31 1ocr h ILE 53 Ca -0.09 -0.53 -0.00 0.00 -0.39 0.00 0.00 64.86 63.85 1ocr h ILE 53 Cb 1.58 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 1ocr h ILE 53 CO 0.17 0.23 -0.04 0.22 -0.69 0.00 0.00 178.15 178.04 1ocr h TYR 54 N 0.93 -0.10 -0.71 1.37 3.20 -1.51 -1.07 116.97 119.07 1ocr h TYR 54 Ca 0.23 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1ocr h TYR 54 Cb 0.04 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 1ocr h TYR 54 CO 0.01 -0.01 0.46 -0.91 -1.64 0.00 0.00 178.16 176.07 1ocr h ASN 55 N -0.17 0.83 -0.60 -2.11 2.35 -0.78 0.49 115.58 115.59 1ocr h ASN 55 Ca -0.01 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 1ocr h ASN 55 Cb 0.14 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 1ocr h ASN 55 CO 0.02 0.61 0.28 0.58 -1.65 0.00 0.00 177.43 177.27 1ocr h VAL 56 N 0.97 1.21 -0.37 2.81 2.07 -0.57 -1.74 116.25 120.63 1ocr h VAL 56 Ca 0.26 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1ocr h VAL 56 Cb -0.09 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1ocr h VAL 56 CO -0.05 0.25 0.02 0.58 0.02 0.00 0.00 177.57 178.38 1ocr h VAL 57 N 0.82 1.25 -0.91 2.57 2.07 -0.00 -1.47 116.25 120.57 1ocr h VAL 57 Ca 0.20 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1ocr h VAL 57 Cb 0.13 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1ocr h VAL 57 CO -0.02 0.32 0.58 0.58 0.02 0.00 0.00 177.57 179.04 1ocr h VAL 58 N 0.46 1.24 0.25 2.57 2.07 -0.75 -0.47 116.25 121.62 1ocr h VAL 58 Ca 0.11 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1ocr h VAL 58 Cb 0.43 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1ocr h VAL 58 CO 0.02 0.24 -0.12 0.74 0.02 0.00 0.00 177.57 178.47 1ocr h THR 59 N 1.25 0.81 -0.89 2.57 2.02 -1.11 -2.89 112.91 114.67 1ocr h THR 59 Ca 0.33 -0.60 0.08 0.00 0.77 0.00 0.00 66.41 66.99 1ocr h THR 59 Cb -0.10 1.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.38 1ocr h THR 59 CO -0.07 0.13 0.54 0.00 0.37 0.00 0.00 175.52 176.49 1ocr h ALA 60 N -0.01 1.26 -0.25 6.16 0.00 -1.06 -1.44 119.26 123.92 1ocr h ALA 60 Ca -0.03 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1ocr h ALA 60 Cb 0.46 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1ocr h ALA 60 CO 0.06 0.22 -0.15 1.25 0.00 0.00 0.00 179.25 180.62 1ocr h HIS 61 N 0.93 -0.37 -0.50 0.00 6.17 -1.03 -1.49 115.15 118.86 1ocr h HIS 61 Ca 0.41 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.52 1ocr h HIS 61 Cb 0.30 0.20 -0.02 0.00 2.52 0.00 0.00 27.41 30.41 1ocr h HIS 61 CO -0.03 -0.22 0.31 0.00 0.71 0.00 0.00 177.93 178.70 1ocr h ALA 62 N 1.05 0.64 -0.54 5.26 0.00 -1.06 -2.53 119.26 122.09 1ocr h ALA 62 Ca 0.14 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1ocr h ALA 62 Cb 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ocr h ALA 62 CO -0.33 0.11 -0.10 0.74 0.00 0.00 0.00 179.25 179.66 1ocr h PHE 63 N 0.67 1.12 0.33 0.00 0.04 -1.06 -2.03 116.94 116.02 1ocr h PHE 63 Ca 0.18 -0.23 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 1ocr h PHE 63 Cb -0.03 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 37.84 1ocr h PHE 63 CO -0.03 1.04 -0.16 0.28 -0.60 0.00 0.00 178.31 178.84 1ocr h VAL 64 N 0.90 0.68 -0.72 -0.55 2.07 -1.22 0.48 116.25 117.89 1ocr h VAL 64 Ca 0.14 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1ocr h VAL 64 Cb 0.66 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1ocr h VAL 64 CO 0.05 0.08 0.45 0.24 0.02 0.00 0.00 177.57 178.41 1ocr h MET 65 N -0.69 0.97 0.23 1.57 2.86 -1.48 -0.14 114.93 118.25 1ocr h MET 65 Ca -0.05 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1ocr h MET 65 Cb 0.48 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1ocr h MET 65 CO 0.08 0.67 -0.11 0.82 1.06 0.00 0.00 176.91 179.42 1ocr h ILE 66 N 0.98 0.04 0.00 -1.22 2.04 -1.35 -0.24 117.51 117.75 1ocr h ILE 66 Ca 0.26 -0.79 -0.19 0.00 1.00 0.00 0.00 64.86 65.14 1ocr h ILE 66 Cb -0.06 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.06 1ocr h ILE 66 CO -0.05 0.01 -0.93 -0.26 0.00 0.00 0.00 178.15 176.92 1ocr h PHE 67 N -1.08 0.00 -0.01 1.37 0.04 -0.98 -3.02 116.94 113.27 1ocr h PHE 67 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1ocr h PHE 67 Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1ocr h PHE 67 CO 0.00 0.87 -0.33 1.19 -0.60 0.00 0.00 178.31 179.44 1ocr n PHE 68 N -3.29 0.00 0.01 -0.55 3.72 -0.17 -4.42 117.46 112.77 1ocr n PHE 68 Ca -0.01 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1ocr n PHE 68 Cb 0.89 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.43 1ocr n PHE 68 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 1ocr n MET 69 N -0.57 0.01 0.26 -1.08 1.56 -0.58 -4.24 117.12 112.48 1ocr n MET 69 Ca 0.04 0.00 -0.16 0.00 -0.27 0.00 0.00 57.70 57.31 1ocr n MET 69 Cb 0.22 -0.21 -0.08 0.00 2.15 0.00 0.00 33.22 35.30 1ocr n MET 69 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1ocr h VAL 70 N -0.02 0.45 -0.47 1.12 2.07 -1.14 -2.55 116.25 115.70 1ocr h VAL 70 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1ocr h VAL 70 Cb 0.02 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1ocr h VAL 70 CO 0.00 0.00 0.17 0.24 0.02 0.00 0.00 177.57 178.00 1ocr h MET 71 N -0.67 0.72 -0.56 1.57 2.07 -1.77 -1.38 114.93 114.91 1ocr h MET 71 Ca -0.05 -0.14 -0.02 0.00 -2.07 0.00 0.00 59.70 57.42 1ocr h MET 71 Cb 0.55 -0.11 -0.03 0.00 -1.87 0.00 0.00 31.60 30.14 1ocr h MET 71 CO 0.05 0.67 0.26 -1.35 1.07 0.00 0.00 176.91 177.61 1ocr h PRO 72 N 0.63 0.81 0.38 -0.22 0.11 -1.77 -1.02 132.00 130.93 1ocr h PRO 72 Ca 0.16 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 1ocr h PRO 72 Cb 0.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1ocr h PRO 72 CO -0.01 0.67 -0.18 0.82 -0.21 0.00 0.00 178.00 179.09 1ocr h ILE 73 N 0.76 0.59 0.14 4.15 2.04 -1.35 0.73 117.51 124.56 1ocr h ILE 73 Ca 0.19 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1ocr h ILE 73 Cb 0.14 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1ocr h ILE 73 CO -0.02 0.08 -0.07 0.24 0.00 0.00 0.00 178.15 178.38 1ocr h MET 74 N -0.79 -0.18 0.00 2.37 2.86 -1.30 -0.23 114.93 117.67 1ocr h MET 74 Ca -0.05 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1ocr h MET 74 Cb 0.53 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1ocr h MET 74 CO 0.09 0.15 -0.59 0.82 1.06 0.00 0.00 176.91 178.43 1ocr h ILE 75 N -0.53 0.57 -0.36 -1.22 2.04 -1.33 -2.74 117.51 113.94 1ocr h ILE 75 Ca -0.02 -1.59 -0.13 0.00 1.00 0.00 0.00 64.86 64.12 1ocr h ILE 75 Cb 0.41 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1ocr h ILE 75 CO 0.03 0.19 -0.28 1.23 0.00 0.00 0.00 178.15 179.32 1ocr h GLY 76 N -1.00 0.83 0.00 5.37 0.00 -1.03 -1.90 103.07 105.34 1ocr h GLY 76 Ca -0.12 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.46 1ocr h GLY 76 CO -0.07 0.68 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1ocr n GLY 77 N -0.13 0.39 0.26 4.60 0.00 0.24 -3.18 105.19 107.37 1ocr n GLY 77 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1ocr n GLY 77 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ocr h PHE 78 N 0.00 0.00 0.13 1.61 0.04 -1.12 -2.45 116.94 115.16 1ocr h PHE 78 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1ocr h PHE 78 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1ocr h PHE 78 CO 0.00 0.09 -0.06 0.78 -0.60 0.00 0.00 178.31 178.51 1ocr h GLY 79 N 0.38 -0.19 0.99 -1.45 0.00 -1.02 -2.38 103.07 99.41 1ocr h GLY 79 Ca -0.00 0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 1ocr h GLY 79 CO 0.01 -0.07 0.00 3.43 0.00 0.00 0.00 176.54 179.92 1ocr h ASN 80 N -0.59 0.81 0.15 0.19 2.35 -1.50 -1.18 115.58 115.81 1ocr h ASN 80 Ca -0.02 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 1ocr h ASN 80 Cb 0.45 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1ocr h ASN 80 CO 0.03 0.92 -0.07 -0.50 -1.65 0.00 0.00 177.43 176.16 1ocr h TRP 81 N 0.68 -0.18 0.08 1.19 4.06 -1.52 -3.38 115.95 116.88 1ocr h TRP 81 Ca 0.13 -0.00 -0.32 0.00 2.06 0.00 0.00 58.89 60.76 1ocr h TRP 81 Cb 0.50 0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.70 1ocr h TRP 81 CO 0.04 -0.02 -1.74 -0.07 -3.56 0.00 0.00 178.44 173.09 1ocr h LEU 82 N -0.31 0.26 -0.07 -4.49 3.38 -1.48 -3.38 115.31 109.22 1ocr h LEU 82 Ca -0.02 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.50 1ocr h LEU 82 Cb 0.24 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1ocr h LEU 82 CO 0.03 1.43 -0.30 0.58 0.09 0.00 0.00 178.44 180.27 1ocr h VAL 83 N 0.05 0.32 -0.81 1.22 2.07 -1.37 -0.06 116.25 117.67 1ocr h VAL 83 Ca -0.31 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1ocr h VAL 83 Cb 2.02 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 1ocr h VAL 83 CO 0.11 0.00 0.39 -0.65 0.02 0.00 0.00 177.57 177.44 1ocr h PRO 84 N -0.41 1.16 -0.28 1.57 0.11 -1.79 -2.45 132.00 129.92 1ocr h PRO 84 Ca 0.08 -0.17 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 1ocr h PRO 84 Cb 0.53 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 1ocr h PRO 84 CO -0.31 0.89 -0.04 -0.07 -0.21 0.00 0.00 178.00 178.27 1ocr h LEU 85 N 1.15 0.40 -0.15 2.35 3.38 -1.62 -0.89 115.31 119.94 1ocr h LEU 85 Ca 0.28 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ocr h LEU 85 Cb 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ocr h LEU 85 CO -0.04 0.50 0.00 0.24 0.09 0.00 0.00 178.44 179.23 1ocr h MET 86 N 0.41 0.00 -0.09 1.13 2.86 -0.54 -3.25 114.93 115.46 1ocr h MET 86 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1ocr h MET 86 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1ocr h MET 86 CO 0.01 0.00 0.00 0.44 1.06 0.00 0.00 176.91 178.42 1ocr n ILE 87 N -2.62 1.31 -3.34 -1.22 -5.35 -0.95 -4.77 119.36 102.41 1ocr n ILE 87 Ca 0.04 -1.36 -0.19 0.00 -0.27 0.00 0.00 62.75 60.97 1ocr n ILE 87 Cb 0.44 0.27 0.06 0.00 -1.74 0.00 0.00 39.64 38.67 1ocr n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ocr n GLY 88 N -0.52 -0.23 3.86 3.28 0.00 -0.53 -4.14 105.19 106.91 1ocr n GLY 88 Ca 0.08 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1ocr n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ocr s ALA 89 N -3.24 3.83 0.30 4.61 0.00 -0.45 -4.62 121.76 122.18 1ocr s ALA 89 Ca 0.46 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.59 1ocr s ALA 89 Cb -0.20 -1.67 0.46 0.00 0.00 0.00 0.00 23.12 21.70 1ocr s ALA 89 CO 0.56 0.80 1.69 -1.00 0.00 0.00 0.00 175.76 177.81 1ocr h PRO 90 N 3.16 0.14 0.00 0.00 0.13 -1.79 -3.41 132.00 130.23 1ocr h PRO 90 Ca -0.46 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1ocr h PRO 90 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ocr h PRO 90 CO 0.72 0.59 0.00 -3.47 -0.23 0.00 0.00 178.00 175.61 1ocr n ASP 91 N -3.97 0.00 -4.90 1.44 -0.08 -1.26 -4.59 116.55 103.19 1ocr n ASP 91 Ca -0.02 -0.85 -0.29 0.00 -1.51 0.00 0.00 54.79 52.12 1ocr n ASP 91 Cb 0.51 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.06 1ocr n ASP 91 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1ocr s MET 92 N -1.55 2.08 0.23 -0.67 -1.94 -1.26 -4.90 119.30 111.28 1ocr s MET 92 Ca 0.00 0.12 -0.05 0.00 -1.71 0.00 0.00 55.69 54.06 1ocr s MET 92 Cb 0.00 -1.97 0.22 0.00 2.01 0.00 0.00 34.83 35.08 1ocr s MET 92 CO 0.00 -1.51 1.70 0.00 -0.01 0.00 0.00 175.02 175.20 1ocr h ALA 93 N -0.98 0.98 -2.64 3.03 0.00 -1.93 -3.33 119.26 114.39 1ocr h ALA 93 Ca -0.46 -0.29 -0.60 0.00 0.00 0.00 0.00 54.91 53.56 1ocr h ALA 93 Cb 1.32 -0.20 -0.40 0.00 0.00 0.00 0.00 17.79 18.50 1ocr h ALA 93 CO 0.65 0.62 -0.75 1.19 0.00 0.00 0.00 179.25 180.96 1ocr n PHE 94 N -4.19 1.66 0.29 0.00 3.72 -1.26 -4.98 117.46 112.71 1ocr n PHE 94 Ca 0.03 -3.91 0.15 0.00 -0.05 0.00 0.00 57.45 53.66 1ocr n PHE 94 Cb 0.33 -0.31 0.86 0.00 -0.94 0.00 0.00 39.48 39.42 1ocr n PHE 94 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1ocr h PRO 95 N 5.17 0.00 0.07 -1.08 0.13 -1.89 -1.08 132.00 133.32 1ocr h PRO 95 Ca 0.19 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.21 1ocr h PRO 95 Cb 0.80 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.94 1ocr h PRO 95 CO 0.60 0.04 -0.47 -0.09 -0.23 0.00 0.00 178.00 177.86 1ocr h ARG 96 N 0.00 0.19 -0.72 0.86 2.43 -1.89 -3.15 114.38 112.11 1ocr h ARG 96 Ca -0.00 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1ocr h ARG 96 Cb 0.13 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 1ocr h ARG 96 CO 0.01 1.12 0.46 1.98 -1.51 0.00 0.00 179.97 182.02 1ocr h MET 97 N -0.57 0.96 -0.92 0.20 4.05 -1.89 -0.55 114.93 116.21 1ocr h MET 97 Ca -0.08 -0.07 0.11 0.00 -0.28 0.00 0.00 59.70 59.38 1ocr h MET 97 Cb 1.34 -0.21 -0.07 0.00 -0.80 0.00 0.00 31.60 31.85 1ocr h MET 97 CO 0.09 0.65 0.59 -0.97 0.23 0.00 0.00 176.91 177.50 1ocr h ASN 98 N 0.99 0.81 0.07 1.39 -1.24 -1.25 0.96 115.58 117.30 1ocr h ASN 98 Ca 0.26 0.03 -0.07 0.00 0.71 0.00 0.00 56.30 57.24 1ocr h ASN 98 Cb -0.09 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 1ocr h ASN 98 CO -0.05 0.46 -0.21 -1.13 -1.29 0.00 0.00 177.43 175.20 1ocr h ASN 99 N 0.88 0.25 0.27 1.15 -1.24 -1.05 -2.47 115.58 113.37 1ocr h ASN 99 Ca 0.44 -0.07 -0.13 0.00 0.71 0.00 0.00 56.30 57.25 1ocr h ASN 99 Cb 0.47 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 1ocr h ASN 99 CO -0.20 0.48 -0.51 -0.03 -1.29 0.00 0.00 177.43 175.89 1ocr h MET 100 N 0.24 0.28 -0.92 6.67 4.05 -0.74 -1.79 114.93 122.72 1ocr h MET 100 Ca 0.04 -0.16 0.05 0.00 -0.28 0.00 0.00 59.70 59.36 1ocr h MET 100 Cb 0.52 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.27 1ocr h MET 100 CO 0.03 0.72 0.59 0.77 0.23 0.00 0.00 176.91 179.25 1ocr h SER 101 N 0.22 0.95 0.09 1.39 0.02 -0.95 -1.49 113.55 113.78 1ocr h SER 101 Ca 0.01 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1ocr h SER 101 Cb 0.97 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1ocr h SER 101 CO 0.08 0.62 -0.05 0.15 -1.14 0.00 0.00 176.83 176.50 1ocr h PHE 102 N 1.09 -0.12 0.00 3.45 3.57 -1.36 -3.29 116.94 120.28 1ocr h PHE 102 Ca 0.39 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1ocr h PHE 102 Cb 0.11 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1ocr h PHE 102 CO -0.02 0.37 0.00 0.91 -2.23 0.00 0.00 178.31 177.34 1ocr n TRP 103 N -4.89 0.00 0.20 0.41 7.02 -0.70 -1.66 117.44 117.82 1ocr n TRP 103 Ca -0.08 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.50 1ocr n TRP 103 Cb 0.27 -0.45 0.14 0.00 -2.42 0.00 0.00 31.31 28.85 1ocr n TRP 103 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1ocr h LEU 104 N 0.00 0.00 -0.05 -0.99 3.38 -1.35 -3.37 115.31 112.93 1ocr h LEU 104 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ocr h LEU 104 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ocr h LEU 104 CO 0.00 0.09 -0.04 -0.07 0.09 0.00 0.00 178.44 178.50 1ocr h LEU 105 N 0.00 0.13 -0.19 1.67 4.07 -1.45 -2.13 115.31 117.40 1ocr h LEU 105 Ca -0.00 -0.46 0.02 0.00 0.08 0.00 0.00 57.88 57.51 1ocr h LEU 105 Cb 1.07 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.75 1ocr h LEU 105 CO 0.01 0.56 0.08 -0.65 -1.08 0.00 0.00 178.44 177.36 1ocr h PRO 106 N -0.31 0.17 -0.45 1.13 0.11 -1.72 -0.77 132.00 130.16 1ocr h PRO 106 Ca 0.01 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.17 1ocr h PRO 106 Cb 0.52 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.54 1ocr h PRO 106 CO 0.01 0.11 0.15 -1.35 -0.21 0.00 0.00 178.00 176.71 1ocr h PRO 107 N 0.17 0.30 -0.96 1.05 0.11 -1.74 -1.08 132.00 129.86 1ocr h PRO 107 Ca 0.08 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.29 1ocr h PRO 107 Cb 0.04 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.00 1ocr h PRO 107 CO -0.07 0.20 0.59 1.03 -0.21 0.00 0.00 178.00 179.54 1ocr h SER 108 N 0.31 0.85 -0.40 -2.05 0.87 -1.07 -1.40 113.55 110.66 1ocr h SER 108 Ca 0.21 0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.71 1ocr h SER 108 Cb 0.22 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1ocr h SER 108 CO -0.23 0.45 -0.20 0.15 -0.53 0.00 0.00 176.83 176.47 1ocr h PHE 109 N 0.93 0.97 -0.22 2.24 3.04 -0.31 -2.57 116.94 121.02 1ocr h PHE 109 Ca 0.48 -0.24 0.05 0.00 3.98 0.00 0.00 57.97 62.24 1ocr h PHE 109 Cb 0.49 -0.22 -0.05 0.00 2.56 0.00 0.00 35.95 38.72 1ocr h PHE 109 CO -0.02 1.01 -0.13 1.25 -2.02 0.00 0.00 178.31 178.40 1ocr h LEU 110 N 0.65 -0.42 -0.86 0.59 5.85 -0.18 0.17 115.31 121.11 1ocr h LEU 110 Ca 0.09 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.97 1ocr h LEU 110 Cb 0.76 0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 