#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 0.97 0.04 2.03 3.57 -2.02 -1.86 116.94 119.66 1ocr h PHE 2 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ocr h PHE 2 Cb 0.00 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.47 1ocr h PHE 2 CO 0.00 0.02 -0.02 0.82 -2.23 0.00 0.00 178.31 176.90 1ocr h ILE 3 N 0.52 0.00 -1.16 1.41 1.08 -2.00 0.56 117.51 117.92 1ocr h ILE 3 Ca 0.66 -0.01 0.33 0.00 -0.39 0.00 0.00 64.86 65.45 1ocr h ILE 3 Cb 1.34 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 35.01 1ocr h ILE 3 CO -0.48 0.00 0.78 0.78 -0.69 0.00 0.00 178.15 178.54 1ocr h ASN 4 N -0.06 0.24 0.03 1.72 4.21 -1.90 0.32 115.58 120.13 1ocr h ASN 4 Ca -0.01 0.06 -0.20 0.00 1.21 0.00 0.00 56.30 57.36 1ocr h ASN 4 Cb 0.04 0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.24 1ocr h ASN 4 CO 0.01 0.01 -1.09 -0.09 -1.29 0.00 0.00 177.43 174.99 1ocr h ARG 5 N 0.19 0.05 0.00 0.81 2.43 -1.30 -3.27 114.38 113.30 1ocr h ARG 5 Ca 0.62 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 1ocr h ARG 5 Cb 2.00 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 1ocr h ARG 5 CO -0.20 1.04 -1.35 0.91 -1.51 0.00 0.00 179.97 178.87 1ocr n TRP 6 N -4.33 0.36 -0.01 2.20 7.02 0.20 -3.62 117.44 119.25 1ocr n TRP 6 Ca -0.27 0.11 0.03 0.00 -1.02 0.00 0.00 57.50 56.34 1ocr n TRP 6 Cb 0.70 -0.59 -0.08 0.00 -2.42 0.00 0.00 31.31 28.93 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 -2.24 0.00 -0.48 -0.99 4.77 0.11 -4.64 117.00 113.53 1ocr n LEU 7 Ca -0.01 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.04 1ocr n LEU 7 Cb 0.51 0.05 0.19 0.00 -2.33 0.00 0.00 43.42 41.84 1ocr n LEU 7 CO 0.42 0.05 0.51 0.49 -1.33 0.00 0.00 177.39 177.54 1ocr n PHE 8 N -1.96 0.21 -1.06 -1.77 3.72 -0.88 -5.02 117.46 110.70 1ocr n PHE 8 Ca -0.05 -1.26 -0.34 0.00 -0.05 0.00 0.00 57.45 55.76 1ocr n PHE 8 Cb 0.39 -0.24 0.12 0.00 -0.94 0.00 0.00 39.48 38.80 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 -1.20 0.03 -1.26 4.37 2.88 -1.23 -4.87 113.62 112.34 1ocr n SER 9 Ca 0.20 0.54 -0.01 0.00 -1.33 0.00 0.00 58.87 58.26 1ocr n SER 9 Cb 0.73 -1.40 -0.02 0.00 -0.75 0.00 0.00 64.21 62.77 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 -3.21 0.00 -4.25 2.46 -2.24 -1.26 -4.69 114.28 101.09 1ocr n THR 10 Ca 0.12 -0.53 -0.33 0.00 -2.27 0.00 0.00 64.05 61.04 1ocr n THR 10 Cb 0.51 0.76 -0.15 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.52 3.50 0.51 3.42 3.84 -1.26 -4.86 114.94 118.57 1ocr s ASN 11 Ca 0.18 -0.55 0.22 0.00 0.21 0.00 0.00 52.86 52.93 1ocr s ASN 11 Cb 0.21 -1.55 1.32 0.00 -0.55 0.00 0.00 41.25 40.68 1ocr s ASN 11 CO -0.09 0.03 2.01 1.12 -2.79 0.00 0.00 177.10 177.38 1ocr h HIS 12 N 7.73 0.08 0.16 0.43 2.07 -1.92 -0.70 115.15 123.00 1ocr h HIS 12 Ca -0.40 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.12 1ocr h HIS 12 Cb 1.16 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 31.12 1ocr h HIS 12 CO 0.50 0.03 -0.08 0.87 -3.07 0.00 0.00 177.93 176.19 1ocr h LYS 13 N 0.07 -0.20 -0.67 5.12 1.57 -1.91 -1.32 116.57 119.23 1ocr h LYS 13 Ca 0.23 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1ocr h LYS 13 Cb 0.84 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 1ocr h LYS 13 CO -0.02 0.23 0.44 -0.44 -0.57 0.00 0.00 179.45 179.09 1ocr h ASP 14 N -0.85 0.73 -0.40 0.86 3.32 -1.83 -0.35 116.42 117.89 1ocr h ASP 14 Ca -0.02 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 1ocr h ASP 14 Cb 0.53 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1ocr h ASP 14 CO 0.04 0.51 -0.21 0.40 -1.72 0.00 0.00 179.24 178.26 1ocr h ILE 15 N 0.85 1.28 -0.87 0.35 2.04 -1.17 -1.42 117.51 118.57 1ocr h ILE 15 Ca 0.26 -1.35 0.05 0.00 1.00 0.00 0.00 64.86 64.82 1ocr h ILE 15 Cb -0.01 1.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 1ocr h ILE 15 CO -0.07 0.45 0.55 1.23 0.00 0.00 0.00 178.15 180.32 1ocr h GLY 16 N 0.66 1.31 0.99 5.37 0.00 -0.04 -1.26 103.07 110.09 1ocr h GLY 16 Ca 0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 1ocr h GLY 16 CO 0.06 0.30 0.18 -0.84 0.00 0.00 0.00 176.54 176.24 1ocr h THR 17 N 1.02 1.23 -0.65 4.70 2.02 -0.84 -1.80 112.91 118.59 1ocr h THR 17 Ca 0.37 -0.77 0.04 0.00 0.77 0.00 0.00 66.41 66.82 1ocr h THR 17 Cb 0.13 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 1ocr h THR 17 CO -0.16 0.29 0.39 -0.07 0.37 0.00 0.00 175.52 176.34 1ocr h LEU 18 N 0.75 0.63 -0.49 2.58 4.07 -0.38 -1.39 115.31 121.09 1ocr h LEU 18 Ca 0.18 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.14 1ocr h LEU 18 Cb 0.26 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 1ocr h LEU 18 CO -0.01 0.43 0.28 1.88 -1.08 0.00 0.00 178.44 179.94 1ocr h TYR 19 N 0.76 0.65 -0.47 1.13 0.05 -0.90 -0.39 116.97 117.81 1ocr h TYR 19 Ca 0.27 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 59.01 1ocr h TYR 19 Cb 0.06 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 1ocr h TYR 19 CO -0.06 0.47 0.17 -0.07 -1.05 0.00 0.00 178.16 177.63 1ocr h LEU 20 N 0.64 0.61 -0.04 3.88 3.38 -0.66 0.50 115.31 123.63 1ocr h LEU 20 Ca 0.17 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1ocr h LEU 20 Cb 0.03 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1ocr h LEU 20 CO -0.03 0.57 -0.02 -0.07 0.09 0.00 0.00 178.44 178.98 1ocr h LEU 21 N 0.67 0.09 0.18 1.67 3.38 -0.82 -0.43 115.31 120.04 1ocr h LEU 21 Ca 0.16 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1ocr h LEU 21 Cb 0.16 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1ocr h LEU 21 CO -0.01 0.51 -0.16 0.15 0.09 0.00 0.00 178.44 179.01 1ocr h PHE 22 N -0.33 -0.42 -0.80 1.13 3.04 -0.86 -1.63 116.94 117.07 1ocr h PHE 22 Ca 0.01 