1ocr h LEU 110 CO 0.06 -0.16 0.53 -0.07 -0.34 0.00 0.00 178.44 178.46 1ocr h LEU 111 N -0.11 0.83 -0.69 2.25 3.38 -1.27 0.44 115.31 120.15 1ocr h LEU 111 Ca 0.12 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1ocr h LEU 111 Cb 0.29 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1ocr h LEU 111 CO -0.29 0.52 0.17 0.25 0.09 0.00 0.00 178.44 179.18 1ocr h LEU 112 N 0.96 1.04 -0.69 1.67 5.85 -0.92 -1.17 115.31 122.05 1ocr h LEU 112 Ca 0.38 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1ocr h LEU 112 Cb 0.19 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1ocr h LEU 112 CO -0.18 1.00 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.78 1ocr h LEU 113 N 1.03 0.93 -1.23 2.25 3.38 0.50 -2.67 115.31 119.50 1ocr h LEU 113 Ca 0.22 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1ocr h LEU 113 Cb 0.37 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1ocr h LEU 113 CO 0.00 1.03 0.19 0.00 0.09 0.00 0.00 178.44 179.75 1ocr h ALA 114 N 1.06 1.39 -0.30 1.53 0.00 0.26 -2.59 119.26 120.62 1ocr h ALA 114 Ca 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ocr h ALA 114 Cb 0.60 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ocr h ALA 114 CO 0.04 0.46 0.02 0.66 0.00 0.00 0.00 179.25 180.42 1ocr h SER 115 N 0.71 0.41 0.11 0.00 4.64 -0.86 -1.27 113.55 117.29 1ocr h SER 115 Ca 0.17 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1ocr h SER 115 Cb 0.16 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1ocr h SER 115 CO -0.01 0.46 -0.03 -1.54 -0.87 0.00 0.00 176.83 174.83 1ocr n SER 116 N -4.32 0.61 -0.07 4.97 3.41 -0.98 -3.71 113.62 113.51 1ocr n SER 116 Ca 0.01 -1.02 -0.07 0.00 -0.26 0.00 0.00 58.87 57.53 1ocr n SER 116 Cb 0.21 -0.02 -0.12 0.00 -0.26 0.00 0.00 64.21 64.02 1ocr n SER 116 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1ocr n MET 117 N -0.63 1.54 -2.96 4.33 2.81 -0.53 -4.46 117.12 117.23 1ocr n MET 117 Ca 0.19 -0.01 -0.30 0.00 -1.81 0.00 0.00 57.70 55.78 1ocr n MET 117 Cb 0.24 -1.38 -0.03 0.00 -0.71 0.00 0.00 33.22 31.33 1ocr n MET 117 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1ocr s VAL 118 N -2.36 4.82 0.00 2.03 -7.23 -0.91 -4.91 120.40 111.84 1ocr s VAL 118 Ca -0.08 0.54 0.00 0.00 -1.81 0.00 0.00 61.98 60.63 1ocr s VAL 118 Cb 0.04 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.26 1ocr s VAL 118 CO 0.61 -0.47 0.00 -0.62 -0.31 0.00 0.00 175.10 174.31 1ocr n GLU 119 N -1.18 0.00 -0.46 4.82 -0.58 -1.26 -2.13 120.64 119.85 1ocr n GLU 119 Ca 0.02 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.84 1ocr n GLU 119 Cb 0.54 0.00 0.27 0.00 -0.57 0.00 0.00 31.44 31.67 1ocr n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ocr n ALA 120 N 7.59 2.91 -0.54 0.62 0.00 -1.26 -5.08 120.51 124.74 1ocr n ALA 120 Ca 0.00 -1.88 0.07 0.00 0.00 0.00 0.00 53.44 51.64 1ocr n ALA 120 Cb 0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 1ocr n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ocr n GLY 121 N 0.12 -1.70 3.28 0.00 0.00 -0.91 -4.66 105.19 101.33 1ocr n GLY 121 Ca 0.20 -1.38 -0.45 0.00 0.00 0.00 0.00 46.02 44.39 1ocr n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ocr s ALA 122 N -1.74 3.92 -1.20 4.61 0.00 -1.26 -4.84 121.76 121.25 1ocr s ALA 122 Ca 0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 51.96 48.73 1ocr s ALA 122 Cb 0.00 -3.31 0.21 0.00 0.00 0.00 0.00 23.12 20.02 1ocr s ALA 122 CO 0.00 -2.20 2.05 0.41 0.00 0.00 0.00 175.76 176.02 1ocr n GLY 123 N 4.08 5.44 0.00 0.00 0.00 -1.26 -4.46 105.19 109.00 1ocr n GLY 123 Ca 0.08 -2.29 0.07 0.00 0.00 0.00 0.00 46.02 43.89 1ocr n GLY 123 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ocr n THR 124 N 1.34 0.00 0.00 2.61 -2.24 -1.26 -4.77 114.28 109.96 1ocr n THR 124 Ca 0.51 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 1ocr n THR 124 Cb 0.27 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1ocr n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ocr n GLY 125 N 1.37 -0.12 0.03 3.38 0.00 -1.26 -3.91 105.19 104.68 1ocr n GLY 125 Ca 0.03 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 44.49 1ocr n GLY 125 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1ocr n TRP 126 N 0.17 0.19 0.71 1.61 4.27 -1.26 -1.29 117.44 121.84 1ocr n TRP 126 Ca 0.00 0.08 0.13 0.00 -3.89 0.00 0.00 57.50 53.82 1ocr n TRP 126 Cb 0.00 -0.62 0.40 0.00 -1.36 0.00 0.00 31.31 29.72 1ocr n TRP 126 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 1ocr n THR 127 N -1.68 0.42 -3.88 -1.67 -2.24 -1.26 -4.94 114.28 99.02 1ocr n THR 127 Ca 0.03 -0.22 -0.24 0.00 -2.27 0.00 0.00 64.05 61.35 1ocr n THR 127 Cb 0.18 -0.45 -0.08 0.00 -2.10 0.00 0.00 70.33 67.88 1ocr n THR 127 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1ocr n VAL 128 N -2.06 -0.74 -2.30 2.28 3.14 -0.41 -4.87 118.33 113.36 1ocr n VAL 128 Ca 0.05 -0.37 -0.39 0.00 -2.96 0.00 0.00 64.34 60.67 1ocr n VAL 128 Cb 0.41 -0.75 -0.03 0.00 -1.06 0.00 0.00 33.84 32.41 1ocr n VAL 128 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 1ocr s TYR 129 N -4.02 3.19 0.41 1.45 2.02 -1.26 -4.73 117.35 114.42 1ocr s TYR 129 Ca 0.02 1.56 -0.02 0.00 -0.37 0.00 0.00 57.07 58.25 1ocr s TYR 129 Cb -0.01 -3.43 -0.03 0.00 -0.40 0.00 0.00 41.96 38.08 1ocr s TYR 129 CO 0.76 -1.25 0.66 -1.25 -1.57 0.00 0.00 175.55 172.91 1ocr s PRO 130 N -1.96 3.48 0.51 -1.71 0.04 -1.26 -1.58 135.00 132.51 1ocr s PRO 130 Ca 0.52 -0.10 0.30 0.00 0.04 0.00 0.00 61.00 61.76 1ocr s PRO 130 Cb -0.33 -2.53 1.12 0.00 0.04 0.00 0.00 34.50 32.81 1ocr s PRO 130 CO 0.43 -0.04 1.90 -1.35 0.04 0.00 0.00 177.00 177.97 1ocr h PRO 131 N 0.49 0.00 -0.82 0.56 0.11 -1.94 -3.45 132.00 126.95 1ocr h PRO 131 Ca -0.48 0.00 0.21 0.00 0.11 0.00 0.00 66.00 65.83 1ocr h PRO 131 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1ocr h PRO 131 CO 0.61 0.06 0.57 1.25 -0.21 0.00 0.00 178.00 180.28 1ocr h LEU 132 N 0.00 0.20 -1.08 2.35 5.85 -1.96 0.31 115.31 120.98 1ocr h LEU 132 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1ocr h LEU 132 Cb 0.64 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1ocr h LEU 132 CO 0.01 0.09 -0.03 0.00 -0.34 0.00 0.00 178.44 178.17 1ocr n ALA 133 N -2.60 2.61 -1.19 1.25 0.00 -0.62 -3.78 120.51 116.18 1ocr n ALA 133 Ca 0.17 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.84 1ocr n ALA 133 Cb 0.75 -1.10 0.20 0.00 0.00 0.00 0.00 19.45 19.29 1ocr n ALA 133 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ocr s GLY 134 N -2.04 1.57 0.00 0.00 0.00 0.11 -4.75 107.32 102.20 1ocr s GLY 134 Ca 0.35 -0.59 0.15 0.00 0.00 0.00 0.00 44.72 44.63 1ocr s GLY 134 CO 0.35 0.11 1.38 1.16 0.00 0.00 0.00 173.10 176.09 1ocr n ASN 135 N -4.34 0.00 -0.08 1.64 0.23 -1.26 -1.82 115.26 109.63 1ocr n ASN 135 Ca 0.08 -0.86 -0.08 0.00 -0.53 0.00 0.00 54.58 53.19 1ocr n ASN 135 Cb 0.58 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.26 1ocr n ASN 135 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1ocr n LEU 136 N -0.86 1.83 0.25 -4.53 -0.00 -1.26 -3.88 117.00 108.55 1ocr n LEU 136 Ca 0.11 0.36 0.15 0.00 -0.00 0.00 0.00 56.01 56.63 1ocr n LEU 136 Cb 0.05 -0.75 0.48 0.00 -0.00 0.00 0.00 43.42 43.21 1ocr n LEU 136 CO 0.09 -0.31 0.91 0.00 -0.00 0.00 0.00 177.39 178.08 1ocr h ALA 137 N -1.05 1.00 -2.07 1.96 0.00 -1.76 -3.33 119.26 114.00 1ocr h ALA 137 Ca 0.00 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.32 1ocr h ALA 137 Cb 0.89 -0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.28 1ocr h ALA 137 CO 0.00 0.03 -1.03 0.72 0.00 0.00 0.00 179.25 178.97 1ocr n HIS 138 N -3.11 0.12 -2.32 0.00 8.25 -0.76 -4.97 115.22 112.43 1ocr n HIS 138 Ca 0.02 -3.62 -0.33 0.00 -0.26 0.00 0.00 57.72 53.53 1ocr n HIS 138 Cb 0.40 -0.32 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 1ocr n HIS 138 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ocr s ALA 139 N -1.23 2.90 0.00 -1.41 0.00 -1.25 -4.44 121.76 116.33 1ocr s ALA 139 Ca 0.35 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1ocr s ALA 139 Cb 0.15 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1ocr s ALA 139 CO -0.11 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1ocr n GLY 140 N -1.02 1.32 0.27 0.00 0.00 -1.26 -4.79 105.19 99.71 1ocr n GLY 140 Ca 0.08 -2.10 0.16 0.00 0.00 0.00 0.00 46.02 44.16 1ocr n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ocr h ALA 141 N 0.00 1.03 -0.45 4.61 0.00 -1.94 -3.38 119.26 119.13 1ocr h ALA 141 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1ocr h ALA 141 Cb 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.69 1ocr h ALA 141 CO 0.00 0.08 -0.52 0.77 0.00 0.00 0.00 179.25 179.58 1ocr h SER 142 N 0.00 -1.75 -0.40 0.00 0.02 -1.85 0.10 113.55 109.67 1ocr h SER 142 Ca -0.00 0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1ocr h SER 142 Cb 0.51 0.73 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 1ocr h SER 142 CO 0.01 -0.39 0.06 0.58 -1.14 0.00 0.00 176.83 175.95 1ocr h VAL 143 N -0.35 1.22 -0.44 2.27 2.07 -1.87 -1.07 116.25 118.08 1ocr h VAL 143 Ca 0.10 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 1ocr h VAL 143 Cb 0.59 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1ocr h VAL 143 CO -0.62 0.31 -0.03 0.44 0.02 0.00 0.00 177.57 177.69 1ocr h ASP 144 N 0.72 0.71 -0.31 0.57 3.32 -1.45 0.12 116.42 120.09 1ocr h ASP 144 Ca 0.15 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 1ocr h ASP 144 Cb 0.35 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1ocr h ASP 144 CO 0.01 0.80 -0.14 -0.07 -1.72 0.00 0.00 179.24 178.11 1ocr h LEU 145 N 0.68 0.75 -0.42 1.55 3.38 -0.25 -0.93 115.31 120.07 1ocr h LEU 145 Ca 0.13 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1ocr h LEU 145 Cb 0.47 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1ocr h LEU 145 CO 0.02 0.91 0.03 0.74 0.09 0.00 0.00 178.44 180.24 1ocr h THR 146 N 0.68 1.25 -0.63 0.22 2.02 -0.42 -1.72 112.91 114.31 1ocr h THR 146 Ca 0.11 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1ocr h THR 146 Cb 0.63 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1ocr h THR 146 CO 0.04 0.33 0.39 0.40 0.37 0.00 0.00 175.52 177.05 1ocr h ILE 147 N 0.57 1.18 -0.33 3.11 2.04 -0.16 -2.52 117.51 121.40 1ocr h ILE 147 Ca 0.12 -0.40 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 1ocr h ILE 147 Cb 0.43 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1ocr h ILE 147 CO 0.01 0.19 -0.15 -0.26 0.00 0.00 0.00 178.15 177.94 1ocr h PHE 148 N 0.86 0.64 -0.53 1.37 0.04 -0.97 -1.76 116.94 116.59 1ocr h PHE 148 Ca 0.23 -0.11 0.03 0.00 2.80 0.00 0.00 57.97 60.91 1ocr h PHE 148 Cb -0.03 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 37.92 1ocr h PHE 148 CO -0.02 0.71 0.32 1.03 -0.60 0.00 0.00 178.31 179.75 1ocr h SER 149 N 0.53 0.51 0.18 2.17 0.87 -0.95 -1.45 113.55 115.41 1ocr h SER 149 Ca 0.09 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.60 1ocr h SER 149 Cb 0.57 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1ocr h SER 149 CO 0.04 0.36 -0.23 -0.07 -0.53 0.00 0.00 176.83 176.39 1ocr h LEU 150 N 0.63 0.11 -0.16 2.23 4.07 -1.13 -1.09 115.31 119.97 1ocr h LEU 150 Ca 0.22 -0.03 -0.05 0.00 0.08 0.00 0.00 57.88 58.10 1ocr h LEU 150 Cb 0.03 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 1ocr h LEU 150 CO -0.10 0.35 -0.10 0.45 -1.08 0.00 0.00 178.44 177.96 1ocr h HIS 151 N 0.11 0.41 -0.55 1.13 3.86 -0.39 -0.93 115.15 118.79 1ocr h HIS 151 Ca 0.02 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 1ocr h HIS 151 Cb 0.48 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 1ocr h HIS 151 CO 0.00 0.69 0.26 -0.07 0.86 0.00 0.00 177.93 179.67 1ocr h LEU 152 N 0.01 0.72 -1.39 2.43 3.38 -1.11 0.69 115.31 120.05 1ocr h LEU 152 Ca 0.03 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1ocr h LEU 152 Cb 0.59 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1ocr h LEU 152 CO 0.03 0.65 -0.30 0.00 0.09 0.00 0.00 178.44 178.91 1ocr h ALA 153 N 1.10 1.50 -0.06 1.53 0.00 -1.17 0.12 119.26 122.28 1ocr h ALA 153 Ca 0.19 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1ocr h ALA 153 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ocr h ALA 153 CO -0.02 0.38 -0.15 0.78 0.00 0.00 0.00 179.25 180.24 1ocr h GLY 154 N 0.90 0.22 0.70 0.00 0.00 -0.27 -2.40 103.07 102.22 1ocr h GLY 154 Ca -0.00 -0.27 0.06 0.00 0.00 0.00 0.00 47.33 47.12 1ocr h GLY 154 CO 0.04 0.24 0.52 -2.08 0.00 0.00 0.00 176.54 175.26 1ocr h VAL 155 N -0.32 1.03 -0.03 4.60 2.07 -0.42 -0.54 116.25 122.63 1ocr h VAL 155 Ca -0.00 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1ocr h VAL 155 Cb 0.76 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1ocr h VAL 155 CO 0.03 0.17 -0.09 -1.28 0.02 0.00 0.00 177.57 176.42 1ocr h SER 156 N 0.94 -0.26 0.80 0.57 0.87 -0.89 -1.51 113.55 114.07 1ocr h SER 156 Ca 0.37 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.90 1ocr h SER 156 Cb 0.19 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1ocr h SER 156 CO -0.18 -0.13 -0.34 0.28 -0.53 0.00 0.00 176.83 175.93 1ocr h SER 157 N -0.14 0.00 -0.10 6.23 0.02 -0.88 -1.32 113.55 117.36 1ocr h SER 157 Ca 0.05 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1ocr h SER 157 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1ocr h SER 157 CO -0.11 0.34 -0.21 0.40 -1.14 0.00 0.00 176.83 176.10 1ocr h ILE 158 N 0.00 1.39 -0.68 3.27 2.04 -0.74 -0.55 117.51 122.24 1ocr h ILE 158 Ca -0.00 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1ocr h ILE 158 Cb 0.83 2.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.99 1ocr h ILE 158 CO 0.04 0.43 0.42 -0.07 0.00 0.00 0.00 178.15 178.98 1ocr h LEU 159 N -0.11 0.79 -0.63 1.44 4.07 -1.16 -1.66 115.31 118.05 1ocr h LEU 159 Ca 0.00 -0.03 -0.13 0.00 0.08 0.00 0.00 57.88 57.80 1ocr h LEU 159 Cb 0.80 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 1ocr h LEU 159 CO 0.05 0.60 -0.27 1.23 -1.08 0.00 0.00 178.44 178.96 1ocr h GLY 160 N 0.94 0.85 1.04 0.83 0.00 -1.07 -2.53 103.07 103.14 1ocr h GLY 160 Ca 0.25 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.74 1ocr h GLY 160 CO -0.05 0.70 0.17 0.00 0.00 0.00 0.00 176.54 177.36 1ocr h ALA 161 N 1.02 0.88 -0.84 3.60 0.00 -0.22 -1.15 119.26 122.56 1ocr h ALA 161 Ca 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1ocr h ALA 161 Cb 0.80 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1ocr h ALA 161 CO 0.07 0.58 0.49 0.82 0.00 0.00 0.00 179.25 181.22 1ocr h ILE 162 N 0.99 1.24 0.13 0.00 2.04 -1.14 -1.33 117.51 119.43 1ocr h ILE 162 Ca 0.21 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1ocr h ILE 162 Cb 0.35 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1ocr h ILE 162 CO 0.00 0.25 -0.06 -1.13 0.00 0.00 0.00 178.15 177.21 1ocr h ASN 163 N 1.15 -0.14 -0.63 1.72 -0.73 -1.01 -1.66 115.58 114.28 1ocr h ASN 163 Ca 0.30 -0.12 -0.03 0.00 1.87 0.00 0.00 56.30 58.32 1ocr h ASN 163 Cb -0.03 0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.57 1ocr h ASN 163 CO -0.05 0.03 0.26 -0.26 -0.37 0.00 0.00 177.43 177.04 1ocr h PHE 164 N -0.31 0.95 -0.26 0.67 0.04 -1.10 -0.23 116.94 116.71 1ocr h PHE 164 Ca -0.02 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.63 1ocr h PHE 164 Cb 0.25 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 1ocr h PHE 164 CO -0.02 0.74 -0.06 0.82 -0.60 0.00 0.00 178.31 179.19 1ocr h ILE 165 N 0.88 1.28 -0.12 -0.55 2.04 -1.21 -1.36 117.51 118.48 1ocr h ILE 165 Ca 0.21 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1ocr h ILE 165 Cb 0.19 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1ocr h ILE 165 CO -0.02 0.33 0.08 0.74 0.00 0.00 0.00 178.15 179.28 1ocr h THR 166 N 0.24 1.03 0.37 -0.27 2.02 -1.14 -1.61 112.91 113.56 1ocr h THR 166 Ca 0.07 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1ocr h THR 166 Cb 0.52 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1ocr h THR 166 CO 0.02 0.03 -0.34 0.74 0.37 0.00 0.00 175.52 176.35 1ocr h THR 167 N 0.15 0.30 -0.22 3.16 2.02 -1.02 0.13 112.91 117.44 1ocr h THR 167 Ca 0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1ocr h THR 167 Cb -0.01 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1ocr h THR 167 CO -0.01 0.00 0.12 0.40 0.37 0.00 0.00 175.52 176.40 1ocr h ILE 168 N -0.73 1.07 0.12 3.11 2.04 -1.19 -0.07 117.51 121.86 1ocr h ILE 168 Ca -0.03 -0.18 -0.32 0.00 1.00 0.00 0.00 64.86 65.33 1ocr h ILE 168 Cb 0.65 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1ocr h ILE 168 CO -0.04 0.08 -1.65 0.40 0.00 0.00 0.00 178.15 176.93 1ocr h ILE 169 N 0.30 1.01 0.00 -0.67 2.04 -1.03 -3.41 117.51 115.75 1ocr h ILE 169 Ca 0.08 -2.68 -0.10 0.00 1.00 0.00 0.00 64.86 63.17 1ocr h ILE 169 Cb 0.01 2.