0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.03 1ocr h PHE 22 Cb 0.48 0.16 -0.05 0.00 2.56 0.00 0.00 35.95 39.10 1ocr h PHE 22 CO 0.08 -0.25 0.52 0.78 -2.02 0.00 0.00 178.31 177.42 1ocr h GLY 23 N -0.37 1.09 0.86 2.40 0.00 -0.90 0.28 103.07 106.44 1ocr h GLY 23 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1ocr h GLY 23 CO -0.03 0.23 0.04 0.00 0.00 0.00 0.00 176.54 176.78 1ocr h ALA 24 N 1.58 0.13 0.33 3.60 0.00 -0.62 -1.84 119.26 122.44 1ocr h ALA 24 Ca 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ocr h ALA 24 Cb 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ocr h ALA 24 CO -0.13 -0.28 -0.22 2.35 0.00 0.00 0.00 179.25 180.98 1ocr h TRP 25 N 0.00 -0.57 -0.95 0.00 7.01 -0.50 -2.10 115.95 118.84 1ocr h TRP 25 Ca 0.03 -0.00 0.21 0.00 2.11 0.00 0.00 58.89 61.24 1ocr h TRP 25 Cb 0.17 0.20 -0.08 0.00 -2.10 0.00 0.00 29.16 27.36 1ocr h TRP 25 CO -0.02 -0.33 0.62 0.00 -2.79 0.00 0.00 178.44 175.92 1ocr h ALA 26 N 0.10 2.07 0.00 2.65 0.00 -0.94 0.22 119.26 123.36 1ocr h ALA 26 Ca -0.03 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ocr h ALA 26 Cb 0.45 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ocr h ALA 26 CO 0.03 -0.40 -0.15 0.78 0.00 0.00 0.00 179.25 179.51 1ocr h GLY 27 N 0.50 0.00 0.90 0.00 0.00 -0.63 0.92 103.07 104.76 1ocr h GLY 27 Ca 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.69 1ocr h GLY 27 CO -0.24 0.00 -0.53 -0.33 0.00 0.00 0.00 176.54 175.43 1ocr h MET 28 N 0.00 0.54 -0.44 4.80 2.07 -0.37 -0.69 114.93 120.84 1ocr h MET 28 Ca -0.00 -0.44 0.02 0.00 -2.07 0.00 0.00 59.70 57.21 1ocr h MET 28 Cb 0.36 0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 30.15 1ocr h MET 28 CO 0.02 1.07 0.25 0.28 1.07 0.00 0.00 176.91 179.60 1ocr h VAL 29 N 0.14 1.03 -0.40 -2.22 2.07 -1.03 0.39 116.25 116.23 1ocr h VAL 29 Ca -0.04 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 1ocr h VAL 29 Cb 1.18 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1ocr h VAL 29 CO 0.11 0.09 -0.07 1.23 0.02 0.00 0.00 177.57 178.95 1ocr h GLY 30 N 0.50 0.73 0.91 2.17 0.00 -0.85 -1.40 103.07 105.13 1ocr h GLY 30 Ca 0.18 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 1ocr h GLY 30 CO -0.09 0.46 -0.12 -0.84 0.00 0.00 0.00 176.54 175.95 1ocr h THR 31 N 0.62 1.29 -0.26 4.70 2.02 -0.36 -1.25 112.91 119.68 1ocr h THR 31 Ca 0.12 -1.21 0.04 0.00 0.77 0.00 0.00 66.41 66.14 1ocr h THR 31 Cb 0.49 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 1ocr h THR 31 CO 0.03 0.39 0.00 0.00 0.37 0.00 0.00 175.52 176.31 1ocr h ALA 32 N 0.77 0.23 -0.93 6.16 0.00 -0.61 -0.65 119.26 124.23 1ocr h ALA 32 Ca 0.07 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1ocr h ALA 32 Cb 0.64 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1ocr h ALA 32 CO 0.04 -0.41 0.61 -0.07 0.00 0.00 0.00 179.25 179.41 1ocr h LEU 33 N 0.08 0.97 -1.31 0.00 3.38 -1.16 -1.23 115.31 116.05 1ocr h LEU 33 Ca 0.12 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1ocr h LEU 33 Cb 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1ocr h LEU 33 CO -0.20 0.65 -0.34 0.77 0.09 0.00 0.00 178.44 179.40 1ocr h SER 34 N 1.12 0.00 0.08 -0.43 4.64 0.09 -2.51 113.55 116.54 1ocr h SER 34 Ca 0.38 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.49 1ocr h SER 34 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1ocr h SER 34 CO -0.13 0.34 -0.81 -0.07 -0.87 0.00 0.00 176.83 175.30 1ocr h LEU 35 N 0.00 0.72 -1.28 5.97 3.38 -0.25 -2.67 115.31 121.18 1ocr h LEU 35 Ca -0.00 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 1ocr h LEU 35 Cb 0.62 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1ocr h LEU 35 CO 0.04 1.27 0.12 -0.07 0.09 0.00 0.00 178.44 179.90 1ocr h LEU 36 N 0.39 0.56 0.56 1.67 3.38 -1.11 0.37 115.31 121.13 1ocr h LEU 36 Ca -0.06 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1ocr h LEU 36 Cb 1.42 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 42.03 1ocr h LEU 36 CO 0.15 0.55 -0.27 0.40 0.09 0.00 0.00 178.44 179.37 1ocr h ILE 37 N 0.61 0.44 0.00 1.22 2.04 -1.35 -1.59 117.51 118.87 1ocr h ILE 37 Ca 0.14 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 1ocr h ILE 37 Cb 0.20 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1ocr h ILE 37 CO -0.01 0.02 -0.24 0.03 0.00 0.00 0.00 178.15 177.95 1ocr h ARG 38 N -0.82 0.00 0.05 2.37 2.47 -1.11 -2.49 114.38 114.85 1ocr h ARG 38 Ca -0.08 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1ocr h ARG 38 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1ocr h ARG 38 CO 0.13 0.24 -0.02 0.00 0.56 0.00 0.00 179.97 180.87 1ocr h ALA 39 N 1.76 -0.06 -0.97 0.04 0.00 0.04 0.21 119.26 120.27 1ocr h ALA 39 Ca -0.00 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1ocr h ALA 39 Cb 0.51 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1ocr h ALA 39 CO 0.03 -0.45 0.63 1.49 0.00 0.00 0.00 179.25 180.95 1ocr h GLU 40 N -0.24 1.09 -0.03 0.00 4.57 -1.00 -2.35 114.58 116.62 1ocr h GLU 40 Ca -0.01 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1ocr h GLU 40 Cb 0.21 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1ocr h GLU 40 CO 0.01 0.72 0.00 1.28 -1.18 0.00 0.00 179.01 179.84 1ocr n LEU 41 N -4.50 1.70 0.00 1.64 4.77 -0.96 -4.24 117.00 115.41 1ocr n LEU 41 Ca 0.15 -0.58 0.12 0.00 -0.03 0.00 0.00 56.01 55.67 1ocr n LEU 41 Cb 0.20 -0.01 0.61 0.00 -2.33 0.00 0.00 43.42 41.89 1ocr n LEU 41 CO 0.32 0.29 0.89 0.61 -1.33 0.00 0.00 177.39 178.17 1ocr n GLY 42 N 1.20 -1.02 3.61 -0.72 0.00 0.69 -4.53 105.19 104.42 1ocr n GLY 42 Ca 0.18 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.49 0.79 0.58 1.61 0.74 -1.26 -4.58 