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1ocr h ILE 169 CO -0.01 0.80 -2.01 -3.20 0.00 0.00 0.00 178.15 173.73 1ocr n ASN 170 N -3.43 0.09 -1.83 1.72 5.15 0.44 -4.68 115.26 112.71 1ocr n ASN 170 Ca -0.20 0.04 -0.20 0.00 -0.60 0.00 0.00 54.58 53.61 1ocr n ASN 170 Cb 1.05 1.59 0.12 0.00 -0.53 0.00 0.00 39.78 42.00 1ocr n ASN 170 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1ocr n MET 171 N -2.43 2.60 -3.11 1.20 2.81 -0.05 -5.00 117.12 113.14 1ocr n MET 171 Ca -0.11 -3.47 -0.20 0.00 -1.81 0.00 0.00 57.70 52.11 1ocr n MET 171 Cb 0.72 -2.11 0.01 0.00 -0.71 0.00 0.00 33.22 31.13 1ocr n MET 171 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1ocr s LYS 172 N -3.51 2.97 0.32 0.03 1.02 -1.26 -4.46 119.74 114.83 1ocr s LYS 172 Ca 0.53 -0.83 -0.29 0.00 0.02 0.00 0.00 55.97 55.40 1ocr s LYS 172 Cb 0.44 -2.67 -0.11 0.00 -0.52 0.00 0.00 37.83 34.97 1ocr s LYS 172 CO 0.02 -0.22 1.54 -2.14 -0.92 0.00 0.00 175.35 173.63 1ocr s PRO 173 N -4.42 4.13 0.55 -1.68 0.02 -1.26 -4.83 135.00 127.52 1ocr s PRO 173 Ca 0.49 2.55 0.44 0.00 0.02 0.00 0.00 61.00 64.50 1ocr s PRO 173 Cb -0.10 -3.01 1.65 0.00 0.02 0.00 0.00 34.50 33.06 1ocr s PRO 173 CO 0.35 -0.58 1.68 -1.35 -0.33 0.00 0.00 177.00 176.77 1ocr h PRO 174 N 4.28 0.00 0.00 5.54 0.11 -1.95 0.30 132.00 140.28 1ocr h PRO 174 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ocr h PRO 174 Cb 1.23 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ocr h PRO 174 CO 0.74 0.00 -0.91 0.00 -0.21 0.00 0.00 178.00 177.63 1ocr n ALA 175 N -2.85 3.01 -2.66 -0.75 0.00 -1.26 -4.87 120.51 111.12 1ocr n ALA 175 Ca 0.36 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 1ocr n ALA 175 Cb 1.66 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 1ocr n ALA 175 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1ocr s MET 176 N -3.23 4.29 0.70 0.00 0.00 0.09 -4.97 119.30 116.17 1ocr s MET 176 Ca 0.03 1.28 -0.06 0.00 0.00 0.00 0.00 55.69 56.94 1ocr s MET 176 Cb 0.13 -3.61 0.07 0.00 0.00 0.00 0.00 34.83 31.41 1ocr s MET 176 CO 0.77 -0.52 1.00 -1.54 0.00 0.00 0.00 175.02 174.74 1ocr s SER 177 N 1.19 4.76 0.53 1.11 1.04 -1.26 -4.75 113.70 116.32 1ocr s SER 177 Ca 0.43 0.35 0.24 0.00 0.48 0.00 0.00 55.95 57.46 1ocr s SER 177 Cb -0.16 -0.99 1.45 0.00 0.10 0.00 0.00 66.02 66.43 1ocr s SER 177 CO 0.09 -1.62 2.12 -0.61 0.98 0.00 0.00 173.24 174.20 1ocr h GLN 178 N -0.58 0.00 -0.34 4.02 5.75 -1.96 -0.89 115.11 121.11 1ocr h GLN 178 Ca -0.44 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 1ocr h GLN 178 Cb 1.31 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.86 1ocr h GLN 178 CO 0.57 0.09 0.00 0.66 -2.65 0.00 0.00 178.83 177.50 1ocr n TYR 179 N -3.93 0.13 -0.32 3.99 4.01 -1.26 -2.44 117.16 117.33 1ocr n TYR 179 Ca -0.02 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1ocr n TYR 179 Cb 0.18 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 1ocr n TYR 179 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1ocr n GLN 180 N -0.19 0.88 -3.22 -0.72 6.02 -0.34 -5.04 117.38 114.78 1ocr n GLN 180 Ca 0.02 -0.82 -0.37 0.00 -0.01 0.00 0.00 57.00 55.82 1ocr n GLN 180 Cb 0.14 -0.84 -0.06 0.00 1.02 0.00 0.00 30.24 30.51 1ocr n GLN 180 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1ocr s THR 181 N -0.39 4.69 0.86 5.09 -4.23 -1.02 -4.94 115.64 115.70 1ocr s THR 181 Ca 0.00 1.17 -0.12 0.00 -1.18 0.00 0.00 61.69 61.56 1ocr s THR 181 Cb 0.00 -3.86 0.10 0.00 1.34 0.00 0.00 72.50 70.08 1ocr s THR 181 CO 0.00 0.36 1.12 -2.65 -0.54 0.00 0.00 174.62 172.90 1ocr n PRO 182 N 1.14 -0.10 -0.20 3.99 -0.02 -1.26 -4.82 135.00 133.72 1ocr n PRO 182 Ca -0.06 0.04 0.07 0.00 -2.02 0.00 0.00 63.50 61.53 1ocr n PRO 182 Cb 0.51 -2.36 0.35 0.00 -0.02 0.00 0.00 33.50 31.97 1ocr n PRO 182 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1ocr h LEU 183 N -1.33 0.68 -0.35 2.45 3.38 -1.97 -1.57 115.31 116.60 1ocr h LEU 183 Ca -0.45 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.54 1ocr h LEU 183 Cb 1.29 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1ocr h LEU 183 CO 0.43 0.43 0.22 0.15 0.09 0.00 0.00 178.44 179.77 1ocr h PHE 184 N 0.77 0.42 -0.90 1.13 3.57 -1.92 0.36 116.94 120.37 1ocr h PHE 184 Ca 0.33 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.90 1ocr h PHE 184 Cb 0.30 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 1ocr h PHE 184 CO -0.00 0.26 0.57 0.28 -2.23 0.00 0.00 178.31 177.19 1ocr h VAL 185 N 0.46 1.08 -0.56 1.41 2.07 -1.66 0.15 116.25 119.20 1ocr h VAL 185 Ca 0.13 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1ocr h VAL 185 Cb -0.04 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.64 1ocr h VAL 185 CO -0.04 0.19 0.10 -0.50 0.02 0.00 0.00 177.57 177.34 1ocr h TRP 186 N 1.06 0.98 -0.91 1.57 4.06 -0.70 -0.28 115.95 121.72 1ocr h TRP 186 Ca 0.38 -0.13 -0.01 0.00 2.06 0.00 0.00 58.89 61.19 1ocr h TRP 186 Cb 0.13 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 27.98 1ocr h TRP 186 CO -0.02 0.86 0.53 0.66 -3.56 0.00 0.00 178.44 176.90 1ocr h SER 187 N 0.81 1.12 1.80 -3.49 4.64 0.10 -0.65 113.55 117.89 1ocr h SER 187 Ca 0.17 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1ocr h SER 187 Cb 0.40 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1ocr h SER 187 CO 0.01 0.88 -0.06 -0.37 -0.87 0.00 0.00 176.83 176.42 1ocr h VAL 188 N 1.27 0.11 -0.09 0.95 -1.51 -0.34 -2.67 116.25 113.97 1ocr h VAL 188 Ca 0.32 -1.07 -0.07 0.00 -1.23 0.00 0.00 66.70 64.65 1ocr h VAL 188 Cb -0.01 1.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 1ocr h VAL 188 CO -0.06 0.06 -0.22 -0.03 -1.23 0.00 0.00 177.57 176.09 1ocr h MET 189 N 0.00 0.31 -0.92 5.19 -1.53 0.26 -2.18 114.93 116.06 1ocr h MET 189 Ca -0.00 -0.21 -0.00 0.00 -3.44 0.00 0.00 59.70 56.05 1ocr h MET 189 Cb 0.98 0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 32.01 1ocr h MET 189 CO 0.01 0.81 0.57 0.82 0.14 0.00 0.00 176.91 179.27 1ocr h ILE 190 N -0.15 1.25 -0.42 1.77 2.04 -1.19 -1.93 117.51 118.88 1ocr h ILE 190 Ca -0.00 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 1ocr h ILE 190 Cb 0.82 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1ocr h ILE 190 CO 0.05 0.25 0.25 0.74 0.00 0.00 0.00 178.15 179.44 1ocr h THR 191 N 1.26 1.14 -0.80 -0.27 2.02 -1.50 -1.56 112.91 113.21 1ocr h THR 191 Ca 0.33 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 67.22 1ocr h THR 191 Cb -0.08 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1ocr h THR 191 CO -0.07 0.14 0.53 0.00 0.37 0.00 0.00 175.52 176.49 1ocr h ALA 192 N 1.11 1.48 -0.38 6.16 0.00 -0.78 -0.02 119.26 126.84 1ocr h ALA 192 Ca 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1ocr h ALA 192 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1ocr h ALA 192 CO -0.03 0.45 0.09 0.28 0.00 0.00 0.00 179.25 180.05 1ocr h VAL 193 N 1.02 1.23 -0.76 0.00 2.07 -0.59 -1.27 116.25 117.95 1ocr h VAL 193 Ca 0.31 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1ocr h VAL 193 Cb -0.03 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1ocr h VAL 193 CO -0.08 0.27 0.49 -0.07 0.02 0.00 0.00 177.57 178.20 1ocr h LEU 194 N 0.47 0.84 -0.75 2.57 4.07 -0.35 -1.74 115.31 120.43 1ocr h LEU 194 Ca 0.12 -0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.99 1ocr h LEU 194 Cb 0.32 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.83 1ocr h LEU 194 CO 0.00 0.60 0.09 -0.07 -1.08 0.00 0.00 178.44 177.98 1ocr h LEU 195 N 0.99 1.00 -1.10 1.67 3.38 -0.83 -0.55 115.31 119.87 1ocr h LEU 195 Ca 0.29 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1ocr h LEU 195 Cb -0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 1ocr h LEU 195 CO -0.08 1.00 0.26 0.25 0.09 0.00 0.00 178.44 179.96 1ocr h LEU 196 N 0.98 0.81 0.00 1.67 5.85 -0.37 -2.28 115.31 121.98 1ocr h LEU 196 Ca 0.19 -0.10 -0.19 0.00 0.84 0.00 0.00 57.88 58.62 1ocr h LEU 196 Cb 0.43 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1ocr h LEU 196 CO 0.01 0.72 -1.46 0.18 -0.34 0.00 0.00 178.44 177.55 1ocr n LEU 197 N -4.32 0.88 -0.04 2.25 4.77 -0.88 -4.47 117.00 115.18 1ocr n LEU 197 Ca 0.05 0.39 -0.20 0.00 -0.03 0.00 0.00 56.01 56.23 1ocr n LEU 197 Cb 0.16 0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.20 1ocr n LEU 197 CO 0.39 0.19 -1.00 -1.54 -1.33 0.00 0.00 177.39 174.10 1ocr n SER 198 N -2.92 2.05 -0.27 -1.43 3.41 -0.23 -4.38 113.62 109.85 1ocr n SER 198 Ca -0.11 0.09 0.07 0.00 -0.26 0.00 0.00 58.87 58.66 1ocr n SER 198 Cb 0.88 -0.68 0.31 0.00 -0.26 0.00 0.00 64.21 64.45 1ocr n SER 198 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ocr h LEU 199 N 0.05 0.78 -1.33 1.04 4.07 -1.62 -1.66 115.31 116.63 1ocr h LEU 199 Ca -0.48 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 57.44 1ocr h LEU 199 Cb 1.99 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 43.57 1ocr h LEU 199 CO 0.03 0.47 -0.15 -0.65 -1.08 0.00 0.00 178.44 177.06 1ocr h PRO 200 N 0.86 0.27 -0.51 1.13 0.11 -1.78 -0.92 132.00 131.15 1ocr h PRO 200 Ca 0.39 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.34 1ocr h PRO 200 Cb 0.38 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1ocr h PRO 200 CO -0.16 0.42 -0.08 0.28 -0.21 0.00 0.00 178.00 178.25 1ocr h VAL 201 N 0.25 1.27 0.23 3.15 2.07 -1.51 -1.41 116.25 120.30 1ocr h VAL 201 Ca 0.05 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1ocr h VAL 201 Cb 0.42 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1ocr h VAL 201 CO 0.03 0.43 -0.17 0.25 0.02 0.00 0.00 177.57 178.12 1ocr h LEU 202 N 0.82 -0.45 -1.06 2.57 5.85 -1.23 -0.57 115.31 121.25 1ocr h LEU 202 Ca 0.14 0.03 0.19 0.00 0.84 0.00 0.00 57.88 59.08 1ocr h LEU 202 Cb 0.63 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.71 1ocr h LEU 202 CO 0.04 -0.27 0.61 0.00 -0.34 0.00 0.00 178.44 178.49 1ocr h ALA 203 N 0.33 1.72 -0.09 1.25 0.00 -0.90 0.88 119.26 122.45 1ocr h ALA 203 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ocr h ALA 203 Cb 0.36 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ocr h ALA 203 CO -0.00 -0.08 0.02 0.00 0.00 0.00 0.00 179.25 179.18 1ocr h ALA 204 N 1.64 0.11 0.02 0.00 0.00 -0.78 -2.34 119.26 117.90 1ocr h ALA 204 Ca 0.57 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.36 1ocr h ALA 204 Cb 0.91 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1ocr h ALA 204 CO -0.35 -0.25 -0.15 0.78 0.00 0.00 0.00 179.25 179.28 1ocr h GLY 205 N -0.08 -0.20 2.00 0.00 0.00 0.70 -1.66 103.07 103.82 1ocr h GLY 205 Ca 0.03 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1ocr h GLY 205 CO 0.00 -0.15 0.00 0.29 0.00 0.00 0.00 176.54 176.69 1ocr n ILE 206 N -5.28 0.70 0.08 2.60 -5.35 -0.11 -1.62 119.36 110.38 1ocr n ILE 206 Ca -0.05 0.05 -0.15 0.00 -0.27 0.00 0.00 62.75 62.32 1ocr n ILE 206 Cb 0.20 -0.90 -0.07 0.00 -1.74 0.00 0.00 39.64 37.12 1ocr n ILE 206 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ocr h THR 207 N 0.00 1.40 -0.52 7.28 2.02 -0.79 -1.98 112.91 120.33 1ocr h THR 207 Ca 0.00 -2.55 -0.12 0.00 0.77 0.00 0.00 66.41 64.50 1ocr h THR 207 Cb 0.48 2.54 -0.02 0.00 -1.74 0.00 0.00 68.15 69.42 1ocr h THR 207 CO 0.00 0.76 -0.16 0.24 0.37 0.00 0.00 175.52 176.73 1ocr h MET 208 N 0.21 1.02 -0.83 6.66 2.86 -0.77 -1.07 114.93 123.02 1ocr h MET 208 Ca -0.10 -0.41 -0.02 0.00 -2.06 0.00 0.00 59.70 57.11 1ocr h MET 208 Cb 1.69 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 33.26 1ocr h MET 208 CO 0.18 1.09 0.45 1.25 1.06 0.00 0.00 176.91 180.94 1ocr h LEU 209 N 0.90 1.04 -0.51 1.22 5.85 -1.22 -1.44 115.31 121.14 1ocr h LEU 209 Ca 0.13 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1ocr h LEU 209 Cb 0.74 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1ocr h LEU 209 CO 0.06 0.84 0.04 0.25 -0.34 0.00 0.00 178.44 179.29 1ocr h LEU 210 N 1.16 0.84 -0.64 2.25 5.85 -0.90 -1.87 115.31 122.01 1ocr h LEU 210 Ca 0.29 -0.28 -0.13 0.00 0.84 0.00 0.00 57.88 58.60 1ocr h LEU 210 Cb 0.04 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1ocr h LEU 210 CO -0.05 0.92 -0.37 0.71 -0.34 0.00 0.00 178.44 179.31 1ocr h THR 211 N 0.74 1.29 -0.73 1.05 1.35 -1.01 -1.40 112.91 114.20 1ocr h THR 211 Ca 0.15 -1.53 -0.00 0.00 -0.55 0.00 0.00 66.41 64.48 1ocr h THR 211 Cb 0.46 1.48 -0.04 0.00 -1.73 0.00 0.00 68.15 68.32 1ocr h THR 211 CO 0.02 0.49 0.45 0.44 -0.25 0.00 0.00 175.52 176.67 1ocr h ASP 212 N 0.54 0.86 1.60 5.36 5.19 -0.96 0.81 116.42 129.82 1ocr h ASP 212 Ca 0.05 -0.04 -0.08 0.00 -0.62 0.00 0.00 57.03 56.34 1ocr h ASP 212 Cb 0.89 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 1ocr h ASP 212 CO 0.08 0.65 -0.36 0.03 -3.12 0.00 0.00 179.24 176.52 1ocr h ARG 213 N 1.00 0.00 0.00 3.56 3.08 -1.09 -3.38 114.38 117.56 1ocr h ARG 213 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1ocr h ARG 213 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1ocr h ARG 213 CO -0.05 0.36 -0.05 0.09 -1.07 0.00 0.00 179.97 179.25 1ocr n ASN 214 N -3.20 0.25 -0.05 7.04 3.02 -0.55 -4.75 115.26 117.02 1ocr n ASN 214 Ca 0.02 -0.20 0.03 0.00 -0.03 0.00 0.00 54.58 54.41 1ocr n ASN 214 Cb 0.67 0.45 0.05 0.00 -0.61 0.00 0.00 39.78 40.33 1ocr n ASN 214 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ocr n LEU 215 N -0.47 2.16 -3.00 3.41 4.32 0.28 -5.01 117.00 118.69 1ocr n LEU 215 Ca 0.00 -2.35 -0.22 0.00 -0.02 0.00 0.00 56.01 53.42 1ocr n LEU 215 Cb 0.00 -0.15 0.04 0.00 -1.62 0.00 0.00 43.42 41.69 1ocr n LEU 215 CO 0.00 0.57 0.01 0.59 -1.22 0.00 0.00 177.39 177.34 1ocr n ASN 216 N -0.76 -6.13 -4.92 -1.43 3.02 -1.08 -4.96 115.26 99.01 1ocr n ASN 216 Ca 0.06 -0.30 -0.23 0.00 -0.03 0.00 0.00 54.58 54.08 1ocr n ASN 216 Cb 0.38 -4.93 0.05 0.00 -0.61 0.00 0.00 39.78 34.68 1ocr n ASN 216 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ocr s THR 217 N -3.18 2.50 -0.34 3.41 -4.23 -1.21 -5.01 115.64 107.57 1ocr s THR 217 Ca 0.31 -0.54 0.16 0.00 -1.18 0.00 0.00 61.69 60.44 1ocr s THR 217 Cb -0.14 -2.96 0.43 0.00 1.34 0.00 0.00 72.50 71.17 1ocr s THR 217 CO 0.39 0.00 0.89 0.35 -0.54 0.00 0.00 174.62 175.71 1ocr n THR 218 N -2.57 0.63 -0.12 3.99 -2.24 -1.26 -4.42 114.28 108.29 1ocr n THR 218 Ca 0.09 -3.46 -0.05 0.00 -2.27 0.00 0.00 64.05 58.36 1ocr n THR 218 Cb 0.60 0.41 0.14 0.00 -2.10 0.00 0.00 70.33 69.38 1ocr n THR 218 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1ocr h PHE 219 N 2.98 0.89 -0.07 4.78 0.04 -1.96 -2.91 116.94 120.70 1ocr h PHE 219 Ca -0.04 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1ocr h PHE 219 Cb 1.12 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 39.03 1ocr h PHE 219 CO 0.48 0.82 0.00 1.19 -0.60 0.00 0.00 178.31 180.20 1ocr n PHE 220 N -4.20 0.08 -3.53 -0.55 3.72 -1.26 -1.23 117.46 110.48 1ocr n PHE 220 Ca 0.02 -0.13 -0.41 0.00 -0.05 0.00 0.00 57.45 56.89 1ocr n PHE 220 Cb 0.31 -0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 38.74 1ocr n PHE 220 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ocr s ASP 221 N -0.73 5.98 0.55 4.37 -1.08 -1.21 -2.71 116.67 121.84 1ocr s ASP 221 Ca 0.11 -0.63 0.25 0.00 -0.52 0.00 0.00 52.55 51.75 1ocr s ASP 221 Cb 0.07 -2.12 1.44 0.00 -1.46 0.00 0.00 42.92 40.85 1ocr s ASP 221 CO 0.10 -0.31 2.04 -0.65 0.52 0.00 0.00 175.17 176.87 1ocr h PRO 222 N 8.51 0.00 -0.91 4.34 0.11 -1.86 -0.23 132.00 141.95 1ocr h PRO 222 Ca -0.30 0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.99 1ocr h PRO 222 Cb 1.14 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 1ocr h PRO 222 CO 0.66 0.00 0.59 0.00 -0.21 0.00 0.00 178.00 179.04 1ocr h ALA 223 N 1.77 1.97 -0.41 -0.75 0.00 -1.93 0.29 119.26 120.20 1ocr h ALA 223 Ca 0.17 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ocr h ALA 223 Cb 0.72 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ocr h ALA 223 CO -0.00 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.40 1ocr n GLY 224 N -1.45 1.87 0.49 0.00 0.00 -0.52 -4.93 105.19 100.64 1ocr n GLY 224 Ca 0.19 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1ocr n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ocr n GLY 225 N 1.27 0.73 1.07 -0.02 0.00 0.10 -4.96 105.19 103.37 1ocr n GLY 225 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 