119.66 115.06 1ocr s GLN 43 Ca 0.24 1.03 -0.19 0.00 0.05 0.00 0.00 55.36 56.49 1ocr s GLN 43 Cb 0.16 0.34 -0.05 0.00 1.10 0.00 0.00 33.01 34.56 1ocr s GLN 43 CO 0.35 -0.11 1.01 -2.30 -0.55 0.00 0.00 175.29 173.69 1ocr n PRO 44 N 3.06 1.00 0.00 1.67 -0.02 -1.26 -4.70 135.00 134.75 1ocr n PRO 44 Ca -0.15 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1ocr n PRO 44 Cb 0.56 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.22 -0.93 3.30 -1.23 0.00 -1.26 -5.01 105.19 101.28 1ocr n GLY 45 Ca 0.13 -2.15 -0.28 0.00 0.00 0.00 0.00 46.02 43.72 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 0.00 1.92 -0.12 2.61 -4.23 -1.26 -4.69 115.64 109.86 1ocr s THR 46 Ca 0.00 -1.24 -0.08 0.00 -1.18 0.00 0.00 61.69 59.19 1ocr s THR 46 Cb 0.00 -1.63 -0.06 0.00 1.34 0.00 0.00 72.50 72.15 1ocr s THR 46 CO 0.00 0.35 -0.19 -0.11 -0.54 0.00 0.00 174.62 174.13 1ocr n LEU 47 N 1.97 1.16 0.30 4.79 7.94 -1.26 -4.66 117.00 127.24 1ocr n LEU 47 Ca -0.17 0.19 0.20 0.00 -1.11 0.00 0.00 56.01 55.12 1ocr n LEU 47 Cb 0.52 -0.46 0.93 0.00 0.53 0.00 0.00 43.42 44.94 1ocr n LEU 47 CO 0.23 0.11 1.08 -0.07 -1.11 0.00 0.00 177.39 177.63 1ocr h LEU 48 N -0.53 0.00 0.00 -1.96 3.38 -1.96 -3.47 115.31 110.76 1ocr h LEU 48 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1ocr h LEU 48 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1ocr h LEU 48 CO -0.17 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.97 1ocr n GLY 49 N -0.50 1.96 3.63 0.83 0.00 -1.26 -4.94 105.19 104.91 1ocr n GLY 49 Ca -0.01 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.71 5.50 0.05 1.61 -4.77 -1.26 -4.98 116.67 110.10 1ocr s ASP 50 Ca 0.00 0.07 0.11 0.00 -3.30 0.00 0.00 52.55 49.43 1ocr s ASP 50 Cb 0.00 -1.90 0.48 0.00 -1.09 0.00 0.00 42.92 40.41 1ocr s ASP 50 CO 0.00 0.20 1.34 0.47 0.70 0.00 0.00 175.17 177.88 1ocr n ASP 51 N 3.33 0.10 0.03 2.11 8.00 -1.26 -1.36 116.55 127.51 1ocr n ASP 51 Ca -0.17 0.53 -0.14 0.00 0.71 0.00 0.00 54.79 55.72 1ocr n ASP 51 Cb 0.52 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 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 0.56 -0.41 -1.24 5.75 -1.97 -1.93 115.11 115.86 1ocr h GLN 52 Ca 0.00 -0.50 -0.04 0.00 -0.15 0.00 0.00 58.65 57.96 1ocr h GLN 52 Cb 0.16 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 1ocr h GLN 52 CO 0.00 1.13 0.10 0.82 -2.65 0.00 0.00 178.83 178.23 1ocr h ILE 53 N 0.36 1.18 0.46 2.39 1.08 -1.55 0.69 117.51 122.12 1ocr h ILE 53 Ca -0.06 -0.65 -0.02 0.00 -0.39 0.00 0.00 64.86 63.73 1ocr h ILE 53 Cb 1.44 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 35.96 1ocr h ILE 53 CO 0.15 0.24 -0.22 0.22 -0.69 0.00 0.00 178.15 177.85 1ocr h TYR 54 N 0.60 -0.57 -0.96 1.37 3.20 -1.48 -1.22 116.97 117.91 1ocr h TYR 54 Ca 0.14 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.12 1ocr h TYR 54 Cb 0.22 0.19 -0.08 0.00 1.54 0.00 0.00 36.73 38.60 1ocr h TYR 54 CO 0.01 -0.30 0.61 -0.91 -1.64 0.00 0.00 178.16 175.93 1ocr h ASN 55 N -0.72 0.84 -0.82 -2.11 2.35 -0.72 0.24 115.58 114.64 1ocr h ASN 55 Ca -0.06 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1ocr h ASN 55 Cb 0.52 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 1ocr h ASN 55 CO 0.10 0.45 0.37 0.58 -1.65 0.00 0.00 177.43 177.28 1ocr h VAL 56 N 0.90 1.26 -0.23 2.81 2.07 -0.65 -1.68 116.25 120.72 1ocr h VAL 56 Ca 0.47 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 1ocr h VAL 56 Cb 0.54 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1ocr h VAL 56 CO -0.24 0.32 -0.08 0.58 0.02 0.00 0.00 177.57 178.17 1ocr h VAL 57 N 1.17 1.29 -0.93 2.57 2.07 0.58 -1.78 116.25 121.22 1ocr h VAL 57 Ca 0.28 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.70 1ocr h VAL 57 Cb 0.15 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1ocr h VAL 57 CO -0.03 0.35 0.61 0.58 0.02 0.00 0.00 177.57 179.10 1ocr h VAL 58 N 0.18 1.20 0.39 2.57 2.07 -0.53 -0.29 116.25 121.85 1ocr h VAL 58 Ca 0.05 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1ocr h VAL 58 Cb 0.56 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1ocr h VAL 58 CO 0.03 0.22 -0.19 0.74 0.02 0.00 0.00 177.57 178.39 1ocr h THR 59 N 1.22 0.58 -0.92 2.57 2.02 -1.17 -2.83 112.91 114.38 1ocr h THR 59 Ca 0.35 -0.43 0.09 0.00 0.77 0.00 0.00 66.41 67.19 1ocr h THR 59 Cb -0.08 0.78 -0.07 0.00 -1.74 0.00 0.00 68.15 67.05 1ocr h THR 59 CO -0.09 0.08 0.59 0.00 0.37 0.00 0.00 175.52 176.47 1ocr h ALA 60 N -0.30 1.57 -0.14 6.16 0.00 -1.09 -1.09 119.26 124.38 1ocr h ALA 60 Ca -0.05 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1ocr h ALA 60 Cb 0.53 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1ocr h ALA 60 CO 0.09 0.25 -0.15 1.25 0.00 0.00 0.00 179.25 180.69 1ocr h HIS 61 N 0.96 -0.37 -0.34 0.00 6.17 -0.93 -1.52 115.15 119.11 1ocr h HIS 61 Ca 0.42 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.54 1ocr h HIS 61 Cb 0.35 0.19 -0.02 0.00 2.52 0.00 0.00 27.41 30.45 1ocr h HIS 61 CO -0.00 -0.21 0.20 0.00 0.71 0.00 0.00 177.93 178.63 1ocr h ALA 62 N 0.90 0.43 -0.52 5.26 0.00 -0.96 -2.43 119.26 121.94 1ocr h ALA 62 Ca 0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1ocr h ALA 62 Cb 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1ocr h ALA 62 CO -0.24 -0.15 -0.01 0.74 0.00 0.00 0.00 179.25 179.58 1ocr h PHE 63 N 0.41 0.95 0.15 0.00 0.04 -1.18 -1.91 116.94 115.41 1ocr h PHE 63 Ca 0.14 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1ocr h PHE 63 Cb 0.00 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 37.90 1ocr h PHE 63 CO -0.07 0.87 -0.07 0.28 -0.60 0.00 0.00 178.31 178.71 1ocr h VAL 64 N 0.82 0.98 -0.58 -0.55 2.07 -1.16 0.31 116.25 