1ocr n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ocr n GLY 226 N -2.08 -2.31 3.27 -0.02 0.00 -0.21 -4.88 105.19 98.96 1ocr n GLY 226 Ca 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 46.02 44.48 1ocr n GLY 226 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ocr s ASP 227 N -2.40 -0.61 0.61 1.61 -1.08 -0.37 -3.73 116.67 110.71 1ocr s ASP 227 Ca 0.21 0.97 0.33 0.00 -0.52 0.00 0.00 52.55 53.54 1ocr s ASP 227 Cb -0.02 1.71 1.90 0.00 -1.46 0.00 0.00 42.92 45.05 1ocr s ASP 227 CO 0.16 -0.25 2.22 -0.65 0.52 0.00 0.00 175.17 177.17 1ocr h PRO 228 N 8.10 0.00 -0.02 4.34 0.11 -1.78 0.48 132.00 143.22 1ocr h PRO 228 Ca -0.18 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.81 1ocr h PRO 228 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1ocr h PRO 228 CO 0.17 0.00 -0.55 0.82 -0.21 0.00 0.00 178.00 178.23 1ocr h ILE 229 N 0.00 1.39 -0.86 4.15 1.08 -1.92 -3.02 117.51 118.33 1ocr h ILE 229 Ca 0.03 -1.87 0.06 0.00 -0.39 0.00 0.00 64.86 62.68 1ocr h ILE 229 Cb 0.19 1.99 -0.06 0.00 -3.07 0.00 0.00 36.82 35.87 1ocr h ILE 229 CO -0.00 0.54 0.54 0.25 -0.69 0.00 0.00 178.15 178.79 1ocr h LEU 230 N 0.04 0.86 -0.48 1.44 5.85 -1.24 -1.22 115.31 120.56 1ocr h LEU 230 Ca -0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1ocr h LEU 230 Cb 0.98 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1ocr h LEU 230 CO 0.07 0.56 0.27 0.22 -0.34 0.00 0.00 178.44 179.23 1ocr h TYR 231 N 1.00 0.51 -1.00 1.25 3.20 -1.63 -2.14 116.97 118.16 1ocr h TYR 231 Ca 0.37 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.30 1ocr h TYR 231 Cb 0.14 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.18 1ocr h TYR 231 CO -0.03 0.29 0.65 1.96 -1.64 0.00 0.00 178.16 179.39 1ocr h GLN 232 N 0.55 1.21 -0.13 1.82 4.20 -1.26 0.41 115.11 121.90 1ocr h GLN 232 Ca 0.19 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1ocr h GLN 232 Cb 0.04 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 1ocr h GLN 232 CO -0.10 0.80 0.04 0.45 -0.67 0.00 0.00 178.83 179.35 1ocr h HIS 233 N 1.24 0.21 -0.40 2.96 3.86 -0.77 -0.63 115.15 121.63 1ocr h HIS 233 Ca 0.41 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.56 1ocr h HIS 233 Cb 0.05 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 1ocr h HIS 233 CO -0.00 0.34 0.10 -0.07 0.86 0.00 0.00 177.93 179.15 1ocr h LEU 234 N 0.02 0.60 0.05 2.43 3.38 -1.17 -0.90 115.31 119.72 1ocr h LEU 234 Ca 0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1ocr h LEU 234 Cb 0.23 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ocr h LEU 234 CO -0.00 0.68 -0.02 0.15 0.09 0.00 0.00 178.44 179.33 1ocr h PHE 235 N 0.50 -0.06 0.00 1.13 3.57 -0.78 -2.72 116.94 118.58 1ocr h PHE 235 Ca 0.12 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1ocr h PHE 235 Cb 0.31 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1ocr h PHE 235 CO 0.02 0.05 0.00 -1.49 -2.23 0.00 0.00 178.31 174.66 1ocr h TRP 236 N -0.16 0.00 0.00 0.41 4.06 -1.08 0.25 115.95 119.42 1ocr h TRP 236 Ca -0.01 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.88 1ocr h TRP 236 Cb 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 1ocr h TRP 236 CO -0.04 0.00 -0.30 0.35 -3.56 0.00 0.00 178.44 174.89 1ocr h PHE 237 N 0.00 0.00 0.07 0.49 3.57 -0.83 -2.08 116.94 118.16 1ocr h PHE 237 Ca 0.00 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.25 1ocr h PHE 237 Cb 0.55 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1ocr h PHE 237 CO 0.00 0.30 -1.31 0.35 -2.23 0.00 0.00 178.31 175.42 1ocr h PHE 238 N 0.00 0.28 -0.96 0.41 3.57 -1.36 -3.40 116.94 115.47 1ocr h PHE 238 Ca -0.00 -0.20 0.14 0.00 3.53 0.00 0.00 57.97 61.44 1ocr h PHE 238 Cb 0.55 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.20 1ocr h PHE 238 CO 0.00 1.51 0.61 0.78 -2.23 0.00 0.00 178.31 178.98 1ocr h GLY 239 N -0.22 1.50 0.42 2.40 0.00 -0.20 -1.19 103.07 105.79 1ocr h GLY 239 Ca -0.30 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 1ocr h GLY 239 CO -0.02 0.09 -0.03 0.84 0.00 0.00 0.00 176.54 177.41 1ocr h HIS 240 N 0.83 -0.09 -0.80 5.60 -0.00 -1.61 -3.03 115.15 116.05 1ocr h HIS 240 Ca 0.50 -0.00 0.19 0.00 -0.00 0.00 0.00 60.37 61.05 1ocr h HIS 240 Cb 0.67 0.03 -0.12 0.00 -0.00 0.00 0.00 27.41 27.98 1ocr h HIS 240 CO -0.00 0.43 0.20 -1.35 -0.00 0.00 0.00 177.93 177.20 1ocr h PRO 241 N -0.67 0.24 -0.98 5.26 0.11 -1.60 0.19 132.00 134.55 1ocr h PRO 241 Ca -0.01 -0.01 0.18 0.00 0.11 0.00 0.00 66.00 66.26 1ocr h PRO 241 Cb 0.55 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 31.52 1ocr h PRO 241 CO 0.02 0.16 0.61 1.49 -0.21 0.00 0.00 178.00 180.07 1ocr h GLU 242 N 0.25 0.71 0.00 1.05 4.57 -1.21 0.13 114.58 120.08 1ocr h GLU 242 Ca 0.47 -0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.50 1ocr h GLU 242 Cb 0.86 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 1ocr h GLU 242 CO -0.57 0.47 -0.53 -0.39 -1.18 0.00 0.00 179.01 176.81 1ocr h VAL 243 N 0.73 1.30 0.00 0.32 -1.51 -0.50 -1.46 116.25 115.12 1ocr h VAL 243 Ca 0.53 -1.87 -0.17 0.00 -1.23 0.00 0.00 66.70 63.97 1ocr h VAL 243 Cb 0.87 2.03 -0.02 0.00 -2.13 0.00 0.00 31.29 32.03 1ocr h VAL 243 CO -0.30 0.52 -0.79 1.88 -1.23 0.00 0.00 177.57 177.64 1ocr h TYR 244 N 0.00 0.00 0.00 5.19 0.05 -0.69 -2.88 116.97 118.64 1ocr h TYR 244 Ca -0.01 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 1ocr h TYR 244 Cb 0.99 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.72 1ocr h TYR 244 CO 0.00 0.79 -0.27 0.82 -1.05 0.00 0.00 178.16 178.45 1ocr h ILE 245 N 0.00 0.95 0.00 -2.88 2.04 -0.31 0.06 117.51 117.38 1ocr h ILE 245 Ca -0.01 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1ocr h ILE 245 Cb 1.51 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 1ocr h ILE 245 CO 0.10 0.26 -0.22 -0.07 0.00 0.00 0.00 178.15 178.23 1ocr h LEU 246 N 0.00 0.00 0.00 1.44 3.38 -1.07 -3.36 115.31 115.70 1ocr h LEU 246 Ca -0.00 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1ocr h LEU 246 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1ocr h LEU 246 CO 0.04 0.03 -1.50 0.00 0.09 0.00 0.00 178.44 177.10 1ocr n ILE 247 N -2.26 0.22 -0.05 1.22 0.13 -0.53 -4.66 119.36 113.42 1ocr n ILE 247 Ca 0.05 -0.27 -0.08 0.00 -1.10 0.00 0.00 62.75 61.34 1ocr n ILE 247 Cb 0.44 -0.09 -0.02 0.00 -0.84 0.00 0.00 39.64 39.12 1ocr n ILE 247 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 1ocr h LEU 248 N 0.00 -0.05 -1.92 9.51 3.38 -1.18 -0.25 115.31 124.79 1ocr h LEU 248 Ca -0.09 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.00 1ocr h LEU 248 Cb 0.83 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1ocr h LEU 248 CO 0.00 0.00 0.21 -0.65 0.09 0.00 0.00 178.44 178.10 1ocr h PRO 249 N 0.09 0.09 -0.12 1.13 0.11 -1.79 0.40 132.00 131.90 1ocr h PRO 249 Ca 0.10 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.06 1ocr h PRO 249 Cb 0.12 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1ocr h PRO 249 CO -0.16 0.06 -0.54 0.78 -0.21 0.00 0.00 178.00 177.93 1ocr h GLY 250 N 0.09 0.38 0.95 -0.55 0.00 -1.37 -1.57 103.07 100.99 1ocr h GLY 250 Ca 0.14 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1ocr h GLY 250 CO -0.01 0.39 0.17 0.74 0.00 0.00 0.00 176.54 177.83 1ocr h PHE 251 N 0.27 0.62 0.19 5.60 0.04 0.43 -1.06 116.94 123.03 1ocr h PHE 251 Ca 0.01 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.74 1ocr h PHE 251 Cb 1.04 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.98 1ocr h PHE 251 CO 0.03 0.54 -0.26 0.78 -0.60 0.00 0.00 178.31 178.80 1ocr h GLY 252 N 0.52 -0.54 0.80 -1.45 0.00 -0.74 -2.12 103.07 99.55 1ocr h GLY 252 Ca 0.14 0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.81 1ocr h GLY 252 CO -0.01 -0.23 0.31 -0.33 0.00 0.00 0.00 176.54 176.28 1ocr h MET 253 N -0.51 0.59 -0.40 4.80 2.86 -1.25 -1.57 114.93 119.44 1ocr h MET 253 Ca 0.01 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1ocr h MET 253 Cb 0.51 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1ocr h MET 253 CO -0.10 0.39 0.27 0.82 1.06 0.00 0.00 176.91 179.34 1ocr h ILE 254 N 0.61 1.07 -0.50 -1.22 1.08 -0.95 -1.23 117.51 116.37 1ocr h ILE 254 Ca 0.23 -0.17 -0.10 0.00 -0.39 0.00 0.00 64.86 64.43 1ocr h ILE 254 Cb 0.08 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 1ocr h ILE 254 CO -0.13 0.09 -0.10 0.28 -0.69 0.00 0.00 178.15 177.61 1ocr h SER 255 N 0.49 0.91 -0.32 1.72 0.02 -0.61 -1.09 113.55 114.67 1ocr h SER 255 Ca 0.15 -0.28 -0.15 0.00 -0.84 0.00 0.00 61.79 60.68 1ocr h SER 255 Cb 0.02 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 1ocr h SER 255 CO -0.04 1.02 -0.37 0.45 -1.14 0.00 0.00 176.83 176.76 1ocr h HIS 256 N 0.82 0.99 -0.22 3.45 3.86 -1.09 -2.37 115.15 120.60 1ocr h HIS 256 Ca 0.13 -0.31 -0.07 0.00 -1.16 0.00 0.00 60.37 58.97 1ocr h HIS 256 Cb 0.63 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 1ocr h HIS 256 CO 0.04 1.10 -0.13 0.82 0.86 0.00 0.00 177.93 180.62 1ocr h ILE 257 N 0.59 1.31 -0.69 2.45 2.04 -1.10 -1.10 117.51 121.01 1ocr h ILE 257 Ca 0.05 -1.23 -0.07 0.00 1.00 0.00 0.00 64.86 64.61 1ocr h ILE 257 Cb 0.96 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 1ocr h ILE 257 CO 0.09 0.38 0.16 0.58 0.00 0.00 0.00 178.15 179.35 1ocr h VAL 258 N 0.17 1.26 -0.19 1.67 2.07 -1.27 -1.70 116.25 118.26 1ocr h VAL 258 Ca 0.05 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1ocr h VAL 258 Cb 0.64 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1ocr h VAL 258 CO 0.04 0.38 0.05 0.74 0.02 0.00 0.00 177.57 178.79 1ocr h THR 259 N 1.05 1.20 0.61 2.57 2.02 -1.34 -2.97 112.91 116.05 1ocr h THR 259 Ca 0.22 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 1ocr h THR 259 Cb 0.38 1.26 0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1ocr h THR 259 CO 0.00 0.20 -0.29 0.22 0.37 0.00 0.00 175.52 176.02 1ocr h TYR 260 N 0.12 -0.76 0.00 3.16 3.20 -0.98 -2.49 116.97 119.22 1ocr h TYR 260 Ca 0.06 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1ocr h TYR 260 Cb 0.25 0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1ocr h TYR 260 CO 0.01 -0.46 0.00 0.66 -1.64 0.00 0.00 178.16 176.73 1ocr n TYR 261 N -5.43 0.00 0.80 -3.82 4.01 -0.66 -0.98 117.16 111.08 1ocr n TYR 261 Ca -0.13 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.69 1ocr n TYR 261 Cb 0.34 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.31 1ocr n TYR 261 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1ocr n SER 262 N -0.85 1.16 -1.38 7.72 7.64 -1.04 -1.12 113.62 125.75 1ocr n SER 262 Ca 0.11 -1.08 -0.09 0.00 1.01 0.00 0.00 58.87 58.82 1ocr n SER 262 Cb 0.05 0.80 0.01 0.00 -1.01 0.00 0.00 64.21 64.06 1ocr n SER 262 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ocr n GLY 263 N 1.33 0.19 3.92 0.23 0.00 -0.15 -0.34 105.19 110.37 1ocr n GLY 263 Ca 0.05 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 1ocr n GLY 263 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ocr s LYS 264 N -5.00 3.28 0.06 1.61 -0.14 -0.97 -4.84 119.74 113.74 1ocr s LYS 264 Ca 0.12 -0.81 0.06 0.00 -1.36 0.00 0.00 55.97 53.99 1ocr s LYS 264 Cb -0.05 -2.81 -0.23 0.00 -1.68 0.00 0.00 37.83 33.06 1ocr s LYS 264 CO 0.15 0.44 1.05 0.87 -0.76 0.00 0.00 175.35 177.10 1ocr h LYS 265 N 1.48 0.05 -3.59 1.68 1.79 -1.97 -3.42 116.57 112.59 1ocr h LYS 265 Ca -0.50 -0.09 -0.07 0.00 -2.18 0.00 0.00 60.65 57.81 1ocr h LYS 265 Cb 1.22 0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 31.77 1ocr h LYS 265 CO 0.62 0.89 -0.21 -1.83 -1.08 0.00 0.00 179.45 177.84 1ocr s GLU 266 N -2.66 0.97 0.57 3.15 -1.05 -1.26 -4.87 118.70 113.55 1ocr s GLU 266 Ca -0.02 -0.83 -0.17 0.00 -0.15 0.00 0.00 54.97 53.79 1ocr s GLU 266 Cb 0.09 0.41 -0.05 0.00 -0.44 0.00 0.00 34.13 34.14 1ocr s GLU 266 CO 0.83 -0.35 1.07 -1.25 0.95 0.00 0.00 175.26 176.50 1ocr s PRO 267 N -3.83 3.38 0.30 -4.83 0.04 -1.26 -4.99 135.00 123.81 1ocr s PRO 267 Ca 0.04 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.09 1ocr s PRO 267 Cb 0.03 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 1ocr s PRO 267 CO -0.11 -0.77 1.27 0.12 0.04 0.00 0.00 177.00 177.55 1ocr s PHE 268 N -2.27 3.18 -1.30 0.56 2.19 -1.26 -3.76 117.98 115.32 1ocr s PHE 268 Ca 0.66 1.42 -0.03 0.00 0.33 0.00 0.00 56.93 59.31 1ocr s PHE 268 Cb -0.17 -3.60 0.01 0.00 -1.31 0.00 0.00 43.02 37.95 1ocr s PHE 268 CO 0.33 -1.65 0.92 0.41 1.83 0.00 0.00 175.22 177.05 1ocr n GLY 269 N 1.17 -0.38 0.31 13.12 0.00 -1.26 -4.79 105.19 113.37 1ocr n GLY 269 Ca 0.01 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1ocr n GLY 269 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ocr h TYR 270 N -2.03 0.13 0.00 1.61 5.03 -1.98 0.39 116.97 120.12 1ocr h TYR 270 Ca -0.59 0.06 -0.14 0.00 2.58 0.00 0.00 58.73 60.64 1ocr h TYR 270 Cb 1.36 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.70 1ocr h TYR 270 CO 0.47 -0.31 -0.65 0.52 -1.32 0.00 0.00 178.16 176.87 1ocr h MET 271 N 0.10 0.00 -0.02 1.82 2.86 -1.94 -1.71 114.93 116.04 1ocr h MET 271 Ca 0.55 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 58.09 1ocr h MET 271 Cb 1.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 1ocr h MET 271 CO -0.76 0.65 -0.45 0.78 1.06 0.00 0.00 176.91 178.19 1ocr h GLY 272 N 2.51 0.04 1.27 8.32 0.00 -0.71 -0.36 103.07 114.14 1ocr h GLY 272 Ca -0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 47.33 47.09 1ocr h GLY 272 CO 0.08 0.03 -0.63 1.98 0.00 0.00 0.00 176.54 178.01 1ocr h MET 273 N 0.03 0.75 -0.04 4.80 -1.53 -0.47 0.55 114.93 119.02 1ocr h MET 273 Ca -0.00 -0.52 -0.02 0.00 -3.44 0.00 0.00 59.70 55.72 1ocr h MET 273 Cb 0.82 0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 31.94 1ocr h MET 273 CO 0.06 1.14 -0.05 0.28 0.14 0.00 0.00 176.91 178.49 1ocr h VAL 274 N 0.55 1.38 -0.53 -5.77 2.07 -1.10 -2.88 116.25 109.98 1ocr h VAL 274 Ca -0.01 -1.21 0.10 0.00 0.82 0.00 0.00 66.70 66.40 1ocr h VAL 274 Cb 1.23 2.10 -0.08 0.00 -1.52 0.00 0.00 31.29 33.01 1ocr h VAL 274 CO 0.13 0.33 0.02 -0.25 0.02 0.00 0.00 177.57 177.82 1ocr h TRP 275 N -0.35 0.01 -0.52 1.57 7.01 -0.97 -2.10 115.95 120.59 1ocr h TRP 275 Ca 0.01 0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.09 1ocr h TRP 275 Cb 0.55 0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.64 1ocr h TRP 275 CO 0.09 -0.10 0.26 0.00 -2.79 0.00 0.00 178.44 175.90 1ocr h ALA 276 N 1.46 0.67 -0.29 2.65 0.00 -0.85 -0.83 119.26 122.07 1ocr h ALA 276 Ca 0.27 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1ocr h ALA 276 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ocr h ALA 276 CO -0.42 -0.09 -0.24 0.52 0.00 0.00 0.00 179.25 179.02 1ocr h MET 277 N 0.50 0.55 -0.25 0.00 2.86 -1.21 -0.67 114.93 116.71 1ocr h MET 277 Ca 0.23 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1ocr h MET 277 Cb 0.15 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1ocr h MET 277 CO -0.17 0.75 -0.01 0.52 1.06 0.00 0.00 176.91 179.06 1ocr h MET 278 N 0.49 0.45 -0.12 1.72 2.07 -0.96 -0.35 114.93 118.23 1ocr h MET 278 Ca 0.07 -0.15 0.02 0.00 -2.07 0.00 0.00 59.70 57.57 1ocr h MET 278 Cb 0.67 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.35 1ocr h MET 278 CO 0.05 0.63 0.00 0.77 1.07 0.00 0.00 176.91 179.43 1ocr h SER 279 N 0.22 -0.04 -0.55 1.22 0.02 -0.98 0.12 113.55 113.58 1ocr h SER 279 Ca 0.07 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1ocr h SER 279 Cb 0.43 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 1ocr h SER 279 CO 0.01 -0.00 0.32 0.40 -1.14 0.00 0.00 176.83 176.42 1ocr h ILE 280 N 0.05 1.03 -0.62 3.27 2.04 -1.04 0.35 117.51 122.59 1ocr h ILE 280 Ca 0.06 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.72 1ocr h ILE 280 Cb 0.06 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1ocr h ILE 280 CO -0.09 0.11 0.40 1.23 0.00 0.00 0.00 178.15 179.80 1ocr h GLY 281 N 0.62 0.88 0.67 5.37 0.00 -0.46 0.69 103.07 110.83 1ocr h GLY 281 Ca 0.23 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1ocr h GLY 281 CO -0.12 0.29 -0.29 -2.75 0.00 0.00 0.00 176.54 173.68 1ocr h PHE 282 N 0.81 -0.74 -0.14 5.60 3.57 -0.21 -2.97 116.94 122.85 1ocr h PHE 282 Ca 0.24 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.76 1ocr h PHE 282 Cb -0.05 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1ocr h PHE 282 CO -0.04 -0.42 0.15 -0.07 -2.23 0.00 0.00 178.31 175.70 1ocr h LEU 283 N -1.14 0.00 0.00 0.59 3.38 -0.91 -1.55 115.31 115.69 1ocr h LEU 283 