118.13 1ocr h VAL 64 Ca 0.15 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1ocr h VAL 64 Cb 0.50 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1ocr h VAL 64 CO 0.03 0.17 0.34 0.24 0.02 0.00 0.00 177.57 178.36 1ocr h MET 65 N -0.56 0.80 0.23 1.57 2.86 -1.43 0.55 114.93 118.95 1ocr h MET 65 Ca -0.02 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1ocr h MET 65 Cb 0.43 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1ocr h MET 65 CO 0.03 0.59 -0.11 0.82 1.06 0.00 0.00 176.91 179.30 1ocr h ILE 66 N 0.79 0.00 0.00 -1.22 2.04 -1.35 0.01 117.51 117.78 1ocr h ILE 66 Ca 0.21 -0.73 -0.20 0.00 1.00 0.00 0.00 64.86 65.14 1ocr h ILE 66 Cb 0.00 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 1ocr h ILE 66 CO -0.04 0.00 -0.94 -0.26 0.00 0.00 0.00 178.15 176.92 1ocr h PHE 67 N -1.04 0.00 -0.00 1.37 -1.00 -1.03 -3.03 116.94 112.20 1ocr h PHE 67 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1ocr h PHE 67 Cb 0.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.79 1ocr h PHE 67 CO 0.00 0.93 -0.48 1.19 -1.61 0.00 0.00 178.31 178.34 1ocr n PHE 68 N -3.33 0.00 0.01 -0.55 3.72 0.03 -4.38 117.46 112.97 1ocr n PHE 68 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1ocr n PHE 68 Cb 0.91 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.45 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 -0.84 0.03 0.18 -1.08 1.56 -0.32 -4.29 117.12 112.35 1ocr n MET 69 Ca 0.04 0.01 -0.14 0.00 -0.27 0.00 0.00 57.70 57.33 1ocr n MET 69 Cb 0.24 -0.27 -0.08 0.00 2.15 0.00 0.00 33.22 35.27 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 -0.05 0.73 -0.37 1.12 2.07 -1.09 -2.58 116.25 116.08 1ocr h VAL 70 Ca 0.00 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1ocr h VAL 70 Cb 0.05 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1ocr h VAL 70 CO 0.00 0.02 0.12 0.24 0.02 0.00 0.00 177.57 177.97 1ocr h MET 71 N -0.42 0.57 -0.65 1.57 2.07 -1.77 -0.98 114.93 115.32 1ocr h MET 71 Ca -0.04 -0.12 -0.04 0.00 -2.07 0.00 0.00 59.70 57.43 1ocr h MET 71 Cb 0.32 -0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 29.94 1ocr h MET 71 CO 0.06 0.58 0.26 -1.35 1.07 0.00 0.00 176.91 177.53 1ocr h PRO 72 N 0.44 0.98 0.49 -0.22 0.11 -1.76 -0.96 132.00 131.08 1ocr h PRO 72 Ca 0.12 -0.18 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1ocr h PRO 72 Cb 0.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1ocr h PRO 72 CO -0.00 0.82 -0.23 0.82 -0.21 0.00 0.00 178.00 179.19 1ocr h ILE 73 N 0.92 0.43 0.23 4.15 2.04 -1.37 1.04 117.51 124.95 1ocr h ILE 73 Ca 0.22 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1ocr h ILE 73 Cb 0.21 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1ocr h ILE 73 CO -0.02 0.06 -0.11 0.24 0.00 0.00 0.00 178.15 178.32 1ocr h MET 74 N -0.91 -0.30 0.00 2.37 2.86 -1.22 0.00 114.93 117.73 1ocr h MET 74 Ca -0.07 0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1ocr h MET 74 Cb 0.59 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1ocr h MET 74 CO 0.11 -0.03 -0.58 0.82 1.06 0.00 0.00 176.91 178.29 1ocr h ILE 75 N -0.55 0.60 -0.43 -1.22 2.04 -1.31 -2.72 117.51 113.92 1ocr h ILE 75 Ca -0.03 -1.61 -0.12 0.00 1.00 0.00 0.00 64.86 64.10 1ocr h ILE 75 Cb 0.41 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1ocr h ILE 75 CO 0.05 0.20 -0.20 1.23 0.00 0.00 0.00 178.15 179.44 1ocr h GLY 76 N -1.00 0.92 0.00 5.37 0.00 -0.92 -1.95 103.07 105.49 1ocr h GLY 76 Ca -0.12 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.44 1ocr h GLY 76 CO -0.07 0.71 0.00 0.61 0.00 0.00 0.00 176.54 177.79 1ocr n GLY 77 N -0.24 1.08 0.27 4.60 0.00 0.35 -3.18 105.19 108.07 1ocr n GLY 77 Ca 0.00 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 0.55 1.61 0.04 -1.06 -2.21 116.94 115.86 1ocr h PHE 78 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1ocr h PHE 78 Cb 0.00 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.16 1ocr h PHE 78 CO 0.00 0.02 -0.26 0.78 -0.60 0.00 0.00 178.31 178.25 1ocr h GLY 79 N 0.07 -0.77 1.01 -1.45 0.00 -1.01 -1.92 103.07 99.00 1ocr h GLY 79 Ca -0.00 0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.56 1ocr h GLY 79 CO 0.00 -0.28 0.15 3.43 0.00 0.00 0.00 176.54 179.84 1ocr h ASN 80 N -0.93 0.87 0.22 0.19 2.35 -1.49 -1.16 115.58 115.64 1ocr h ASN 80 Ca -0.08 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 1ocr h ASN 80 Cb 0.63 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1ocr h ASN 80 CO 0.12 0.87 -0.10 -0.50 -1.65 0.00 0.00 177.43 176.17 1ocr h TRP 81 N 0.83 -0.27 0.14 1.19 4.06 -1.45 -3.38 115.95 117.06 1ocr h TRP 81 Ca 0.18 -0.01 -0.33 0.00 2.06 0.00 0.00 58.89 60.79 1ocr h TRP 81 Cb 0.33 0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.58 1ocr h TRP 81 CO 0.02 -0.08 -1.70 -0.07 -3.56 0.00 0.00 178.44 173.05 1ocr h LEU 82 N -0.41 0.45 -0.18 -4.49 3.38 -1.38 -3.38 115.31 109.31 1ocr h LEU 82 Ca -0.03 -0.72 0.05 0.00 0.09 0.00 0.00 57.88 57.27 1ocr h LEU 82 Cb 0.31 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1ocr h LEU 82 CO 0.05 1.61 -0.39 0.58 0.09 0.00 0.00 178.44 180.38 1ocr h VAL 83 N 0.08 0.18 -0.67 1.22 2.07 -1.37 0.11 116.25 117.87 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 2.05 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1ocr h VAL 83 CO 0.15 0.00 0.30 -0.65 0.02 0.00 0.00 177.57 177.39 1ocr h PRO 84 N -0.43 0.96 -0.24 1.57 0.11 -1.79 -2.34 132.00 129.84 1ocr h PRO 84 Ca 0.09 -0.14 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 1ocr h PRO 84 Cb 0.60 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1ocr h PRO 84 CO -0.42 0.76 -0.14 -0.07 -0.21 0.00 0.00 178.00 177.92 1ocr