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ocr h LEU 283 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1ocr h LEU 283 CO 0.13 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.27 1ocr n GLY 284 N -1.41 -0.44 0.42 0.83 0.00 0.23 -1.89 105.19 102.92 1ocr n GLY 284 Ca 0.01 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.05 1ocr n GLY 284 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ocr n PHE 285 N -1.14 0.00 -1.85 1.61 3.72 -0.58 -3.66 117.46 115.56 1ocr n PHE 285 Ca 0.06 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.48 1ocr n PHE 285 Cb 0.05 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 38.74 1ocr n PHE 285 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1ocr n ILE 286 N 0.11 1.84 -0.68 4.37 -5.35 -0.79 -4.73 119.36 114.12 1ocr n ILE 286 Ca 0.07 -2.97 0.00 0.00 -0.27 0.00 0.00 62.75 59.58 1ocr n ILE 286 Cb 0.35 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.16 1ocr n ILE 286 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1ocr n VAL 287 N -0.77 0.14 -0.34 7.28 0.24 -1.25 -4.87 118.33 118.75 1ocr n VAL 287 Ca 0.19 -0.23 0.24 0.00 -2.04 0.00 0.00 64.34 62.50 1ocr n VAL 287 Cb 0.81 1.32 0.47 0.00 -1.47 0.00 0.00 33.84 34.97 1ocr n VAL 287 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 1ocr h TRP 288 N 0.00 0.94 0.00 6.34 0.09 -1.85 -2.04 115.95 119.43 1ocr h TRP 288 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 58.89 59.02 1ocr h TRP 288 Cb 0.56 -0.25 0.00 0.00 0.08 0.00 0.00 29.16 29.55 1ocr h TRP 288 CO 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.37 1ocr n ALA 289 N -2.29 1.73 1.06 0.11 0.00 -1.26 -2.13 120.51 117.73 1ocr n ALA 289 Ca 0.32 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.80 1ocr n ALA 289 Cb 0.97 -1.12 0.52 0.00 0.00 0.00 0.00 19.45 19.82 1ocr n ALA 289 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1ocr n HIS 290 N -1.06 0.00 -0.37 0.00 1.44 -0.77 -1.03 115.22 113.43 1ocr n HIS 290 Ca 0.05 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.88 1ocr n HIS 290 Cb 0.03 -0.09 0.32 0.00 0.12 0.00 0.00 29.99 30.37 1ocr n HIS 290 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1ocr n HIS 291 N -1.09 0.98 -2.63 -1.40 8.25 -0.91 -4.37 115.22 114.05 1ocr n HIS 291 Ca 0.12 -0.50 0.02 0.00 -0.26 0.00 0.00 57.72 57.10 1ocr n HIS 291 Cb 0.09 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.23 1ocr n HIS 291 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1ocr n MET 292 N 1.62 0.76 0.07 -0.41 2.00 -0.20 -4.89 117.12 116.07 1ocr n MET 292 Ca 0.24 -2.59 0.10 0.00 0.00 0.00 0.00 57.70 55.46 1ocr n MET 292 Cb 0.62 -0.66 0.43 0.00 0.00 0.00 0.00 33.22 33.62 1ocr n MET 292 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1ocr n PHE 293 N -0.02 0.45 -0.59 2.03 3.72 -1.24 -2.71 117.46 119.11 1ocr n PHE 293 Ca 0.05 0.17 0.07 0.00 -0.05 0.00 0.00 57.45 57.69 1ocr n PHE 293 Cb 0.99 -0.77 0.19 0.00 -0.94 0.00 0.00 39.48 38.95 1ocr n PHE 293 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1ocr n THR 294 N -1.90 1.64 0.40 4.37 -2.24 -1.26 -4.56 114.28 110.73 1ocr n THR 294 Ca 0.03 -1.47 0.12 0.00 -2.27 0.00 0.00 64.05 60.46 1ocr n THR 294 Cb 0.24 0.12 0.12 0.00 -2.10 0.00 0.00 70.33 68.71 1ocr n THR 294 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1ocr h VAL 295 N 1.68 0.00 0.00 2.28 2.07 -1.90 -3.48 116.25 116.90 1ocr h VAL 295 Ca 0.00 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1ocr h VAL 295 Cb 1.06 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1ocr h VAL 295 CO 0.10 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.30 1ocr n GLY 296 N 1.27 1.32 3.92 2.17 0.00 -1.26 -5.11 105.19 107.50 1ocr n GLY 296 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1ocr n GLY 296 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ocr s MET 297 N -0.28 3.52 0.55 1.61 1.00 -1.26 -5.02 119.30 119.42 1ocr s MET 297 Ca 0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 55.69 55.45 1ocr s MET 297 Cb 0.00 -2.51 -0.08 0.00 0.00 0.00 0.00 34.83 32.24 1ocr s MET 297 CO 0.00 -0.03 0.79 -0.25 0.00 0.00 0.00 175.02 175.52 1ocr n ASP 298 N -2.00 0.10 -0.25 3.03 8.00 -1.26 -4.81 116.55 119.35 1ocr n ASP 298 Ca -0.02 0.83 -0.06 0.00 0.71 0.00 0.00 54.79 56.25 1ocr n ASP 298 Cb 0.56 -1.29 0.08 0.00 -0.02 0.00 0.00 41.12 40.44 1ocr n ASP 298 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1ocr h VAL 299 N 0.60 1.26 -0.88 2.53 3.04 -1.99 -2.41 116.25 118.40 1ocr h VAL 299 Ca -0.46 -0.91 -0.00 0.00 -1.01 0.00 0.00 66.70 64.32 1ocr h VAL 299 Cb 1.37 0.47 -0.04 0.00 -2.01 0.00 0.00 31.29 31.08 1ocr h VAL 299 CO 0.51 0.35 0.54 0.44 -1.01 0.00 0.00 177.57 178.40 1ocr h ASP 300 N 1.08 1.05 0.69 3.17 3.32 -2.00 -0.84 116.42 122.89 1ocr h ASP 300 Ca 0.23 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 1ocr h ASP 300 Cb 0.31 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1ocr h ASP 300 CO -0.01 0.80 -0.45 0.71 -1.72 0.00 0.00 179.24 178.57 1ocr h THR 301 N 1.21 1.12 -0.01 0.35 1.35 -1.86 -1.41 112.91 113.66 1ocr h THR 301 Ca 0.32 -1.67 -0.12 0.00 -0.55 0.00 0.00 66.41 64.38 1ocr h THR 301 Cb -0.06 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.30 1ocr h THR 301 CO -0.06 0.45 -0.56 0.03 -0.25 0.00 0.00 175.52 175.13 1ocr h ARG 302 N 0.00 0.04 -0.17 4.72 3.08 -0.83 -1.64 114.38 119.58 1ocr h ARG 302 Ca -0.00 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.85 1ocr h ARG 302 Cb 0.92 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 1ocr h ARG 302 CO 0.06 0.59 -0.61 0.00 -1.07 0.00 0.00 179.97 178.93 1ocr h ALA 303 N 1.41 0.61 0.47 0.04 0.00 -0.50 -2.45 119.26 118.85 1ocr h ALA 303 Ca -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1ocr h ALA 303 Cb 1.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ocr h ALA 303 CO 0.07 0.70 -0.23 -0.92 0.00 0.00 0.00 179.25 178.88 1ocr h TYR 304 N 0.43 -0.59 -0.15 0.00 3.20 -1.05 -2.07 116.97 116.74 1ocr h TYR 304 Ca -0.01 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.89 1ocr h TYR 304 Cb 1.18 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.64 1ocr h TYR 304 CO 0.05 -0.30 0.13 0.74 -1.64 0.00 0.00 178.16 177.14 1ocr h PHE 305 N -0.77 0.00 0.22 -3.82 0.04 -1.26 0.11 116.94 111.45 1ocr h PHE 305 Ca -0.07 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.38 1ocr h PHE 305 Cb 0.55 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.73 1ocr h PHE 305 CO -0.01 0.00 -1.41 1.79 -0.60 0.00 0.00 178.31 178.07 1ocr h THR 306 N 0.00 1.33 0.05 -1.55 1.35 -1.37 -2.50 112.91 110.22 1ocr h THR 306 Ca 0.07 -2.77 -0.00 0.00 -0.55 0.00 0.00 66.41 63.16 1ocr h THR 306 Cb 0.33 3.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 1ocr h THR 306 CO -0.00 0.83 -0.02 0.28 -0.25 0.00 0.00 175.52 176.35 1ocr h SER 307 N 0.14 -0.05 -0.45 5.36 0.02 -0.48 -2.55 113.55 115.54 1ocr h SER 307 Ca -0.23 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1ocr h SER 307 Cb 2.11 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 64.64 1ocr h SER 307 CO 0.26 -0.03 0.26 0.00 -1.14 0.00 0.00 176.83 176.18 1ocr h ALA 308 N 0.88 0.57 -0.61 3.77 0.00 -0.94 -2.66 119.26 120.26 1ocr h ALA 308 Ca -0.01 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ocr h ALA 308 Cb 0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1ocr h ALA 308 CO 0.01 0.07 0.41 1.15 0.00 0.00 0.00 179.25 180.89 1ocr h THR 309 N 0.59 0.97 0.00 0.00 2.02 -1.30 -2.60 112.91 112.59 1ocr h THR 309 Ca 0.16 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 67.05 1ocr h THR 309 Cb 0.02 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1ocr h THR 309 CO -0.03 0.10 -0.50 0.24 0.37 0.00 0.00 175.52 175.70 1ocr h MET 310 N 0.55 0.00 0.00 6.66 2.86 -1.09 -3.01 114.93 120.90 1ocr h MET 310 Ca 0.27 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1ocr h MET 310 Cb 0.35 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 1ocr h MET 310 CO -0.08 0.50 -0.02 -0.84 1.06 0.00 0.00 176.91 177.53 1ocr h ILE 311 N 0.00 0.07 -0.01 -1.22 3.07 -1.46 -1.79 117.51 116.17 1ocr h ILE 311 Ca -0.00 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 66.07 1ocr h ILE 311 Cb 0.92 1.31 -0.00 0.00 -0.27 0.00 0.00 36.82 38.78 1ocr h ILE 311 CO 0.06 0.02 0.02 0.40 -1.05 0.00 0.00 178.15 177.60 1ocr h ILE 312 N 0.00 0.20 0.00 0.16 2.04 -1.65 -0.62 117.51 117.64 1ocr h ILE 312 Ca -0.00 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 1ocr h ILE 312 Cb 0.31 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1ocr h ILE 312 CO 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 178.15 177.82 1ocr h ALA 313 N 1.97 1.13 0.60 1.87 0.00 -1.53 -2.95 119.26 120.35 1ocr h ALA 313 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1ocr h ALA 313 Cb 0.04 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ocr h ALA 313 CO -0.00 0.42 -0.29 0.82 0.00 0.00 0.00 179.25 180.20 1ocr h ILE 314 N 0.00 0.00 -0.28 0.00 2.04 -1.30 0.25 117.51 118.22 1ocr h ILE 314 Ca -0.00 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1ocr h ILE 314 Cb 0.75 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1ocr h ILE 314 CO 0.04 0.00 0.19 1.55 0.00 0.00 0.00 178.15 179.93 1ocr h PRO 315 N -0.89 0.15 -0.09 2.37 0.13 -1.70 0.11 132.00 132.09 1ocr h PRO 315 Ca -0.08 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.93 1ocr h PRO 315 Cb 0.62 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1ocr h PRO 315 CO 0.14 0.10 -0.43 1.15 -0.23 0.00 0.00 178.00 178.73 1ocr h THR 316 N 0.16 1.32 -0.41 1.56 2.02 -1.33 -2.63 112.91 113.60 1ocr h THR 316 Ca 0.12 -1.56 -0.04 0.00 0.77 0.00 0.00 66.41 65.70 1ocr h THR 316 Cb 0.29 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 1ocr h THR 316 CO -0.02 0.46 0.09 1.23 0.37 0.00 0.00 175.52 177.66 1ocr h GLY 317 N 1.26 0.71 1.82 2.16 0.00 0.22 -2.09 103.07 107.15 1ocr h GLY 317 Ca 0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1ocr h GLY 317 CO 0.06 0.42 0.07 -0.39 0.00 0.00 0.00 176.54 176.70 1ocr h VAL 318 N 0.53 1.07 -0.02 4.60 -1.51 -1.04 -1.05 116.25 118.82 1ocr h VAL 318 Ca 0.13 -0.23 -0.01 0.00 -1.23 0.00 0.00 66.70 65.37 1ocr h VAL 318 Cb 0.32 0.87 -0.00 0.00 -2.13 0.00 0.00 31.29 30.35 1ocr h VAL 318 CO 0.00 0.09 -0.01 0.11 -1.23 0.00 0.00 177.57 176.53 1ocr h LYS 319 N 0.24 0.04 -0.75 5.19 1.57 -1.32 0.68 116.57 122.23 1ocr h LYS 319 Ca 0.06 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1ocr h LYS 319 Cb 0.05 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1ocr h LYS 319 CO -0.01 0.42 0.45 0.28 -0.57 0.00 0.00 179.45 180.02 1ocr h VAL 320 N -0.34 1.03 -0.08 0.50 2.07 -0.73 -0.76 116.25 117.94 1ocr h VAL 320 Ca 0.01 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.11 1ocr h VAL 320 Cb 0.41 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1ocr h VAL 320 CO 0.00 0.15 -0.52 -0.26 0.02 0.00 0.00 177.57 176.96 1ocr h PHE 321 N 0.84 0.26 -0.41 1.57 0.04 -1.17 -2.67 116.94 115.40 1ocr h PHE 321 Ca 0.32 -0.09 -0.12 0.00 2.80 0.00 0.00 57.97 60.89 1ocr h PHE 321 Cb 0.14 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1ocr h PHE 321 CO -0.05 0.69 -0.23 0.77 -0.60 0.00 0.00 178.31 178.89 1ocr h SER 322 N 0.17 0.84 -0.78 2.17 0.02 0.18 0.12 113.55 116.27 1ocr h SER 322 Ca 0.00 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.61 1ocr h SER 322 Cb 0.98 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 1ocr h SER 322 CO 0.08 1.04 0.37 -0.50 -1.14 0.00 0.00 176.83 176.68 1ocr h TRP 323 N 0.72 1.12 -0.50 3.45 6.55 -0.97 -0.23 115.95 126.10 1ocr h TRP 323 Ca 0.10 -0.06 -0.07 0.00 0.95 0.00 0.00 58.89 59.81 1ocr h TRP 323 Cb 0.76 -0.35 -0.02 0.00 -0.86 0.00 0.00 29.16 28.69 1ocr h TRP 323 CO 0.04 0.82 0.03 -0.07 -1.05 0.00 0.00 178.44 178.21 1ocr h LEU 324 N 1.10 0.85 -1.74 -4.49 4.07 -1.15 -2.60 115.31 111.35 1ocr h LEU 324 Ca 0.27 -0.29 -0.03 0.00 0.08 0.00 0.00 57.88 57.90 1ocr h LEU 324 Cb 0.12 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.63 1ocr h LEU 324 CO -0.03 0.93 -0.16 0.00 -1.08 0.00 0.00 178.44 178.10 1ocr h ALA 325 N 0.95 1.59 -0.38 1.53 0.00 -0.51 -1.95 119.26 120.49 1ocr h ALA 325 Ca 0.15 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1ocr h ALA 325 Cb 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ocr h ALA 325 CO 0.02 0.20 -0.24 1.15 0.00 0.00 0.00 179.25 180.38 1ocr h THR 326 N 0.00 1.28 -0.19 0.00 2.02 -0.69 -2.89 112.91 112.43 1ocr h THR 326 Ca -0.00 -1.39 -0.04 0.00 0.77 0.00 0.00 66.41 65.74 1ocr h THR 326 Cb 0.31 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1ocr h THR 326 CO 0.02 0.46 -0.08 -0.07 0.37 0.00 0.00 175.52 176.22 1ocr h LEU 327 N 0.64 0.28 -9.04 2.58 3.38 -1.02 -3.41 115.31 108.72 1ocr h LEU 327 Ca 0.08 -0.05 -0.72 0.00 0.09 0.00 0.00 57.88 57.28 1ocr h LEU 327 Cb 0.81 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.49 1ocr h LEU 327 CO 0.07 0.40 1.02 1.57 0.09 0.00 0.00 178.44 181.58 1ocr n HIS 328 N -4.30 2.00 -0.97 1.13 -0.00 -0.91 -0.61 115.22 111.57 1ocr n HIS 328 Ca -0.00 0.44 0.00 0.00 0.46 0.00 0.00 57.72 58.62 1ocr n HIS 328 Cb 0.25 -2.49 0.00 0.00 -0.12 0.00 0.00 29.99 27.63 1ocr n HIS 328 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ocr n GLY 329 N 4.67 0.44 3.83 1.57 0.00 -1.26 -5.00 105.19 109.44 1ocr n GLY 329 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 1ocr n GLY 329 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ocr s GLY 330 N -2.00 1.64 -0.64 -0.02 0.00 0.22 -4.97 107.32 101.55 1ocr s GLY 330 Ca 0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 44.72 44.48 1ocr s GLY 330 CO 0.00 0.26 0.58 0.21 0.00 0.00 0.00 173.10 174.16 1ocr s ASN 331 N -3.94 6.35 -0.06 1.64 2.47 0.54 -5.01 114.94 116.92 1ocr s ASN 331 Ca 0.59 -2.14 -0.29 0.00 0.42 0.00 0.00 52.86 51.44 1ocr s ASN 331 Cb -0.14 -2.19 -0.02 0.00 -1.45 0.00 0.00 41.25 37.45 1ocr s ASN 331 CO 0.54 -0.74 0.98 -0.63 -3.72 0.00 0.00 177.10 173.54 1ocr s ILE 332 N 1.05 4.83 -0.29 -5.21 1.09 -1.26 -3.88 121.20 117.52 1ocr s ILE 332 Ca 0.09 2.02 -0.09 0.00 -1.10 0.00 0.00 60.65 61.57 1ocr s ILE 332 Cb -0.23 -4.30 -0.02 0.00 -1.06 0.00 0.00 42.46 36.85 1ocr s ILE 332 CO -0.02 0.08 0.13 -0.54 -0.10 0.00 0.00 174.94 174.49 1ocr s LYS 333 N 1.58 3.51 -1.48 2.79 -0.14 -0.27 -5.00 119.74 120.72 1ocr s LYS 333 Ca 0.49 -0.60 -0.13 0.00 -1.36 0.00 0.00 55.97 54.38 1ocr s LYS 333 Cb -0.19 -3.51 0.02 0.00 -1.68 0.00 0.00 37.83 32.47 1ocr s LYS 333 CO 0.22 -0.32 2.37 0.91 -0.76 0.00 0.00 175.35 177.77 1ocr n TRP 334 N 4.98 3.24 -2.42 3.18 7.02 -1.26 -4.76 117.44 127.41 1ocr n TRP 334 Ca -0.14 -2.99 -0.26 0.00 -1.02 0.00 0.00 57.50 53.08 1ocr n TRP 334 Cb 0.50 -2.50 0.03 0.00 -2.42 0.00 0.00 31.31 26.93 1ocr n TRP 334 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1ocr s SER 335 N 2.79 5.52 0.14 -0.99 1.04 -1.26 -4.92 113.70 116.02 1ocr s SER 335 Ca 0.52 0.63 -0.21 0.00 0.48 0.00 0.00 55.95 57.37 1ocr s SER 335 Cb 0.15 -1.61 -0.00 0.00 0.10 0.00 0.00 66.02 64.66 1ocr s SER 335 CO -0.08 -1.09 1.68 -0.65 0.98 0.00 0.00 173.24 174.07 1ocr h PRO 336 N -0.17 -0.11 -0.92 4.02 0.11 -1.91 -0.66 132.00 132.36 1ocr h PRO 336 Ca -0.45 0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.78 1ocr h PRO 336 Cb 1.26 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.33 1ocr h PRO 336 CO 0.60 -0.07 0.59 0.00 -0.21 0.00 0.00 178.00 178.91 1ocr h ALA 337 N 1.04 1.66 -0.08 -0.75 0.00 -1.91 0.28 119.26 119.50 1ocr h ALA 337 Ca 0.11 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1ocr h ALA 337 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ocr h ALA 337 CO -0.27 0.12 -0.45 1.98 0.00 0.00 0.00 179.25 180.63 1ocr h MET 338 N 0.86 0.20 -0.42 0.00 -1.53 -1.46 -1.87 114.93 110.70 1ocr h MET 338 Ca 0.44 -0.10 -0.08 0.00 -3.44 0.00 0.00 59.70 56.53 1ocr h MET 338 Cb 0.52 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.55 1ocr h MET 338 CO -0.21 0.61 -0.04 0.52 0.14 0.00 0.00 176.91 177.93 1ocr h MET 339 N 0.16 0.78 -0.71 0.39 2.86 0.50 -1.51 114.93 117.39 1ocr h MET 339 Ca 0.01 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 1ocr h MET 339 Cb 0.87 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 1ocr h MET 339 CO 0.07 0.87 0.38 -1.49 1.06 0.00 0.00 176.91 177.80 1ocr h TRP 340 N 0.61 0.97 -0.24 -0.22 4.06 -0.91 -2.03 115.95 118.19 1ocr h TRP 340 Ca 0.11 -0.02 -0.17 0.00 2.06 0.00 0.00 58.89 60.87 1ocr h TRP 340 Cb 0.55 -0.31 -0.00 0.00 -1.00 0.00 0.00 29.16 28.40 1ocr h TRP 340 CO 0.04 0.68 -0.54 0.00 -3.56 0.00 0.00 178.44 175.07 1ocr h ALA 341 N 1.42 0.59 -0.52 1.49 0.00 -1.09 -1.27 119.26 119.88 1ocr h ALA 341 Ca 0.25 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1ocr h ALA 341 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ocr h ALA 341 CO -0.04 0.68 -0.10 -0.07 0.00 0.00 0.00 179.25 179.72 1ocr h LEU 342 N 0.55 0.99 -0.23 0.00 3.38 -0.98 -1.84 115.31 117.18 1ocr h LEU 342 Ca 0.01 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.64 1ocr h LEU 342 Cb 1.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1ocr h LEU 342 CO 0.11 1.11 0.14 1.23 0.09 0.00 0.00 178.44 181.12 1ocr h GLY 343 N 0.85 0.31 0.28 0.83 0.00 -1.25 -2.60 103.07 101.49 1ocr h GLY 343 Ca 0.13 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.39 1ocr h GLY 343 CO 0.05 0.10 -0.34 -2.75 0.00 0.00 0.00 176.54 173.60 1ocr h PHE 344 N 0.29 -0.93 -0.97 5.60 3.04 -1.06 -0.21 116.94 122.70 1ocr h PHE 344 Ca 0.09 0.03 0.20 0.00 3.98 0.00 0.00 57.97 62.26 1ocr h PHE 344 Cb -0.01 0.41 -0.11 0.00 2.56 0.00 0.00 35.95 38.79 1ocr h PHE 344 CO -0.07 -0.43 0.55 0.82 -2.02 0.00 0.00 178.31 177.16 1ocr h ILE 345 N -0.49 0.65 0.04 1.41 2.04 -1.04 0.12 117.51 120.24 1ocr h ILE 345 Ca 0.06 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1ocr h ILE 345 Cb 0.58 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1ocr h ILE 345 CO -0.27 0.12 -0.02 0.15 0.00 0.00 0.00 178.15 178.13 1ocr h PHE 346 N 0.66 -0.05 -0.80 1.37 3.57 -1.04 -3.12 116.94 117.54 1ocr h PHE 346 Ca 0.57 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.16 1ocr h PHE 346 Cb 0.94 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.63 1ocr h PHE 346 CO -0.03 0.40 0.45 -0.07 -2.23 0.00 0.00 178.31 176.82 1ocr h LEU 347 N -0.98 0.65 -0.93 0.59 4.07 -0.80 0.63 115.31 118.55 1ocr h LEU 347 Ca -0.01 0.04 -0.04 0.00 0.08 0.00 0.00 57.88 57.96 1ocr h LEU 347 Cb 0.47 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.10 1ocr h LEU 347 CO 0.01 0.38 0.32 0.15 -1.08 0.00 0.00 178.44 178.22 1ocr h PHE 348 N 0.77 1.10 -0.84 1.13 3.57 -0.92 -1.12 116.94 120.64 1ocr h PHE 348 Ca 0.38 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 1ocr h PHE 348 Cb 0.32 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 1ocr h PHE 348 CO -0.07 0.82 0.39 1.15 -2.23 0.00 0.00 178.31 178.38 1ocr h THR 349 N 1.08 1.26 0.14 4.41 2.02 -0.84 0.56 112.91 121.54 1ocr h THR 349 Ca 0.25 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 1ocr h THR 349 Cb 0.17 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1ocr h THR 349 CO -0.03 0.32 -0.07 0.58 0.37 0.00 0.00 175.52 176.70 1ocr h VAL 350 N 1.20 0.96 -0.03 3.16 2.07 -0.89 -1.53 116.25 121.19 1ocr h VAL 350 Ca 0.29 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1ocr h VAL 350 Cb 0.14 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1ocr h VAL 350 CO -0.03 0.11 -0.07 1.23 0.02 0.00 0.00 177.57 178.82 1ocr h GLY 351 N -0.40 0.05 1.89 2.17 0.00 -1.06 -2.10 103.07 103.62 1ocr h GLY 351 Ca -0.02 -0.02 -0.22 0.00 0.00 0.00 0.00 47.33 47.07 1ocr h GLY 351 CO 0.03 0.02 -1.02 -1.33 0.00 0.00 0.00 176.54 174.25 1ocr h GLY 352 N 0.32 0.10 0.98 4.60 0.00 -0.65 -2.88 103.07 105.54 1ocr h GLY 352 Ca 0.01 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 1ocr h GLY 352 CO 0.01 0.20 -0.26 1.41 0.00 0.00 0.00 176.54 177.91 1ocr h LEU 353 N 0.03 0.77 -2.05 3.11 4.07 -0.84 -2.28 115.31 118.12 1ocr h LEU 353 Ca -0.04 -0.45 0.01 0.00 0.08 0.00 0.00 57.88 57.47 1ocr h LEU 353 Cb 1.74 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 43.26 1ocr h LEU 353 CO 0.14 1.06 0.02 0.74 -1.08 0.00 0.00 178.44 179.32 1ocr h THR 354 N 0.49 0.94 0.00 0.22 2.02 -1.44 0.31 112.91 115.45 1ocr h THR 354 Ca 0.06 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1ocr h THR 354 Cb 0.82 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1ocr h THR 354 CO 0.07 0.00 -0.08 1.23 0.37 0.00 0.00 175.52 177.11 1ocr h GLY 355 N 0.00 0.00 1.82 2.16 0.00 -1.18 -2.71 103.07 103.15 1ocr h GLY 355 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.16 1ocr h GLY 355 CO -0.00 0.00 -0.80 -2.22 0.00 0.00 0.00 176.54 173.51 1ocr h ILE 356 N 0.00 1.49 0.05 2.60 1.08 -0.16 -2.50 117.51 120.06 1ocr h ILE 356 Ca -0.00 -2.50 -0.00 0.00 -0.39 0.00 0.00 64.86 61.97 1ocr h ILE 356 Cb 0.89 2.37 0.00 0.00 -3.07 0.00 0.00 36.82 37.01 1ocr h ILE 356 CO 0.01 0.73 -0.02 0.58 -0.69 0.00 0.00 178.15 178.76 1ocr h VAL 357 N 0.10 1.05 0.00 1.67 2.07 -1.15 -2.45 116.25 117.53 1ocr h VAL 357 Ca -0.03 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1ocr h VAL 357 Cb 1.40 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1ocr h VAL 357 CO 0.12 0.08 0.00 0.18 0.02 0.00 0.00 177.57 177.97 1ocr n LEU 358 N -5.05 0.31 0.23 2.57 4.77 -1.06 -2.26 117.00 116.51 1ocr n LEU 358 Ca -0.08 0.60 0.12 0.00 -0.03 0.00 0.00 56.01 56.62 1ocr n LEU 358 Cb 0.11 -0.58 0.47 0.00 -2.33 0.00 0.00 43.42 41.08 1ocr n LEU 358 CO 0.33 -0.53 0.84 0.00 -1.33 0.00 0.00 177.39 176.71 1ocr h ALA 359 N 2.24 0.99 -1.84 -1.18 0.00 -0.97 -3.42 119.26 115.07 1ocr h ALA 359 Ca 0.00 -0.14 -0.57 0.00 0.00 0.00 0.00 54.91 54.20 1ocr h ALA 359 Cb 0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1ocr h ALA 359 CO 0.00 0.19 1.07 -0.80 0.00 0.00 0.00 179.25 179.71 1ocr s ASN 360 N -6.06 6.37 0.33 0.00 0.01 -0.96 -4.44 114.94 110.18 1ocr s ASN 360 Ca 0.02 0.99 0.00 0.00 -0.71 0.00 0.00 52.86 53.16 1ocr s ASN 360 Cb 0.09 -2.54 0.55 0.00 0.41 0.00 0.00 41.25 39.77 1ocr s ASN 360 CO 0.62 -1.37 1.99 0.77 -1.51 0.00 0.00 177.10 177.60 1ocr h SER 361 N 10.59 0.83 0.39 -1.22 4.64 -1.88 0.63 113.55 127.52 1ocr h SER 361 Ca -0.28 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 1ocr h SER 361 Cb 1.11 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1ocr h SER 361 CO 1.07 0.60 -0.21 0.77 -0.87 0.00 0.00 176.83 178.18 1ocr h SER 362 N 0.97 -0.52 0.48 4.97 4.64 -1.96 -2.50 113.55 119.64 1ocr h SER 362 Ca 0.27 0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.52 1ocr h SER 362 Cb -0.10 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1ocr h SER 362 CO -0.06 -0.35 -0.46 0.25 -0.87 0.00 0.00 176.83 175.34 1ocr h LEU 363 N -0.56 0.00 -1.44 5.97 5.85 -1.82 -2.76 115.31 120.56 1ocr h LEU 363 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1ocr h LEU 363 Cb 0.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1ocr h LEU 363 CO 0.06 0.46 0.00 -0.78 -0.34 0.00 0.00 178.44 177.85 1ocr h ASP 364 N 0.00 0.00 -0.14 1.25 3.58 0.70 -2.67 116.42 119.13 1ocr h ASP 364 Ca -0.00 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.48 1ocr h ASP 364 Cb 0.83 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.84 1ocr h ASP 364 CO 0.06 0.00 -0.08 0.40 -2.88 0.00 0.00 179.24 176.74 1ocr h ILE 365 N 0.00 0.76 0.00 2.25 1.08 -1.18 0.85 117.51 121.26 1ocr h ILE 365 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1ocr h ILE 365 Cb 0.32 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 1ocr h ILE 365 CO 0.00 0.00 -0.34 0.55 -0.69 0.00 0.00 178.15 177.67 1ocr n VAL 366 N -5.22 0.19 -0.06 1.67 3.14 -1.02 -3.91 118.33 113.12 1ocr n VAL 366 Ca -0.03 -0.12 -0.01 0.00 -2.96 0.00 0.00 64.34 61.22 1ocr n VAL 366 Cb 0.14 -0.17 -0.15 0.00 -1.06 0.00 0.00 33.84 32.61 1ocr n VAL 366 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1ocr n LEU 367 N -1.79 0.00 -4.62 6.55 4.77 -1.03 -4.87 117.00 116.01 1ocr n LEU 367 Ca 0.05 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.62 1ocr n LEU 367 Cb 0.38 0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.74 1ocr n LEU 367 CO 0.33 0.26 0.61 1.57 -1.33 0.00 0.00 177.39 178.83 1ocr n HIS 368 N -2.47 1.26 -1.85 -1.77 -0.00 0.29 -1.63 115.22 109.06 1ocr n HIS 368 Ca -0.19 0.57 -0.17 0.00 0.46 0.00 0.00 57.72 58.39 1ocr n HIS 368 Cb 0.85 -2.24 -0.05 0.00 -0.12 0.00 0.00 29.99 28.43 1ocr n HIS 368 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1ocr n ASP 369 N 0.56 -4.71 -4.82 0.26 8.00 -1.26 -4.98 116.55 109.60 1ocr n ASP 369 Ca 0.09 0.29 -0.28 0.00 0.71 0.00 0.00 54.79 55.61 1ocr n ASP 369 Cb 0.38 -4.13 -0.05 0.00 -0.02 0.00 0.00 41.12 37.31 1ocr n ASP 369 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1ocr s THR 370 N -2.61 1.71 -1.29 -3.53 -4.23 -0.64 -1.79 115.64 103.25 1ocr s THR 370 Ca 0.00 -1.69 0.15 0.00 -1.18 0.00 0.00 61.69 58.96 1ocr s THR 370 Cb 0.00 -2.40 0.21 0.00 1.34 0.00 0.00 72.50 71.65 1ocr s THR 370 CO 0.00 0.00 1.42 -1.22 -0.54 0.00 0.00 174.62 174.28 1ocr n TYR 371 N -1.47 0.00 0.05 3.99 4.02 -0.77 -2.29 117.16 120.68 1ocr n TYR 371 Ca -0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.81 1ocr n TYR 371 Cb 0.65 -0.35 0.26 0.00 -0.02 0.00 0.00 39.34 39.88 1ocr n TYR 371 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 1ocr h TYR 372 N 0.00 0.44 0.00 -0.72 3.20 -1.83 -0.64 116.97 117.41 1ocr h TYR 372 Ca 0.00 -0.08 -0.17 0.00 3.14 0.00 0.00 58.73 61.62 1ocr h TYR 372 Cb 0.17 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1ocr h TYR 372 CO 0.00 0.59 -0.79 -0.39 -1.64 0.00 0.00 178.16 175.93 1ocr h VAL 373 N 0.36 1.49 -0.22 1.81 -1.51 -1.69 -2.46 116.25 114.03 1ocr h VAL 373 Ca 0.06 -2.79 -0.08 0.00 -1.23 0.00 0.00 66.70 62.66 1ocr h VAL 373 Cb 0.58 2.54 -0.01 0.00 -2.13 0.00 0.00 31.29 32.26 1ocr h VAL 373 CO 0.04 0.78 -0.21 0.58 -1.23 0.00 0.00 177.57 177.53 1ocr h VAL 374 N 0.00 1.24 -0.23 7.19 2.07 -1.49 -2.04 116.25 122.99 1ocr h VAL 374 Ca -0.01 -1.12 -0.08 0.00 0.82 0.00 0.00 66.70 66.31 1ocr h VAL 374 Cb 1.47 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1ocr h VAL 374 CO 0.10 0.35 -0.18 0.00 0.02 0.00 0.00 177.57 177.87 1ocr h ALA 375 N 1.43 0.33 0.39 1.67 0.00 -0.98 -2.77 119.26 119.33 1ocr h ALA 375 Ca 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1ocr h ALA 375 Cb 0.57 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ocr h ALA 375 CO 0.04 0.25 -0.32 1.25 0.00 0.00 0.00 179.25 180.47 1ocr h HIS 376 N 0.22 -0.87 0.00 0.00 6.17 -1.00 -2.12 115.15 117.55 1ocr h HIS 376 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1ocr h HIS 376 Cb 0.72 0.33 0.00 0.00 2.52 0.00 0.00 27.41 30.97 1ocr h HIS 376 CO 0.07 -0.44 0.00 1.97 0.71 0.00 0.00 177.93 180.24 1ocr n PHE 377 N -4.32 0.81 0.09 5.26 1.16 -0.81 -1.16 117.46 118.49 1ocr n PHE 377 Ca -0.08 0.36 0.02 0.00 -1.87 0.00 0.00 57.45 55.88 1ocr n PHE 377 Cb 0.30 -1.08 -0.03 0.00 -1.61 0.00 0.00 39.48 37.07 1ocr n PHE 377 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1ocr h HIS 378 N 0.00 0.00 0.13 2.97 3.86 -1.30 -1.01 115.15 119.80 1ocr h HIS 378 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1ocr h HIS 378 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1ocr h HIS 378 CO 0.00 0.52 -0.06 1.88 0.86 0.00 0.00 177.93 181.12 1ocr h TYR 379 N 0.00 -0.17 0.00 2.45 -1.99 -0.45 0.10 116.97 116.92 1ocr h TYR 379 Ca -0.08 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.61 1ocr h TYR 379 Cb 1.46 0.06 -0.01 0.00 2.00 0.00 0.00 36.73 40.24 1ocr h TYR 379 CO 0.00 0.25 -0.21 -0.39 -0.00 0.00 0.00 178.16 177.81 1ocr h VAL 380 N -0.65 0.52 0.00 -2.88 -1.51 -1.54 -2.12 116.25 108.07 1ocr h VAL 380 Ca -0.02 -1.09 -0.42 0.00 -1.23 0.00 0.00 66.70 63.95 1ocr h VAL 380 Cb 0.49 1.75 -0.06 0.00 -2.13 0.00 0.00 31.29 31.34 1ocr h VAL 380 CO 0.03 0.21 -2.37 0.18 -1.23 0.00 0.00 177.57 174.39 1ocr n LEU 381 N -3.38 1.96 0.15 4.19 4.77 -0.38 -2.82 117.00 121.48 1ocr n LEU 381 Ca 0.00 0.34 0.13 0.00 -0.03 0.00 0.00 56.01 56.45 1ocr n LEU 381 Cb 0.42 -0.82 0.40 0.00 -2.33 0.00 0.00 43.42 41.09 1ocr n LEU 381 CO 0.33 0.48 0.87 -1.28 -1.33 0.00 0.00 177.39 176.47 1ocr h SER 382 N -1.00 0.00 0.00 -1.43 0.87 -0.95 -2.40 113.55 108.64 1ocr h SER 382 Ca -0.63 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 1ocr h SER 382 Cb 1.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1ocr h SER 382 CO -0.38 0.00 0.00 0.23 -0.53 0.00 0.00 176.83 176.15 1ocr n MET 383 N -2.51 1.23 0.00 2.24 2.81 -0.82 -4.43 117.12 115.65 1ocr n MET 383 Ca 0.04 -0.94 0.00 0.00 -1.81 0.00 0.00 57.70 54.99 1ocr n MET 383 Cb 0.40 -0.86 0.00 0.00 -0.71 0.00 0.00 33.22 32.05 1ocr n MET 383 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ocr n GLY 384 N -0.24 0.23 0.38 3.03 0.00 -1.09 -4.40 105.19 103.09 1ocr n GLY 384 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1ocr n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ocr h ALA 385 N -0.27 -0.17 -0.97 4.61 0.00 -1.35 -0.18 119.26 120.94 1ocr h ALA 385 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ocr h ALA 385 Cb 0.00 0.93 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1ocr h ALA 385 CO 0.00 -0.76 0.64 0.28 0.00 0.00 0.00 179.25 179.41 1ocr h VAL 386 N -0.16 1.23 -0.38 0.00 2.07 -1.66 0.09 116.25 117.44 1ocr h VAL 386 Ca 0.22 -0.44 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 1ocr h VAL 386 Cb 0.56 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1ocr h VAL 386 CO -0.74 0.24 -0.22 -0.26 0.02 0.00 0.00 177.57 176.61 1ocr h PHE 387 N 1.29 0.86 -0.27 1.57 -1.00 -1.28 -0.93 116.94 117.18 1ocr h PHE 387 Ca 0.36 -0.19 -0.05 0.00 2.81 0.00 0.00 57.97 60.90 1ocr h PHE 387 Cb -0.13 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.22 1ocr h PHE 387 CO -0.00 0.91 -0.01 0.00 -1.61 0.00 0.00 178.31 177.60 1ocr h ALA 388 N 1.09 0.36 -0.80 2.45 0.00 -0.62 -1.02 119.26 120.73 1ocr h ALA 388 Ca 0.09 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1ocr h ALA 388 Cb 0.72 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1ocr h ALA 388 CO 0.06 0.11 0.52 0.82 0.00 0.00 0.00 179.25 180.76 1ocr h ILE 389 N 0.26 0.98 -0.02 0.00 2.04 -0.75 0.60 117.51 120.62 1ocr h ILE 389 Ca 0.07 -0.27 -0.19 0.00 1.00 0.00 0.00 64.86 65.47 1ocr h ILE 389 Cb 0.44 0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1ocr h ILE 389 CO 0.02 0.14 -0.73 0.24 0.00 0.00 0.00 178.15 177.82 1ocr h MET 390 N 0.79 0.53 -0.28 2.37 2.86 -0.75 -1.95 114.93 118.50 1ocr h MET 390 Ca 0.36 -0.54 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1ocr h MET 390 Cb 0.37 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1ocr h MET 390 CO -0.14 1.17 0.15 0.78 1.06 0.00 0.00 176.91 179.93 1ocr h GLY 391 N 0.10 0.43 1.14 8.32 0.00 -0.68 -1.55 103.07 110.82 1ocr h GLY 391 Ca -0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1ocr h GLY 391 CO 0.14 0.19 0.37 -1.33 0.00 0.00 0.00 176.54 175.92 1ocr h GLY 392 N 0.33 1.20 0.81 4.60 0.00 -0.97 -1.63 103.07 107.41 1ocr h GLY 392 Ca 0.10 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1ocr h GLY 392 CO -0.01 0.56 0.03 -2.75 0.00 0.00 0.00 176.54 174.36 1ocr h PHE 393 N 1.11 0.22 0.00 5.60 3.57 -0.91 -1.58 116.94 124.95 1ocr h PHE 393 Ca 0.27 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 1ocr h PHE 393 Cb 0.12 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1ocr h PHE 393 CO 0.01 0.38 -0.32 -0.39 -2.23 0.00 0.00 178.31 175.77 1ocr h VAL 394 N -0.00 0.73 -0.04 1.41 -1.51 -1.15 0.29 116.25 115.97 1ocr h VAL 394 Ca 0.04 -1.40 -0.11 0.00 -1.23 0.00 0.00 66.70 63.99 1ocr h VAL 394 Cb 0.28 1.90 0.01 0.00 -2.13 0.00 0.00 31.29 31.35 1ocr h VAL 394 CO 0.00 0.31 -0.42 -0.74 -1.23 0.00 0.00 177.57 175.49 1ocr h HIS 395 N 0.00 0.51 -0.01 5.19 -0.00 -1.13 -3.33 115.15 116.37 1ocr h HIS 395 Ca -0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 1ocr h HIS 395 Cb 0.88 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.22 1ocr h HIS 395 CO 0.00 1.02 -0.50 0.91 -0.00 0.00 0.00 177.93 179.36 1ocr n TRP 396 N -4.35 0.00 -0.29 5.26 8.01 -0.61 -4.41 117.44 121.06 1ocr n TRP 396 Ca -0.09 0.00 0.09 0.00 -1.31 0.00 0.00 57.50 56.19 1ocr n TRP 396 Cb 0.57 -0.05 0.25 0.00 -2.01 0.00 0.00 31.31 30.07 1ocr n TRP 396 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.69 177.03 1ocr h PHE 397 N 1.61 0.65 -0.18 -5.99 3.57 -1.05 0.21 116.94 115.77 1ocr h PHE 397 Ca 0.00 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1ocr h PHE 397 Cb 0.64 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1ocr h PHE 397 CO 0.00 0.06 -0.09 -1.35 -2.23 0.00 0.00 178.31 174.70 1ocr h PRO 398 N 0.49 0.27 -0.24 6.41 0.11 -1.77 -0.34 132.00 136.93 1ocr h PRO 398 Ca 0.49 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.41 1ocr h PRO 398 Cb 0.81 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 1ocr h PRO 398 CO -0.44 