h LEU 85 N 0.95 0.38 -0.19 2.35 3.38 -1.54 -0.38 115.31 120.25 1ocr h LEU 85 Ca 0.23 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ocr h LEU 85 Cb 0.14 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1ocr h LEU 85 CO -0.03 0.55 0.00 0.24 0.09 0.00 0.00 178.44 179.30 1ocr h MET 86 N 0.37 0.00 -0.14 1.13 2.86 -0.27 -3.26 114.93 115.63 1ocr h MET 86 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1ocr h MET 86 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1ocr h MET 86 CO 0.03 0.00 0.00 0.44 1.06 0.00 0.00 176.91 178.44 1ocr n ILE 87 N -2.89 1.32 -3.11 -1.22 -5.35 -1.03 -4.78 119.36 102.31 1ocr n ILE 87 Ca 0.04 -1.33 -0.18 0.00 -0.27 0.00 0.00 62.75 61.01 1ocr n ILE 87 Cb 0.47 0.28 0.05 0.00 -1.74 0.00 0.00 39.64 38.69 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 -0.36 -0.21 3.90 3.28 0.00 -0.46 -4.14 105.19 107.19 1ocr n GLY 88 Ca 0.09 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.15 3.94 0.35 4.61 0.00 -0.28 -4.62 121.76 122.61 1ocr s ALA 89 Ca 0.35 -0.83 0.12 0.00 0.00 0.00 0.00 51.96 51.60 1ocr s ALA 89 Cb -0.15 -1.80 0.64 0.00 0.00 0.00 0.00 23.12 21.80 1ocr s ALA 89 CO 0.43 0.79 1.78 -1.00 0.00 0.00 0.00 175.76 177.76 1ocr h PRO 90 N 3.38 0.00 0.00 0.00 0.13 -1.79 -3.41 132.00 130.30 1ocr h PRO 90 Ca -0.47 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1ocr h PRO 90 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ocr h PRO 90 CO 0.72 0.43 0.05 -3.47 -0.23 0.00 0.00 178.00 175.50 1ocr n ASP 91 N -4.03 -0.07 -4.81 1.44 -0.08 -1.26 -4.60 116.55 103.13 1ocr n ASP 91 Ca -0.02 -1.01 -0.29 0.00 -1.51 0.00 0.00 54.79 51.96 1ocr n ASP 91 Cb 0.45 0.10 0.11 0.00 2.34 0.00 0.00 41.12 44.13 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 -2.00 1.54 0.19 -0.67 -1.94 -1.26 -4.91 119.30 110.25 1ocr s MET 92 Ca 0.02 0.16 -0.08 0.00 -1.71 0.00 0.00 55.69 54.08 1ocr s MET 92 Cb -0.00 -1.90 0.11 0.00 2.01 0.00 0.00 34.83 35.05 1ocr s MET 92 CO -0.00 -1.90 1.63 0.00 -0.01 0.00 0.00 175.02 174.74 1ocr h ALA 93 N -1.28 0.84 -2.82 3.03 0.00 -1.93 -3.34 119.26 113.77 1ocr h ALA 93 Ca -0.48 -0.34 -0.61 0.00 0.00 0.00 0.00 54.91 53.49 1ocr h ALA 93 Cb 1.33 -0.20 -0.41 0.00 0.00 0.00 0.00 17.79 18.51 1ocr h ALA 93 CO 0.63 0.66 -0.70 1.19 0.00 0.00 0.00 179.25 181.02 1ocr n PHE 94 N -4.15 1.93 0.27 0.00 3.72 -1.26 -4.97 117.46 113.00 1ocr n PHE 94 Ca 0.02 -3.99 0.12 0.00 -0.05 0.00 0.00 57.45 53.55 1ocr n PHE 94 Cb 0.38 -0.35 0.77 0.00 -0.94 0.00 0.00 39.48 39.35 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 5.39 0.00 0.04 -1.08 0.13 -1.89 -1.23 132.00 133.36 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 0.61 0.06 -0.44 -0.09 -0.23 0.00 0.00 178.00 177.90 1ocr h ARG 96 N 0.00 0.22 -0.39 0.86 2.43 -1.89 -3.08 114.38 112.54 1ocr h ARG 96 Ca -0.00 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 58.86 1ocr h ARG 96 Cb 0.13 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1ocr h ARG 96 CO 0.01 1.07 0.18 1.98 -1.51 0.00 0.00 179.97 181.69 1ocr h MET 97 N -0.47 0.53 -0.94 0.20 4.05 -1.91 -1.12 114.93 115.27 1ocr h MET 97 Ca -0.07 -0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.35 1ocr h MET 97 Cb 1.26 -0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 31.89 1ocr h MET 97 CO 0.09 0.43 0.61 -0.97 0.23 0.00 0.00 176.91 177.29 1ocr h ASN 98 N 0.54 0.96 -0.09 1.39 -1.24 -1.22 -0.37 115.58 115.55 1ocr h ASN 98 Ca 0.14 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.11 1ocr h ASN 98 Cb 0.07 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.91 1ocr h ASN 98 CO -0.02 0.62 -0.06 -1.13 -1.29 0.00 0.00 177.43 175.55 1ocr h ASN 99 N 1.10 0.33 0.01 1.15 -1.24 -1.11 -2.50 115.58 113.31 1ocr h ASN 99 Ca 0.40 -0.06 -0.14 0.00 0.71 0.00 0.00 56.30 57.21 1ocr h ASN 99 Cb 0.16 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 1ocr h ASN 99 CO -0.15 0.44 -0.45 -0.03 -1.29 0.00 0.00 177.43 175.95 1ocr h MET 100 N 0.34 0.53 -0.97 6.67 4.05 -1.01 -1.53 114.93 123.00 1ocr h MET 100 Ca 0.07 -0.29 0.09 0.00 -0.28 0.00 0.00 59.70 59.30 1ocr h MET 100 Cb 0.33 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.07 1ocr h MET 100 CO 0.01 0.87 0.61 0.77 0.23 0.00 0.00 176.91 179.41 1ocr h SER 101 N 0.43 0.93 0.16 1.39 0.02 -0.99 -1.31 113.55 114.18 1ocr h SER 101 Ca 0.03 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1ocr h SER 101 Cb 0.95 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1ocr h SER 101 CO 0.08 0.55 -0.08 0.15 -1.14 0.00 0.00 176.83 176.40 1ocr h PHE 102 N 1.04 -0.20 0.00 3.45 3.57 -1.33 -3.29 116.94 120.18 1ocr h PHE 102 Ca 0.45 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.95 1ocr h PHE 102 Cb 0.33 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1ocr h PHE 102 CO -0.01 0.24 0.00 0.91 -2.23 0.00 0.00 178.31 177.22 1ocr n TRP 103 N -4.95 0.00 0.22 0.41 7.02 -0.61 -0.98 117.44 118.55 1ocr n TRP 103 Ca -0.08 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.52 1ocr n TRP 103 Cb 0.27 -0.45 0.15 0.00 -2.42 0.00 0.00 31.31 28.86 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 -0.07 -0.99 3.38 -1.32 -3.37 115.31 112.94 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 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1ocr h LEU 104 CO 0.00 0.00 -0.04 -0.07 0.09 0.00 0.00 178.44 178.42 1ocr h LEU 105 N 0.00 0.16 -0.41 1.67 4.07 -1.20 -1.90 115.31 117.70 1ocr h LEU 105 Ca 0.00 -0.43 0.01 0.00 0.08 0.00 0.00 57.88 57.54 1ocr h LEU 105 Cb 0.99 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.66 1ocr h LEU 105 CO 0.00 0.55 0.27 -0.65 -1.08 0.00 0.00 178.44 177.53 1ocr h PRO 106 N -0.23 0.53 -0.32 