0.38 -0.43 1.25 -0.21 0.00 0.00 178.00 178.54 1ocr h LEU 399 N 0.26 0.62 -0.10 2.35 5.85 -1.28 0.23 115.31 123.24 1ocr h LEU 399 Ca 0.06 -0.29 -0.24 0.00 0.84 0.00 0.00 57.88 58.25 1ocr h LEU 399 Cb 0.33 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.20 1ocr h LEU 399 CO 0.02 0.97 -0.96 -0.26 -0.34 0.00 0.00 178.44 177.86 1ocr h PHE 400 N 0.47 0.87 0.00 1.25 0.04 -0.53 -3.38 116.94 115.66 1ocr h PHE 400 Ca 0.04 -0.46 -0.33 0.00 2.80 0.00 0.00 57.97 60.02 1ocr h PHE 400 Cb 0.94 -0.10 -0.06 0.00 2.20 0.00 0.00 35.95 38.93 1ocr h PHE 400 CO 0.04 1.28 -2.24 -1.13 -0.60 0.00 0.00 178.31 175.66 1ocr n SER 401 N -3.82 1.00 0.00 2.17 3.41 -0.21 -4.77 113.62 111.40 1ocr n SER 401 Ca -0.09 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1ocr n SER 401 Cb 0.84 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 65.41 1ocr n SER 401 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ocr n GLY 402 N 2.03 0.71 3.57 5.00 0.00 0.81 -4.55 105.19 112.76 1ocr n GLY 402 Ca -0.32 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 1ocr n GLY 402 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ocr s TYR 403 N -2.48 2.54 0.17 1.61 2.02 -1.26 -1.58 117.35 118.37 1ocr s TYR 403 Ca 0.00 -0.26 0.06 0.00 -0.37 0.00 0.00 57.07 56.50 1ocr s TYR 403 Cb 0.00 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.38 1ocr s TYR 403 CO 0.00 0.63 0.07 0.95 -1.57 0.00 0.00 175.55 175.63 1ocr s THR 404 N -2.26 4.12 0.52 -0.71 -4.23 -0.89 -3.79 115.64 108.41 1ocr s THR 404 Ca 0.30 -1.25 -0.05 0.00 -1.18 0.00 0.00 61.69 59.51 1ocr s THR 404 Cb -0.06 -3.09 -0.01 0.00 1.34 0.00 0.00 72.50 70.67 1ocr s THR 404 CO 0.17 -0.11 0.82 -0.76 -0.54 0.00 0.00 174.62 174.20 1ocr s LEU 405 N -3.03 3.46 -0.65 4.79 1.43 -1.26 -4.68 118.68 118.73 1ocr s LEU 405 Ca 0.29 0.77 -0.24 0.00 -1.03 0.00 0.00 54.13 53.91 1ocr s LEU 405 Cb -0.10 -3.66 0.05 0.00 0.03 0.00 0.00 46.19 42.52 1ocr s LEU 405 CO 0.21 -0.80 1.06 0.21 0.23 0.00 0.00 176.35 177.26 1ocr s ASN 406 N -4.20 6.22 0.42 2.29 3.84 -1.26 -4.89 114.94 117.36 1ocr s ASN 406 Ca 0.50 -0.64 0.25 0.00 0.21 0.00 0.00 52.86 53.18 1ocr s ASN 406 Cb -0.10 -2.47 1.27 0.00 -0.55 0.00 0.00 41.25 39.40 1ocr s ASN 406 CO 0.44 -1.51 1.71 0.44 -2.79 0.00 0.00 177.10 175.39 1ocr h ASP 407 N 9.64 0.33 -0.20 -4.21 5.19 -1.99 -2.02 116.42 123.16 1ocr h ASP 407 Ca -0.28 0.10 -0.06 0.00 -0.62 0.00 0.00 57.03 56.17 1ocr h ASP 407 Cb 1.06 0.06 -0.00 0.00 0.18 0.00 0.00 39.33 40.63 1ocr h ASP 407 CO 1.19 -0.03 -0.11 0.74 -3.12 0.00 0.00 179.24 177.91 1ocr h THR 408 N 0.24 1.31 -0.80 0.35 2.02 -2.00 -2.41 112.91 111.61 1ocr h THR 408 Ca 0.69 -1.18 0.02 0.00 0.77 0.00 0.00 66.41 66.70 1ocr h THR 408 Cb 2.01 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 70.04 1ocr h THR 408 CO -0.33 0.36 0.53 -0.50 0.37 0.00 0.00 175.52 175.95 1ocr h TRP 409 N 0.12 1.00 -0.90 3.16 -0.00 -1.80 -0.68 115.95 116.85 1ocr h TRP 409 Ca 0.04 0.02 0.04 0.00 -0.00 0.00 0.00 58.89 59.00 1ocr h TRP 409 Cb 0.60 -0.33 -0.05 0.00 -0.00 0.00 0.00 29.16 29.38 1ocr h TRP 409 CO 0.07 0.61 0.59 0.00 -0.00 0.00 0.00 178.44 179.70 1ocr h ALA 410 N 1.31 1.45 -0.16 1.49 0.00 -1.31 0.54 119.26 122.59 1ocr h ALA 410 Ca 0.30 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 1ocr h ALA 410 Cb -0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1ocr h ALA 410 CO -0.08 0.45 -0.59 0.87 0.00 0.00 0.00 179.25 179.90 1ocr h LYS 411 N 1.10 0.52 -0.07 0.00 1.57 -0.78 -1.49 116.57 117.42 1ocr h LYS 411 Ca 0.36 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1ocr h LYS 411 Cb 0.06 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1ocr h LYS 411 CO -0.12 0.96 0.04 0.82 -0.57 0.00 0.00 179.45 180.58 1ocr h ILE 412 N 0.39 1.06 -0.32 1.86 2.04 -0.03 -1.46 117.51 121.05 1ocr h ILE 412 Ca -0.00 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.76 1ocr h ILE 412 Cb 1.14 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 38.19 1ocr h ILE 412 CO 0.11 0.05 -0.13 -0.74 0.00 0.00 0.00 178.15 177.45 1ocr h HIS 413 N 0.05 -0.30 -0.15 1.37 2.76 -0.72 -1.53 115.15 116.63 1ocr h HIS 413 Ca 0.03 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.25 1ocr h HIS 413 Cb 0.05 0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 1ocr h HIS 413 CO -0.05 -0.20 0.01 0.35 -1.30 0.00 0.00 177.93 176.74 1ocr h PHE 414 N -0.07 0.01 -0.64 5.26 3.57 -1.01 -2.32 116.94 121.75 1ocr h PHE 414 Ca 0.16 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.78 1ocr h PHE 414 Cb 0.31 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 1ocr h PHE 414 CO -0.34 -0.01 0.23 0.00 -2.23 0.00 0.00 178.31 175.96 1ocr h ALA 415 N 1.12 0.84 0.07 2.41 0.00 -0.29 -0.12 119.26 123.30 1ocr h ALA 415 Ca 0.07 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ocr h ALA 415 Cb 0.08 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ocr h ALA 415 CO -0.11 -0.21 -0.04 0.82 0.00 0.00 0.00 179.25 179.71 1ocr h ILE 416 N 0.39 1.05 -0.41 0.00 2.04 -1.18 -2.79 117.51 116.61 1ocr h ILE 416 Ca 0.33 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1ocr h ILE 416 Cb 0.45 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1ocr h ILE 416 CO -0.35 0.11 0.20 -0.03 0.00 0.00 0.00 178.15 178.08 1ocr h MET 417 N -0.30 0.57 -0.70 2.37 4.05 -1.16 -0.64 114.93 119.12 1ocr h MET 417 Ca -0.01 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.31 1ocr h MET 417 Cb 0.26 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 1ocr h MET 417 CO 0.02 0.44 0.27 0.35 0.23 0.00 0.00 176.91 178.22 1ocr h PHE 418 N 0.57 1.05 0.14 1.39 3.57 -0.83 -2.27 116.94 120.55 1ocr h PHE 418 Ca 0.14 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1ocr h PHE 418 Cb 0.06 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1ocr h PHE 418 CO 0.00 0.80 -0.07 0.28 -2.23 0.00 0.00 178.31 177.10 1ocr h VAL 419 N 1.01 0.89 -0.50 1.41 2.07 -1.13 -3.18 116.25 116.82 1ocr h VAL 419 Ca 0.23 -1.19 0.07 0.00 0.82 0.00 0.00 66.70 66.64 1ocr h VAL 419 Cb 0.21 1.51 -0.10 0.00 -1.52 0.00 0.00 31.29 31.39 1ocr h VAL 419 CO -0.02 0.24 -0.46 1.23 0.02 0.00 0.00 177.57 178.58 1ocr h GLY 420 N -0.86 -0.60 1.43 2.17 0.00 -1.10 -1.20 103.07 102.92 1ocr h GLY 420 Ca -0.02 0.59 -0.03 0.00 0.00 0.00 0.00 47.33 47.87 1ocr h GLY 420 CO 0.03 -0.16 0.20 -0.39 0.00 0.00 0.00 176.54 176.22 1ocr h VAL 421 N -0.29 1.19 -0.17 4.60 -1.51 -1.54 -0.86 116.25 117.67 1ocr h VAL 421 Ca 0.15 -0.60 -0.20 0.00 -1.23 0.00 0.00 66.70 64.81 1ocr h VAL 421 Cb 0.57 0.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 1ocr h VAL 421 CO -0.64 0.23 -0.70 0.78 -1.23 0.00 0.00 177.57 176.01 1ocr h ASN 422 N 0.72 0.86 -0.71 4.19 2.35 -1.39 -1.53 115.58 120.07 1ocr h ASN 422 Ca 0.17 -0.53 -0.06 0.00 -0.55 0.00 0.00 56.30 55.34 1ocr h ASN 422 Cb 0.16 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1ocr h ASN 422 CO -0.02 1.31 0.23 -0.03 -1.65 0.00 0.00 177.43 177.27 1ocr h MET 423 N 0.52 1.11 -0.09 0.81 4.05 -0.89 0.86 114.93 121.29 1ocr h MET 423 Ca -0.03 -0.23 -0.02 0.00 -0.28 0.00 0.00 59.70 59.14 1ocr h MET 423 Cb 1.31 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.95 1ocr h MET 423 CO 0.14 0.94 -0.01 1.15 0.23 0.00 0.00 176.91 179.37 1ocr h THR 424 N 1.06 1.26 0.00 -0.77 2.02 -1.05 -3.39 112.91 112.05 1ocr h THR 424 Ca 0.23 -0.84 -0.18 0.00 0.77 0.00 0.00 66.41 66.39 1ocr h THR 424 Cb 0.30 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 1ocr h THR 424 CO -0.01 0.24 -2.11 0.49 0.37 0.00 0.00 175.52 174.50 1ocr n PHE 425 N -4.81 0.10 -0.07 3.16 3.72 -0.59 -4.45 117.46 114.53 1ocr n PHE 425 Ca -0.06 0.03 -0.08 0.00 -0.05 0.00 0.00 57.45 57.29 1ocr n PHE 425 Cb 0.21 -0.78 -0.01 0.00 -0.94 0.00 0.00 39.48 37.96 1ocr n PHE 425 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1ocr h PHE 426 N 0.00 0.15 -0.95 1.38 3.57 -1.01 -2.61 116.94 117.47 1ocr h PHE 426 Ca -0.26 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.42 1ocr h PHE 426 Cb 1.61 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 40.24 1ocr h PHE 426 CO 0.00 0.06 0.60 -1.35 -2.23 0.00 0.00 178.31 175.40 1ocr h PRO 427 N 0.20 0.71 0.00 6.41 0.11 -1.77 -1.44 132.00 136.21 1ocr h PRO 427 Ca 0.12 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1ocr h PRO 427 Cb 0.10 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1ocr h PRO 427 CO -0.13 0.47 0.21 1.96 -0.21 0.00 0.00 178.00 180.29 1ocr h GLN 428 N 0.73 0.00 -0.23 1.05 4.20 -1.68 0.10 115.11 119.28 1ocr h GLN 428 Ca 0.50 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 59.07 1ocr h GLN 428 Cb 0.81 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1ocr h GLN 428 CO -0.27 0.00 -0.45 0.45 -0.67 0.00 0.00 178.83 177.89 1ocr h HIS 429 N 0.00 0.71 -0.05 2.96 3.86 -1.37 -2.81 115.15 118.45 1ocr h HIS 429 Ca 0.00 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 58.98 1ocr h HIS 429 Cb 0.41 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 1ocr h HIS 429 CO 0.00 0.93 0.00 0.74 0.86 0.00 0.00 177.93 180.46 1ocr h PHE 430 N 0.47 0.08 -0.80 2.45 0.04 -0.99 -2.31 116.94 115.89 1ocr h PHE 430 Ca 0.03 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.92 1ocr h PHE 430 Cb 0.97 -0.02 -0.09 0.00 2.20 0.00 0.00 35.95 39.01 1ocr h PHE 430 CO 0.04 0.34 0.39 -0.07 -0.60 0.00 0.00 178.31 178.41 1ocr h LEU 431 N -0.20 0.46 -0.11 1.54 3.38 -1.49 -0.59 115.31 118.30 1ocr h LEU 431 Ca 0.01 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1ocr h LEU 431 Cb 0.31 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ocr h LEU 431 CO 0.00 0.21 -0.15 1.23 0.09 0.00 0.00 178.44 179.82 1ocr h GLY 432 N 0.58 0.32 0.89 0.83 0.00 -1.41 0.84 103.07 105.12 1ocr h GLY 432 Ca 0.42 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.43 1ocr h GLY 432 CO -0.35 0.32 0.62 1.41 0.00 0.00 0.00 176.54 178.54 1ocr h LEU 433 N -0.12 1.04 -0.11 3.11 3.38 -1.02 -0.49 115.31 121.09 1ocr h LEU 433 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ocr h LEU 433 Cb 0.70 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ocr h LEU 433 CO 0.04 0.72 0.00 -1.54 0.09 0.00 0.00 178.44 177.74 1ocr n SER 434 N -4.47 0.17 0.00 -0.43 3.41 -0.27 -4.91 113.62 107.12 1ocr n SER 434 Ca 0.12 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 1ocr n SER 434 Cb 0.09 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1ocr n SER 434 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ocr n GLY 435 N 0.72 0.68 3.66 5.00 0.00 -0.19 -5.03 105.19 110.02 1ocr n GLY 435 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1ocr n GLY 435 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ocr s MET 436 N -0.79 4.15 0.97 1.61 0.00 0.23 -4.96 119.30 120.50 1ocr s MET 436 Ca 0.00 2.11 -0.12 0.00 0.00 0.00 0.00 55.69 57.68 1ocr s MET 436 Cb 0.00 -3.98 0.17 0.00 0.00 0.00 0.00 34.83 31.02 1ocr s MET 436 CO 0.00 -0.88 1.09 -2.14 0.00 0.00 0.00 175.02 173.09 1ocr s PRO 437 N 4.07 0.68 0.44 4.11 0.02 -1.26 -1.85 135.00 141.20 1ocr s PRO 437 Ca 0.72 0.75 0.01 0.00 0.02 0.00 0.00 61.00 62.50 1ocr s PRO 437 Cb -0.32 -1.75 -0.01 0.00 0.02 0.00 0.00 34.50 32.45 1ocr s PRO 437 CO 0.29 -2.62 0.66 1.03 -0.33 0.00 0.00 177.00 176.02 1ocr s ARG 438 N -4.87 3.09 -1.41 5.54 0.52 -0.74 -4.43 118.95 116.66 1ocr s ARG 438 Ca 0.65 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 55.36 1ocr s ARG 438 Cb -0.19 -2.57 0.00 0.00 0.52 0.00 0.00 34.95 32.70 1ocr s ARG 438 CO 0.58 -0.23 0.00 0.54 0.02 0.00 0.00 175.30 176.21 1ocr n ARG 439 N -2.05 -1.24 -4.36 3.54 1.74 -1.26 -4.99 116.66 108.04 1ocr n ARG 439 Ca 0.01 0.81 -0.34 0.00 -0.77 0.00 0.00 57.85 57.56 1ocr n ARG 439 Cb 0.58 -5.16 -0.09 0.00 -1.02 0.00 0.00 32.46 26.76 1ocr n ARG 439 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ocr s TYR 440 N -2.76 3.15 -1.85 -1.55 1.51 -1.26 -4.99 117.35 109.59 1ocr s TYR 440 Ca 0.00 0.17 0.25 0.00 -1.01 0.00 0.00 57.07 56.48 1ocr s TYR 440 Cb 0.00 -1.77 0.48 0.00 -0.11 0.00 0.00 41.96 40.56 1ocr s TYR 440 CO 0.00 0.47 1.39 -1.13 -1.11 0.00 0.00 175.55 175.17 1ocr n SER 441 N 2.00 1.38 -3.64 2.29 3.41 -1.26 -4.94 113.62 112.87 1ocr n SER 441 Ca -0.18 -1.12 -0.10 0.00 -0.26 0.00 0.00 58.87 57.22 1ocr n SER 441 Cb 0.53 0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.72 1ocr n SER 441 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ocr s ASP 442 N -2.49 -0.38 0.04 4.04 -1.08 -1.26 -4.70 116.67 110.83 1ocr s ASP 442 Ca 0.22 -0.31 -0.10 0.00 -0.52 0.00 0.00 52.55 51.84 1ocr s ASP 442 Cb 0.19 0.62 0.01 0.00 -1.46 0.00 0.00 42.92 42.27 1ocr s ASP 442 CO 0.54 -1.08 0.21 -0.72 0.52 0.00 0.00 175.17 174.64 1ocr s TYR 443 N -3.83 0.02 0.47 -5.34 -0.85 -1.26 -5.08 117.35 101.49 1ocr s TYR 443 Ca 0.06 -0.21 -0.23 0.00 -0.52 0.00 0.00 57.07 56.17 1ocr s TYR 443 Cb -0.02 -0.01 -0.09 0.00 0.38 0.00 0.00 41.96 42.22 1ocr s TYR 443 CO -0.05 -0.43 1.06 -2.30 -1.52 0.00 0.00 175.55 172.31 1ocr n PRO 444 N 0.75 1.36 -0.38 -3.49 -0.02 -1.26 -4.83 135.00 127.14 1ocr n PRO 444 Ca -0.19 0.50 0.31 0.00 -2.02 0.00 0.00 63.50 62.10 1ocr n PRO 444 Cb 0.59 -2.17 0.62 0.00 -0.02 0.00 0.00 33.50 32.52 1ocr n PRO 444 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1ocr h ASP 445 N 1.37 0.26 -0.32 2.55 3.32 -2.03 -2.24 116.42 119.32 1ocr h ASP 445 Ca -0.46 0.07 0.09 0.00 0.02 0.00 0.00 57.03 56.75 1ocr h ASP 445 Cb 1.33 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 1ocr h ASP 445 CO 0.56 -0.01 0.26 0.00 -1.72 0.00 0.00 179.24 178.33 1ocr h ALA 446 N 1.53 2.19 -0.29 3.45 0.00 -2.05 -1.89 119.26 122.20 1ocr h ALA 446 Ca 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1ocr h ALA 446 Cb 2.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.91 1ocr h ALA 446 CO -0.24 -0.43 0.00 0.66 0.00 0.00 0.00 179.25 179.24 1ocr n TYR 447 N -4.21 0.79 -0.04 0.00 4.01 -0.84 -4.50 117.16 112.35 1ocr n TYR 447 Ca 0.05 -0.30 -0.13 0.00 -0.16 0.00 0.00 57.90 57.37 1ocr n TYR 447 Cb 0.43 -0.19 -0.07 0.00 -0.31 0.00 0.00 39.34 39.19 1ocr n TYR 447 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1ocr h THR 448 N 1.89 1.32 0.07 -0.72 2.02 -1.54 -3.14 112.91 112.82 1ocr h THR 448 Ca 0.00 -1.11 0.02 0.00 0.77 0.00 0.00 66.41 66.09 1ocr h THR 448 Cb 0.93 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 69.11 1ocr h THR 448 CO 0.15 0.32 -0.25 -0.03 0.37 0.00 0.00 175.52 176.08 1ocr h MET 449 N -0.10 -0.42 -0.32 6.66 1.85 -1.84 -1.10 114.93 119.66 1ocr h MET 449 Ca 0.03 0.03 -0.04 0.00 -0.61 0.00 0.00 59.70 59.10 1ocr h MET 449 Cb 0.53 0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.64 1ocr h MET 449 CO 0.02 -0.28 0.03 -1.49 -0.40 0.00 0.00 176.91 174.79 1ocr h TRP 450 N -0.43 0.50 0.00 1.39 -0.00 -1.91 -0.78 115.95 114.72 1ocr h TRP 450 Ca 0.04 -0.04 -0.07 0.00 -0.00 0.00 0.00 58.89 58.82 1ocr h TRP 450 Cb 0.48 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 29.48 1ocr h TRP 450 CO -0.25 0.48 -0.35 -0.91 -0.00 0.00 0.00 178.44 177.41 1ocr h ASN 451 N 0.47 0.00 -0.00 -3.49 2.35 -1.38 -0.75 115.58 112.78 1ocr h ASN 451 Ca 0.11 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 1ocr h ASN 451 Cb 0.27 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.65 1ocr h ASN 451 CO 0.00 0.35 -0.34 0.74 -1.65 0.00 0.00 177.43 176.53 1ocr h THR 452 N 0.00 1.52 -0.38 2.81 2.02 0.08 -2.13 112.91 116.82 1ocr h THR 452 Ca -0.00 -1.99 -0.01 0.00 0.77 0.00 0.00 66.41 65.18 1ocr h THR 452 Cb 0.94 2.74 -0.02 0.00 -1.74 0.00 0.00 68.15 70.06 1ocr h THR 452 CO 0.05 0.55 0.22 0.40 0.37 0.00 0.00 175.52 177.11 1ocr h ILE 453 N -0.41 1.14 -0.36 3.11 2.04 -1.11 -2.44 117.51 119.48 1ocr h ILE 453 Ca -0.04 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.51 1ocr h ILE 453 Cb 1.09 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 1ocr h ILE 453 CO 0.07 0.14 0.15 -1.28 0.00 0.00 0.00 178.15 177.23 1ocr h SER 454 N 0.50 0.18 0.22 1.72 0.87 -1.19 -0.42 113.55 115.43 1ocr h SER 454 Ca 0.14 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 1ocr h SER 454 Cb 0.04 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1ocr h SER 454 CO -0.02 0.14 -0.19 0.28 -0.53 0.00 0.00 176.83 176.51 1ocr h SER 455 N 0.31 0.00 -0.36 6.23 0.02 -1.20 -2.08 113.55 116.46 1ocr h SER 455 Ca 0.16 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.99 1ocr h SER 455 Cb 0.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1ocr h SER 455 CO -0.15 0.19 -0.25 0.24 -1.14 0.00 0.00 176.83 175.72 1ocr h MET 456 N 0.00 0.81 -0.30 3.45 2.07 -0.65 -2.69 114.93 117.62 1ocr h MET 456 Ca -0.00 -0.39 0.00 0.00 -2.07 0.00 0.00 59.70 57.24 1ocr h MET 456 Cb 0.36 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.07 1ocr h MET 456 CO 0.03 1.02 0.20 0.78 1.07 0.00 0.00 176.91 180.00 1ocr h GLY 457 N 0.60 0.43 2.00 8.32 0.00 -0.48 -1.66 103.07 112.27 1ocr h GLY 457 Ca 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1ocr h GLY 457 CO 0.07 0.16 -0.08 1.48 0.00 0.00 0.00 176.54 178.16 1ocr h SER 458 N 0.41 0.00 1.20 0.19 4.64 -1.13 -1.32 113.55 117.54 1ocr h SER 458 Ca 0.11 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.28 1ocr h SER 458 Cb -0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1ocr h SER 458 CO -0.02 0.08 -0.82 -0.26 -0.87 0.00 0.00 176.83 174.94 1ocr h PHE 459 N 0.00 0.00 -0.17 4.77 -1.00 -1.29 -2.98 116.94 116.27 1ocr h PHE 459 Ca -0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1ocr h PHE 459 Cb 0.44 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 1ocr h PHE 459 CO 0.00 0.69 0.03 0.82 -1.61 0.00 0.00 178.31 178.25 1ocr h ILE 460 N 0.00 1.21 -0.59 -0.55 2.04 -1.21 -1.86 117.51 116.56 1ocr h ILE 460 Ca -0.04 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.19 1ocr h ILE 460 Cb 1.56 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.95 1ocr h ILE 460 CO 0.08 0.21 0.39 0.28 0.00 0.00 0.00 178.15 179.11 1ocr h SER 461 N 0.08 0.54 -0.57 1.72 0.02 -1.57 -0.80 113.55 112.95 1ocr h SER 461 Ca 0.05 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1ocr h SER 461 Cb 0.29 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1ocr h SER 461 CO 0.00 0.36 0.35 0.25 -1.14 0.00 0.00 176.83 176.66 1ocr h LEU 462 N 0.62 0.58 -0.57 5.07 5.85 -1.20 -0.86 115.31 124.80 1ocr h LEU 462 Ca 0.24 0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.00 1ocr h LEU 462 Cb 0.19 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1ocr h LEU 462 CO -0.07 0.41 0.34 0.74 -0.34 0.00 0.00 178.44 179.52 1ocr h THR 463 N 0.70 1.05 -0.91 1.05 2.02 -0.51 -1.97 112.91 114.34 1ocr h THR 463 Ca 0.23 -0.23 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1ocr h THR 463 Cb 0.01 0.32 -0.06 0.00 -1.74 0.00 0.00 68.15 66.68 1ocr h THR 463 CO -0.09 0.12 0.58 0.00 0.37 0.00 0.00 175.52 176.50 1ocr h ALA 464 N 1.26 1.23 0.00 6.16 0.00 -0.53 0.15 119.26 127.53 1ocr h ALA 464 Ca 0.23 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1ocr h ALA 464 Cb 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1ocr h ALA 464 CO -0.11 0.38 -0.57 -0.39 0.00 0.00 0.00 179.25 178.56 1ocr h VAL 465 N 1.08 1.11 -0.15 0.00 -1.51 -0.69 -0.99 116.25 115.10 1ocr h VAL 465 Ca 0.38 -2.20 -0.05 0.00 -1.23 0.00 0.00 66.70 63.60 1ocr h VAL 465 Cb 0.11 2.30 -0.00 0.00 -2.13 0.00 0.00 31.29 31.57 1ocr h VAL 465 CO -0.15 0.56 -0.09 0.24 -1.23 0.00 0.00 177.57 176.89 1ocr h MET 466 N 0.00 0.32 -0.72 5.19 2.86 -0.63 -2.59 114.93 119.37 1ocr h MET 466 Ca -0.01 -0.15 0.11 0.00 -2.06 0.00 0.00 59.70 57.59 1ocr h MET 466 Cb 1.26 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.83 1ocr h MET 466 CO 0.07 0.67 0.32 1.25 1.06 0.00 0.00 176.91 180.29 1ocr h LEU 467 N -0.02 0.38 -1.11 1.22 6.46 -0.87 -0.77 115.31 120.59 1ocr h LEU 467 Ca 0.03 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1ocr h LEU 467 Cb 0.59 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.50 1ocr h LEU 467 CO 0.03 0.19 0.60 -0.03 -0.62 0.00 0.00 178.44 178.61 1ocr h MET 468 N 0.53 1.18 -0.94 1.25 4.05 -0.91 -1.04 114.93 119.06 1ocr h MET 468 Ca 0.37 -0.07 0.03 0.00 -0.28 0.00 0.00 59.70 59.74 1ocr h MET 468 Cb 0.46 -0.27 -0.05 0.00 -0.80 0.00 0.00 31.60 30.95 1ocr h MET 468 CO -0.32 0.78 0.62 0.28 0.23 0.00 0.00 176.91 178.50 1ocr h VAL 469 N 1.22 1.19 -0.35 -5.77 2.07 -0.76 -2.23 116.25 111.62 1ocr h VAL 469 Ca 0.34 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1ocr h VAL 469 Cb -0.12 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.50 1ocr h VAL 469 CO -0.08 0.22 0.16 0.15 0.02 0.00 0.00 177.57 178.05 1ocr h PHE 470 N 1.22 0.51 -0.98 1.57 3.57 -0.99 -1.97 116.94 119.87 1ocr h PHE 470 Ca 0.36 -0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.96 1ocr h PHE 470 Cb -0.05 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 38.45 1ocr h PHE 470 CO -0.01 0.45 0.62 0.82 -2.23 0.00 0.00 178.31 177.96 1ocr h ILE 471 N 0.43 0.89 -0.16 1.41 2.04 -0.74 0.37 117.51 121.74 1ocr h ILE 471 Ca 0.12 -0.31 -0.19 0.00 1.00 0.00 0.00 64.86 65.48 1ocr h ILE 471 Cb 0.14 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1ocr h ILE 471 CO -0.01 0.17 -0.66 0.40 0.00 0.00 0.00 178.15 178.04 1ocr h ILE 472 N 0.92 1.32 0.58 -0.67 2.04 -1.24 -2.47 117.51 117.98 1ocr h ILE 472 Ca 0.49 -1.93 -0.03 0.00 1.00 0.00 0.00 64.86 64.39 1ocr h ILE 472 Cb 0.56 1.90 0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1ocr h ILE 472 CO -0.26 0.60 -0.28 -0.25 0.00 0.00 0.00 178.15 177.97 1ocr h TRP 473 N 0.46 -0.72 -0.76 1.37 7.01 0.10 -2.58 115.95 120.83 1ocr h TRP 473 Ca -0.02 -0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.12 1ocr h TRP 473 Cb 1.25 0.24 -0.05 0.00 -2.10 0.00 0.00 29.16 28.50 1ocr h TRP 473 CO 0.06 -0.42 0.51 1.05 -2.79 0.00 0.00 178.44 176.85 1ocr h GLU 474 N -0.87 0.35 -0.49 2.65 -0.00 -0.39 0.24 114.58 116.07 1ocr h GLU 474 Ca -0.08 -0.02 -0.07 0.00 -0.00 0.00 0.00 59.36 59.19 1ocr h GLU 474 Cb 0.63 -0.08 -0.02 0.00 -0.00 0.00 0.00 28.75 29.29 1ocr h GLU 474 CO 0.13 0.23 0.04 0.00 -0.00 0.00 0.00 179.01 179.41 1ocr h ALA 475 N 1.65 0.65 0.00 1.06 0.00 -1.13 0.15 119.26 121.63 1ocr h ALA 475 Ca 0.37 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1ocr h ALA 475 Cb 0.94 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1ocr h ALA 475 CO -0.11 0.43 -0.71 0.74 0.00 0.00 0.00 179.25 179.60 1ocr h PHE 476 N 0.70 0.00 -0.06 0.00 0.04 -0.73 -2.15 116.94 114.75 1ocr h PHE 476 Ca 0.14 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.67 1ocr h PHE 476 Cb 0.46 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.62 1ocr h PHE 476 CO 0.03 0.71 -0.94 0.00 -0.60 0.00 0.00 178.31 177.51 1ocr h ALA 477 N 1.29 0.23 0.08 2.45 0.00 -0.17 -3.33 119.26 119.81 1ocr h ALA 477 Ca -0.01 -0.66 -0.27 0.00 0.00 0.00 0.00 54.91 53.97 1ocr h ALA 477 Cb 1.26 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1ocr h ALA 477 CO 0.09 0.70 -1.15 0.77 0.00 0.00 0.00 179.25 179.67 1ocr h SER 478 N 0.43 0.64 -5.13 0.00 0.02 -0.73 -3.49 113.55 105.30 1ocr h SER 478 Ca -0.10 -0.59 -0.20 0.00 -0.84 0.00 0.00 61.79 60.06 1ocr h SER 478 Cb 1.58 -0.20 0.16 0.00 0.14 0.00 0.00 62.40 64.08 1ocr h SER 478 CO 0.18 1.41 -0.70 0.29 -1.14 0.00 0.00 176.83 176.88 1ocr n LYS 479 N -3.71 -1.90 -3.31 3.45 5.02 -0.81 -4.96 118.16 111.94 1ocr n LYS 479 Ca -0.10 0.80 -0.43 0.00 -2.02 0.00 0.00 58.31 56.55 1ocr n LYS 479 Cb 0.95 -5.27 -0.08 0.00 -0.02 0.00 0.00 35.03 30.61 1ocr n LYS 479 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ocr s ARG 480 N -4.13 3.07 0.53 1.97 0.52 -1.26 -5.04 118.95 114.62 1ocr s ARG 480 Ca 0.37 -0.89 -0.17 0.00 -0.52 0.00 0.00 55.73 54.53 1ocr s ARG 480 Cb -0.05 -4.02 -0.07 0.00 0.52 0.00 0.00 34.95 31.34 1ocr s ARG 480 CO 0.64 -0.93 1.01 -1.21 0.02 0.00 0.00 175.30 174.83 1ocr s GLU 481 N 2.11 3.74 0.30 3.54 2.02 -1.26 -2.10 118.70 127.05 1ocr s GLU 481 Ca 0.11 1.09 -0.28 0.00 0.02 0.00 0.00 54.97 55.91 1ocr s GLU 481 Cb -0.19 -2.10 -0.09 0.00 0.10 0.00 0.00 34.13 31.85 1ocr s GLU 481 CO 0.12 -0.45 0.98 0.08 0.02 0.00 0.00 175.26 176.01 1ocr s VAL 482 N -2.48 3.97 0.00 2.63 1.01 -0.62 -4.88 120.40 120.04 1ocr s VAL 482 Ca 0.61 1.80 0.00 0.00 0.00 0.00 0.00 61.98 64.39 1ocr s VAL 482 Cb -0.12 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1ocr s VAL 482 CO 0.31 0.29 0.00 0.18 0.00 0.00 0.00 175.10 175.88 1ocr n LEU 483 N 0.92 0.00 -4.36 3.92 4.77 -1.26 -4.94 117.00 116.04 1ocr n LEU 483 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 1ocr n LEU 483 Cb 0.48 -0.24 -0.13 0.00 -2.33 0.00 0.00 43.42 41.21 1ocr n LEU 483 CO 0.48 -0.33 -0.55 0.42 -1.33 0.00 0.00 177.39 176.08 1ocr s THR 484 N -0.66 2.11 0.02 -5.08 -4.23 -1.26 -5.03 115.64 101.50 1ocr s THR 484 Ca 0.00 -1.74 0.08 0.00 -1.18 0.00 0.00 61.69 58.85 1ocr s THR 484 Cb 0.00 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.92 1ocr s THR 484 CO 0.00 0.01 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.15 1ocr s VAL 485 N -1.20 1.96 0.61 2.29 1.01 -1.26 -5.14 120.40 118.68 1ocr s VAL 485 Ca 0.13 -1.20 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 1ocr s VAL 485 Cb -0.10 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1ocr s VAL 485 CO 0.06 0.42 1.01 -1.81 0.00 0.00 0.00 175.10 174.78 1ocr s ASP 486 N -0.92 6.09 -1.56 3.32 1.11 -1.26 -4.44 116.67 119.02 1ocr s ASP 486 Ca 0.10 1.29 -0.11 0.00 0.18 0.00 0.00 52.55 54.01 1ocr s ASP 486 Cb -0.09 -2.33 0.09 0.00 1.07 0.00 0.00 42.92 41.65 1ocr s ASP 486 CO 0.01 -0.91 0.72 0.18 1.18 0.00 0.00 175.17 176.35 1ocr n LEU 487 N -2.72 -2.14 0.26 1.23 4.77 -1.26 -4.87 117.00 112.26 1ocr n LEU 487 Ca 0.05 -0.94 0.15 0.00 -0.03 0.00 0.00 56.01 55.24 1ocr n LEU 487 Cb 0.55 -2.27 0.58 0.00 -2.33 0.00 0.00 43.42 39.94 1ocr n LEU 487 CO 0.57 0.38 0.92 0.71 -1.33 0.00 0.00 177.39 178.65 1ocr h THR 488 N -1.76 0.16 -0.26 -5.08 1.35 -1.86 -3.10 112.91 102.35 1ocr h THR 488 Ca -0.60 -0.73 0.01 0.00 -0.55 0.00 0.00 66.41 64.54 1ocr h THR 488 Cb 1.38 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 69.41 1ocr h THR 488 CO 0.70 0.06 0.17 0.71 -0.25 0.00 0.00 175.52 176.92 1ocr h THR 489 N 0.00 1.05 -0.16 6.82 1.35 -1.97 -2.16 112.91 117.84 1ocr h THR 489 Ca -0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1ocr h THR 489 Cb 0.62 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1ocr h THR 489 CO 0.01 0.06 0.00 0.35 -0.25 0.00 0.00 175.52 175.69 1ocr n THR 490 N -4.50 1.85 -3.14 6.82 -2.24 -1.18 -4.77 114.28 107.12 1ocr n THR 490 Ca 0.01 -1.80 -0.22 0.00 -2.27 0.00 0.00 64.05 59.77 1ocr n THR 490 Cb 0.09 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.20 1ocr n THR 490 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ocr n ASN 491 N -0.69 -0.41 -0.39 3.42 3.02 -0.81 -5.00 115.26 114.39 1ocr n ASN 491 Ca 0.16 -2.74 0.31 0.00 -0.03 0.00 0.00 54.58 52.28 1ocr n ASN 491 Cb 0.68 -0.23 0.60 0.00 -0.61 0.00 0.00 39.78 40.21 1ocr n ASN 491 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1ocr h LEU 492 N 4.21 0.32 -2.35 3.41 6.46 -1.86 -1.81 115.31 123.68 1ocr h LEU 492 Ca 0.06 0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.96 1ocr h LEU 492 Cb 0.91 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1ocr h LEU 492 CO 0.42 -0.08 0.09 1.05 -0.62 0.00 0.00 178.44 179.30 1ocr h GLU 493 N 0.20 0.00 0.00 1.25 9.09 -1.92 -1.73 114.58 121.48 1ocr h GLU 493 Ca 0.73 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 60.10 1ocr h GLU 493 Cb 2.15 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 29.25 1ocr h GLU 493 CO -0.37 0.00 -0.58 -1.49 0.05 0.00 0.00 179.01 176.62 1ocr h TRP 494 N 0.00 0.00 -0.14 2.06 4.06 -1.68 -3.39 115.95 116.86 1ocr h TRP 494 Ca 0.04 0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.03 1ocr h TRP 494 Cb 0.22 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 1ocr h TRP 494 CO 0.00 0.16 0.45 -0.07 -3.56 0.00 0.00 178.44 175.42 1ocr h LEU 495 N 0.00 0.00 -2.66 -4.49 3.38 -1.46 -0.47 115.31 109.61 1ocr h LEU 495 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ocr h LEU 495 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1ocr h LEU 495 CO 0.02 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.14 1ocr n ASN 496 N -3.08 4.07 0.00 -0.43 3.02 -1.26 -5.05 115.26 112.52 1ocr n ASN 496 Ca 0.01 -2.38 0.00 0.00 -0.03 0.00 0.00 54.58 52.18 1ocr n ASN 496 Cb 0.54 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1ocr n ASN 496 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ocr n GLY 497 N 0.98 -1.38 3.02 7.41 0.00 -0.18 -4.37 105.19 110.66 1ocr n GLY 497 Ca 0.21 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 1ocr n GLY 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ocr s PRO 499 N 1.37 3.69 0.67 0.00 0.04 -1.26 -4.33 135.00 135.18 1ocr s PRO 499 Ca -0.00 0.41 -0.15 0.00 0.04 0.00 0.00 61.00 61.29 1ocr s PRO 499 Cb -0.16 -2.36 0.01 0.00 0.04 0.00 0.00 34.50 32.03 1ocr s PRO 499 CO -0.09 -0.13 1.14 -1.25 0.04 0.00 0.00 177.00 176.71 1ocr s PRO 500 N -4.24 2.67 0.90 0.56 0.04 -0.97 -4.97 135.00 128.98 1ocr s PRO 500 Ca 0.50 1.51 -0.10 0.00 0.04 0.00 0.00 61.00 62.95 1ocr s PRO 500 Cb -0.10 -1.92 0.13 0.00 0.04 0.00 0.00 34.50 32.65 1ocr s PRO 500 CO 0.37 -1.38 1.13 -1.25 0.04 0.00 0.00 177.00 175.91 1ocr s PRO 501 N -3.97 1.17 0.21 0.56 0.04 -1.26 -4.90 135.00 126.85 1ocr s PRO 501 Ca 0.69 1.41 -0.13 0.00 0.04 0.00 0.00 61.00 63.00 1ocr s PRO 501 Cb -0.23 -1.76 0.24 0.00 0.04 0.00 0.00 34.50 32.79 1ocr s PRO 501 CO 0.41 -2.48 1.62 -0.92 0.04 0.00 0.00 177.00 175.68 1ocr h TYR 502 N -1.75 -0.35 -3.55 0.56 3.20 -2.01 -3.33 116.97 109.73 1ocr h TYR 502 Ca -0.44 0.06 -0.67 0.00 3.14 0.00 0.00 58.73 60.82 1ocr h TYR 502 Cb 1.26 0.26 -0.26 0.00 1.54 0.00 0.00 36.73 39.53 1ocr h TYR 502 CO 0.50 -0.28 -0.66 -1.01 -1.64 0.00 0.00 178.16 175.07 1ocr s HIS 503 N -6.23 3.08 0.23 -3.82 3.76 -1.26 -4.92 115.29 106.12 1ocr s HIS 503 Ca -0.14 -0.92 0.08 0.00 -0.15 0.00 0.00 55.06 53.93 1ocr s HIS 503 Cb 0.19 -2.19 -0.04 0.00 1.11 0.00 0.00 32.58 31.65 1ocr s HIS 503 CO 0.74 -0.54 0.03 0.95 -0.85 0.00 0.00 174.74 175.06 1ocr s THR 504 N 1.50 3.72 -1.48 1.30 -4.23 -1.25 -4.65 115.64 110.54 1ocr s THR 504 Ca 0.04 -1.64 -0.12 0.00 -1.18 0.00 0.00 61.69 58.79 1ocr s THR 504 Cb -0.16 -2.95 0.08 0.00 1.34 0.00 0.00 72.50 70.81 1ocr s THR 504 CO 0.00 -0.27 0.82 0.49 -0.54 0.00 0.00 174.62 175.13 1ocr n PHE 505 N -0.65 -2.13 0.16 3.99 3.72 -1.26 -4.43 117.46 116.86 1ocr n PHE 505 Ca -0.08 0.75 0.05 0.00 -0.05 0.00 0.00 57.45 58.13 1ocr n PHE 505 Cb 0.57 -3.77 0.50 0.00 -0.94 0.00 0.00 39.48 35.85 1ocr n PHE 505 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1ocr h GLU 506 N -1.73 0.19 -5.09 -1.08 4.81 -1.95 -3.32 114.58 106.41 1ocr h GLU 506 Ca -0.54 -0.02 -0.67 0.00 -0.13 0.00 0.00 59.36 58.00 1ocr h GLU 506 Cb 1.35 -0.04 -0.35 0.00 0.63 0.00 0.00 28.75 30.35 1ocr h GLU 506 CO 0.63 0.21 -0.86 -2.00 -0.73 0.00 0.00 179.01 176.26 1ocr s GLU 507 N -5.01 3.01 1.00 1.92 2.12 -1.26 -5.11 118.70 115.36 1ocr s GLU 507 Ca -0.06 -0.83 -0.14 0.00 0.36 0.00 0.00 54.97 54.30 1ocr s GLU 507 Cb 0.16 -2.55 0.08 0.00 0.26 0.00 0.00 34.13 32.08 1ocr s GLU 507 CO 0.71 -0.16 0.42 -2.30 -0.54 0.00 0.00 175.26 173.38 1ocr n PRO 508 N 4.50 -0.74 -1.38 4.30 -0.02 -1.25 -5.01 135.00 135.40 1ocr n PRO 508 Ca -0.21 -0.18 -0.29 0.00 -2.02 0.00 0.00 63.50 60.80 1ocr n PRO 508 Cb 0.50 -1.89 0.19 0.00 -0.02 0.00 0.00 33.50 32.28 1ocr n PRO 508 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ocr s THR 509 N -2.39 1.87 -0.19 3.45 -4.23 -1.26 -5.03 115.64 107.86 1ocr s THR 509 Ca 0.58 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.10 1ocr s THR 509 Cb -0.19 -2.66 0.03 0.00 1.34 0.00 0.00 72.50 71.02 1ocr s THR 509 CO 0.66 0.00 -0.15 -0.47 -0.54 0.00 0.00 174.62 174.12 1ocr s TYR 510 N -3.23 2.65 -0.13 3.99 6.14 -1.26 -5.05 117.35 120.46 1ocr s TYR 510 Ca 0.68 -1.66 -0.01 0.00 0.64 0.00 0.00 57.07 56.72 1ocr s TYR 510 Cb -0.12 -1.79 0.04 0.00 0.42 0.00 0.00 41.96 40.51 1ocr s TYR 510 CO 0.55 -0.78 -0.03 0.08 0.64 0.00 0.00 175.55 176.01 1ocr s VAL 511 N 1.32 0.79 0.50 3.14 1.01 -1.26 -5.13 120.40 120.78 1ocr s VAL 511 Ca 0.01 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.47 1ocr s VAL 511 Cb -0.15 -0.96 -0.06 0.00 0.00 0.00 0.00 36.38 35.20 1ocr s VAL 511 CO -0.10 0.18 1.17 0.20 0.00 0.00 0.00 175.10 176.56 1ocr s ASN 512 N 1.79 5.89 -1.08 3.32 0.02 -1.26 -4.59 114.94 119.03 1ocr s ASN 512 Ca 0.03 2.31 -0.10 0.00 -1.02 0.00 0.00 52.86 54.07 1ocr s ASN 512 Cb -0.14 -2.60 0.26 0.00 0.02 0.00 0.00 41.25 38.79 1ocr s ASN 512 CO -0.07 -1.11 1.10 -0.22 0.02 0.00 0.00 177.10 176.82 1ocr s LEU 513 N -3.38 6.24 0.00 0.60 2.96 -1.26 -4.96 118.68 118.89 1ocr s LEU 513 Ca 0.68 -3.38 0.05 0.00 -0.22 0.00 0.00 54.13 51.26 1ocr s LEU 513 Cb -0.28 -2.23 0.32 0.00 0.50 0.00 0.00 46.19 44.50 1ocr s LEU 513 CO 0.33 -0.39 0.79 0.29 -1.32 0.00 0.00 176.35 176.06