1.13 0.11 -1.72 -0.20 132.00 131.30 1ocr h PRO 106 Ca 0.02 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.12 1ocr h PRO 106 Cb 0.49 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 1ocr h PRO 106 CO 0.01 0.35 0.14 -1.35 -0.21 0.00 0.00 178.00 176.94 1ocr h PRO 107 N 0.54 0.29 -0.96 1.05 0.11 -1.73 -0.87 132.00 130.43 1ocr h PRO 107 Ca 0.15 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.37 1ocr h PRO 107 Cb -0.05 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 30.91 1ocr h PRO 107 CO -0.04 0.19 0.59 1.03 -0.21 0.00 0.00 178.00 179.55 1ocr h SER 108 N 0.30 0.83 -0.33 -2.05 0.87 -1.01 -1.02 113.55 111.14 1ocr h SER 108 Ca 0.14 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1ocr h SER 108 Cb 0.07 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1ocr h SER 108 CO -0.11 0.42 -0.04 0.15 -0.53 0.00 0.00 176.83 176.73 1ocr h PHE 109 N 0.90 0.68 -0.24 2.24 3.04 -0.32 -2.59 116.94 120.65 1ocr h PHE 109 Ca 0.49 -0.13 0.06 0.00 3.98 0.00 0.00 57.97 62.37 1ocr h PHE 109 Cb 0.53 -0.17 -0.07 0.00 2.56 0.00 0.00 35.95 38.80 1ocr h PHE 109 CO -0.02 0.76 -0.20 1.25 -2.02 0.00 0.00 178.31 178.07 1ocr h LEU 110 N 0.41 -0.65 -1.25 0.59 5.85 0.04 0.14 115.31 120.44 1ocr h LEU 110 Ca 0.09 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.99 1ocr h LEU 110 Cb 0.51 0.32 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 1ocr h LEU 110 CO 0.02 -0.24 0.53 -0.07 -0.34 0.00 0.00 178.44 178.35 1ocr h LEU 111 N -0.20 0.80 -0.43 2.25 3.38 -1.16 0.38 115.31 120.34 1ocr h LEU 111 Ca 0.14 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1ocr h LEU 111 Cb 0.41 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1ocr h LEU 111 CO -0.36 0.53 -0.11 0.25 0.09 0.00 0.00 178.44 178.83 1ocr h LEU 112 N 0.92 0.84 -0.95 1.67 5.85 -0.82 -1.79 115.31 121.02 1ocr h LEU 112 Ca 0.35 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1ocr h LEU 112 Cb 0.19 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1ocr h LEU 112 CO -0.12 1.01 0.03 -0.07 -0.34 0.00 0.00 178.44 178.95 1ocr h LEU 113 N 0.66 0.76 -1.04 2.25 3.38 1.00 -2.68 115.31 119.63 1ocr h LEU 113 Ca 0.11 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1ocr h LEU 113 Cb 0.65 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1ocr h LEU 113 CO 0.04 0.81 0.18 0.00 0.09 0.00 0.00 178.44 179.56 1ocr h ALA 114 N 1.28 1.23 -0.19 1.53 0.00 -0.12 -2.61 119.26 120.38 1ocr h ALA 114 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ocr h ALA 114 Cb 0.41 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1ocr h ALA 114 CO 0.01 0.54 0.01 0.66 0.00 0.00 0.00 179.25 180.48 1ocr h SER 115 N 0.85 0.24 0.30 0.00 4.64 -0.97 -1.19 113.55 117.42 1ocr h SER 115 Ca 0.19 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1ocr h SER 115 Cb 0.24 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1ocr h SER 115 CO -0.01 0.28 -0.11 -1.54 -0.87 0.00 0.00 176.83 174.58 1ocr n SER 116 N -4.39 0.57 -0.09 4.97 3.41 -0.99 -3.65 113.62 113.46 1ocr n SER 116 Ca -0.00 -0.70 -0.09 0.00 -0.26 0.00 0.00 58.87 57.81 1ocr n SER 116 Cb 0.17 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.84 1.15 -2.84 4.33 2.81 -0.51 -4.46 117.12 116.77 1ocr n MET 117 Ca 0.15 0.01 -0.31 0.00 -1.81 0.00 0.00 57.70 55.75 1ocr n MET 117 Cb 0.28 -1.43 -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 -2.41 4.76 0.00 2.03 -7.23 -0.85 -4.89 120.40 111.81 1ocr s VAL 118 Ca -0.12 0.68 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 1ocr s VAL 118 Cb 0.05 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 33.27 1ocr s VAL 118 CO 0.65 -0.51 0.00 -0.62 -0.31 0.00 0.00 175.10 174.31 1ocr n GLU 119 N -1.26 0.00 -0.48 4.82 -0.58 -1.26 -2.01 120.64 119.87 1ocr n GLU 119 Ca 0.03 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.85 1ocr n GLU 119 Cb 0.54 0.00 0.27 0.00 -0.57 0.00 0.00 31.44 31.68 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 7.72 3.01 -0.73 0.62 0.00 -1.26 -5.08 120.51 124.78 1ocr n ALA 120 Ca 0.00 -2.02 0.09 0.00 0.00 0.00 0.00 53.44 51.52 1ocr n ALA 120 Cb 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.05 -2.04 3.23 0.00 0.00 -0.85 -4.65 105.19 100.83 1ocr n GLY 121 Ca 0.21 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.62 3.80 -1.18 4.61 0.00 -1.26 -4.82 121.76 121.29 1ocr s ALA 122 Ca 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 51.96 48.75 1ocr s ALA 122 Cb 0.00 -3.13 0.23 0.00 0.00 0.00 0.00 23.12 20.22 1ocr s ALA 122 CO 0.00 -2.16 1.96 0.41 0.00 0.00 0.00 175.76 175.97 1ocr n GLY 123 N 3.99 5.44 0.00 0.00 0.00 -1.26 -4.47 105.19 108.89 1ocr n GLY 123 Ca 0.07 -2.34 0.07 0.00 0.00 0.00 0.00 46.02 43.82 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 -4.78 114.28 109.95 1ocr n THR 124 Ca 0.47 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 1ocr n THR 124 Cb 0.28 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 1.36 0.19 0.05 3.38 0.00 -1.26 -3.94 105.19 104.98 1ocr n GLY 125 Ca 0.02 -1.65 0.09 0.00 0.00 0.00 0.00 46.02 44.48 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 0.43 0.33 0.72 1.61 4.27 -1.26 -1.28 117.44 122.26 1ocr n TRP 126 Ca 0.00 0.13 0.13 0.00 -3.89 0.00 0.00 57.50 53.87 1ocr n TRP 126 Cb 0.00 -0.71 0.45 0.00 -1.36 0.00 0.00 31.31 29.69 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 -1.80 0.43 -3.86 -1.67 -2.24 -1.26 -4.94 114.28 98.94 1ocr n THR 127 Ca 0.03 -0.21 -0.24 0.00 -2.27 0.00 0.00 64.05 61.36 1ocr n THR 127 Cb 0.19 -0.54 -0.07 0.00 -2.10 0.00 0.00 70.33 67.81 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 -0.78 -2.36 2.28 3.14 -0.41 -4.88 118.33 113.26 1ocr n VAL 128 Ca 0.06 -0.38 -0.38 0.00 -2.96 0.00 0.00 64.34 60.68 1ocr n VAL 128 Cb 0.41 -0.77 -0.03 0.00 -1.06 0.00 0.00 33.84 32.39 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 -4.03 3.14 0.35 1.45 2.02 -1.26 -4.73 117.35 114.28 1ocr s TYR 129 Ca 0.01 1.58 -0.01 0.00 -0.37 0.00 0.00 57.07 58.29 1ocr s TYR 129 Cb -0.01 -3.32 -0.04 0.00 -0.40 0.00 0.00 41.96 38.20 1ocr s TYR 129 CO 0.75 -1.11 0.57 -1.25 -1.57 0.00 0.00 175.55 172.93 1ocr s PRO 130 N -2.32 3.51 0.47 -1.71 0.04 -1.26 -1.55 135.00 132.19 1ocr s PRO 130 Ca 0.57 -0.23 0.27 0.00 0.04 0.00 0.00 61.00 61.65 1ocr s PRO 130 Cb -0.28 -2.64 0.90 0.00 0.04 0.00 0.00 34.50 32.52 1ocr s PRO 130 CO 0.36 0.13 1.81 -1.35 0.04 0.00 0.00 177.00 177.99 1ocr h PRO 131 N 0.87 0.00 -0.95 0.56 0.11 -1.94 -3.45 132.00 127.20 1ocr h PRO 131 Ca -0.49 0.00 0.25 0.00 0.11 0.00 0.00 66.00 65.87 1ocr h PRO 131 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1ocr h PRO 131 CO 0.62 0.10 0.65 1.25 -0.21 0.00 0.00 178.00 180.41 1ocr h LEU 132 N 0.00 0.24 -0.99 2.35 5.85 -1.96 0.60 115.31 121.40 1ocr h LEU 132 Ca -0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1ocr h LEU 132 Cb 0.76 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1ocr h LEU 132 CO 0.01 0.08 -0.10 0.00 -0.34 0.00 0.00 178.44 178.09 1ocr n ALA 133 N -2.60 2.75 -1.04 1.25 0.00 -0.60 -3.65 120.51 116.62 1ocr n ALA 133 Ca 0.21 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.87 1ocr n ALA 133 Cb 0.87 -1.08 0.21 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.16 1.56 0.00 0.00 0.00 0.21 -4.75 107.32 102.18 1ocr s GLY 134 Ca 0.32 -0.58 0.18 0.00 0.00 0.00 0.00 44.72 44.64 1ocr s GLY 134 CO 0.39 0.16 1.51 1.16 0.00 0.00 0.00 173.10 176.32 1ocr n ASN 135 N -4.54 0.00 -0.07 1.64 0.23 -1.26 -1.67 115.26 109.59 1ocr n ASN 135 Ca 0.08 -0.47 -0.06 0.00 -0.53 0.00 0.00 54.58 53.60 1ocr n ASN 135 Cb 0.58 -0.05 -0.02 0.00 -2.08 0.00 0.00 39.78 38.21 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 -1.05 1.62 0.26 -4.53 -0.00 -1.26 -3.62 117.00 108.42 1ocr n LEU 136 Ca 0.13 0.40 0.16 0.00 -0.00 0.00 0.00 56.01 56.70 1ocr n LEU 136 Cb 0.08 -0.75 0.57 0.00 -0.00 0.00 0.00 43.42 43.31 1ocr n LEU 136 CO 0.11 -0.37 0.95 0.00 -0.00 0.00 0.00 177.39 178.08 1ocr h ALA 137 N -1.14 1.00 -2.07 1.96 0.00 -1.76 -3.32 119.26 113.92 1ocr h ALA 137 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1ocr h ALA 137 Cb 0.69 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.09 1ocr h ALA 137 CO 0.00 0.00 -1.04 0.72 0.00 0.00 0.00 179.25 178.93 1ocr n HIS 138 N -3.09 -0.01 -2.15 0.00 8.25 -0.67 -4.96 115.22 112.59 1ocr n HIS 138 Ca 0.01 -3.60 -0.33 0.00 -0.26 0.00 0.00 57.72 53.55 1ocr n HIS 138 Cb 0.36 -0.30 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 -1.17 2.83 0.00 -1.41 0.00 -1.24 -4.42 121.76 116.35 1ocr s ALA 139 Ca 0.35 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1ocr s ALA 139 Cb 0.15 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1ocr s ALA 139 CO -0.11 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.41 1ocr n GLY 140 N -1.14 1.72 0.27 0.00 0.00 -1.26 -4.77 105.19 100.00 1ocr n GLY 140 Ca 0.08 -2.07 0.17 0.00 0.00 0.00 0.00 46.02 44.21 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 1.00 -0.29 4.61 0.00 -1.94 -3.38 119.26 119.26 1ocr h ALA 141 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1ocr h ALA 141 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1ocr h ALA 141 CO 0.00 0.00 -0.55 0.77 0.00 0.00 0.00 179.25 179.47 1ocr h SER 142 N 0.00 -1.79 -0.46 0.00 0.02 -1.86 0.27 113.55 109.73 1ocr h SER 142 Ca 0.00 0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 1ocr h SER 142 Cb 0.43 0.72 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 1ocr h SER 142 CO 0.00 -0.43 0.18 0.58 -1.14 0.00 0.00 176.83 176.02 1ocr h VAL 143 N -0.47 1.20 -0.29 2.27 2.07 -1.87 -0.77 116.25 118.38 1ocr h VAL 143 Ca 0.05 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 1ocr h VAL 143 Cb 0.62 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1ocr h VAL 143 CO -0.52 0.25 -0.12 0.44 0.02 0.00 0.00 177.57 177.64 1ocr h ASP 144 N 0.74 0.47 -0.13 0.57 3.32 -1.40 0.66 116.42 120.65 1ocr h ASP 144 Ca 0.18 -0.12 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 1ocr h ASP 144 Cb 0.18 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1ocr h ASP 144 CO -0.01 0.62 -0.40 -0.07 -1.72 0.00 0.00 179.24 177.66 1ocr h LEU 145 N 0.45 0.70 -0.40 1.55 3.38 0.42 -1.62 115.31 119.79 1ocr h LEU 145 Ca 0.08 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1ocr h LEU 145 Cb 0.48 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1ocr h LEU 145 CO 0.03 1.02 0.04 0.74 0.09 0.00 0.00 178.44 180.36 1ocr h THR 146 N 0.54 1.25 -0.51 0.22 2.02 -0.37 -1.74 112.91 114.32 1ocr h THR 146 Ca 0.05 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.33 1ocr h THR 146 Cb 0.92 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 1ocr h THR 146 CO 0.08 0.31 0.33 0.40 0.37 0.00 0.00 175.52 177.01 1ocr h ILE 147 N 0.51 1.11 -0.30 3.11 2.04 -0.67 -2.26 117.51 121.05 1ocr h ILE 147 Ca 0.12 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 1ocr h ILE 147 Cb 0.40 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1ocr h ILE 147 CO 0.01 0.12 -0.10 -0.26 0.00 0.00 0.00 178.15 177.92 1ocr h PHE 148 N 0.67 0.54 -0.38 1.37 0.04 -1.11 -1.35 116.94 116.72 1ocr h PHE 148 Ca 0.19 -0.08 0.02 0.00 2.80 0.00 0.00 57.97 60.90 1ocr h PHE 148 Cb -0.05 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 1ocr h PHE 148 CO -0.05 0.60 0.21 1.03 -0.60 0.00 0.00 178.31 179.50 1ocr h SER 149 N 0.47 0.33 -0.21 2.17 0.87 -0.86 -1.53 113.55 114.78 1ocr h SER 149 Ca 0.09 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1ocr h SER 149 Cb 0.47 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1ocr h SER 149 CO 0.03 0.24 0.05 -0.07 -0.53 0.00 0.00 176.83 176.55 1ocr h LEU 150 N 0.43 0.40 -0.18 2.23 4.07 -0.90 -0.28 115.31 121.08 1ocr h LEU 150 Ca 0.15 -0.05 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 1ocr h LEU 150 Cb 0.03 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1ocr h LEU 150 CO -0.08 0.43 -0.03 0.45 -1.08 0.00 0.00 178.44 178.12 1ocr h HIS 151 N 0.43 0.38 -0.58 1.13 3.86 -0.34 0.08 115.15 120.11 1ocr h HIS 151 Ca 0.10 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1ocr h HIS 151 Cb 0.21 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 1ocr h HIS 151 CO 0.01 0.59 0.28 -0.07 0.86 0.00 0.00 177.93 179.60 1ocr h LEU 152 N 0.06 0.75 -1.11 2.43 3.38 -0.86 -0.32 115.31 119.64 1ocr h LEU 152 Ca 0.05 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1ocr h LEU 152 Cb 0.46 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1ocr h LEU 152 CO 0.02 0.66 0.18 0.00 0.09 0.00 0.00 178.44 179.39 1ocr h ALA 153 N 1.12 1.29 -0.02 1.53 0.00 -0.92 -0.16 119.26 122.09 1ocr h ALA 153 Ca 0.20 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ocr h ALA 153 Cb 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ocr h ALA 153 CO -0.03 0.51 0.00 0.78 0.00 0.00 0.00 179.25 180.52 1ocr h GLY 154 N 0.94 0.04 0.68 0.00 0.00 -0.27 -1.78 103.07 102.68 1ocr h GLY 154 Ca 0.18 -0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.56 1ocr h GLY 154 CO -0.01 0.02 0.56 -2.08 0.00 0.00 0.00 176.54 175.03 1ocr h VAL 155 N -0.24 1.03 0.05 4.60 2.07 -0.64 -0.32 116.25 122.80 1ocr h VAL 155 Ca 0.01 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1ocr h VAL 155 Cb 0.29 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1ocr h VAL 155 CO 0.00 0.18 -0.09 -1.28 0.02 0.00 0.00 177.57 176.40 1ocr h SER 156 N 0.99 -0.25 0.56 0.57 0.87 -0.67 -1.82 113.55 113.79 1ocr h SER 156 Ca 0.40 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.90 1ocr h SER 156 Cb 0.22 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1ocr h SER 156 CO -0.19 -0.14 -0.41 0.28 -0.53 0.00 0.00 176.83 175.84 1ocr h SER 157 N -0.18 0.00 -0.14 6.23 0.02 -0.58 -1.01 113.55 117.89 1ocr h SER 157 Ca 0.02 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 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 -0.06 0.41 -0.15 0.40 -1.14 0.00 0.00 176.83 176.29 1ocr h ILE 158 N 0.00 1.35 -0.56 3.27 2.04 -0.83 0.67 117.51 123.46 1ocr h ILE 158 Ca -0.00 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 1ocr h ILE 158 Cb 0.80 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.76 1ocr h ILE 158 CO 0.05 0.39 0.30 -0.07 0.00 0.00 0.00 178.15 178.82 1ocr h LEU 159 N -0.03 0.69 -0.47 1.44 4.07 -1.24 -1.58 115.31 118.19 1ocr h LEU 159 Ca 0.02 -0.05 -0.08 0.00 0.08 0.00 0.00 57.88 57.85 1ocr h LEU 159 Cb 0.69 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 1ocr h LEU 159 CO 0.04 0.57 -0.00 1.23 -1.08 0.00 0.00 178.44 179.19 1ocr h GLY 160 N 0.85 0.90 1.01 0.83 0.00 -0.87 -2.49 103.07 103.30 1ocr h GLY 160 Ca 0.20 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1ocr h GLY 160 CO -0.03 0.61 0.43 0.00 0.00 0.00 0.00 176.54 177.54 1ocr h ALA 161 N 0.92 0.92 -0.93 3.60 0.00 0.05 -0.65 119.26 123.17 1ocr h ALA 161 Ca 0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ocr h ALA 161 Cb 0.51 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1ocr h ALA 161 CO 0.02 0.40 0.57 0.82 0.00 0.00 0.00 179.25 181.06 1ocr h ILE 162 N 0.99 1.25 -0.04 0.00 2.04 -1.17 -1.06 117.51 119.52 1ocr h ILE 162 Ca 0.26 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1ocr h ILE 162 Cb -0.02 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.00 1ocr h ILE 162 CO -0.05 0.26 0.01 -1.13 0.00 0.00 0.00 178.15 177.24 1ocr h ASN 163 N 1.27 0.06 -0.60 1.72 -0.73 -0.87 -1.52 115.58 114.92 1ocr h ASN 163 Ca 0.33 -0.22 -0.04 0.00 1.87 0.00 0.00 56.30 58.25 1ocr h ASN 163 Cb -0.07 -0.02 -0.03 0.00 0.27 0.00 0.00 38.32 38.48 1ocr h ASN 163 CO -0.06 0.26 0.22 -0.26 -0.37 0.00 0.00 177.43 177.22 1ocr h PHE 164 N -0.14 0.93 -0.20 0.67 0.04 -0.95 0.55 116.94 117.84 1ocr h PHE 164 Ca 0.01 -0.08 -0.05 0.00 2.80 0.00 0.00 57.97 60.66 1ocr h PHE 164 Cb 0.22 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1ocr h PHE 164 CO -0.00 0.75 -0.07 0.82 -0.60 0.00 0.00 178.31 179.21 1ocr h ILE 165 N 0.83 1.30 -0.16 -0.55 2.04 -1.17 -1.19 117.51 118.61 1ocr h ILE 165 Ca 0.20 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.97 1ocr h ILE 165 Cb 0.23 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1ocr h ILE 165 CO -0.01 0.33 0.07 0.74 0.00 0.00 0.00 178.15 179.28 1ocr h THR 166 N 0.10 0.98 0.35 -0.27 2.02 -1.12 -1.67 112.91 113.29 1ocr h THR 166 Ca 0.05 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1ocr h THR 166 Cb 0.54 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1ocr h THR 166 CO 0.02 0.03 -0.37 0.74 0.37 0.00 0.00 175.52 176.31 1ocr h THR 167 N 0.16 0.25 -0.05 3.16 2.02 -0.85 0.15 112.91 117.75 1ocr h THR 167 Ca 0.07 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 1ocr h THR 167 Cb 0.03 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1ocr h THR 167 CO -0.06 0.00 0.01 0.40 0.37 0.00 0.00 175.52 176.24 1ocr h ILE 168 N -0.75 1.03 0.10 3.11 2.04 -1.14 0.26 117.51 122.16 1ocr h ILE 168 Ca -0.02 -0.10 -0.33 0.00 1.00 0.00 0.00 64.86 65.41 1ocr h ILE 168 Cb 0.68 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1ocr h ILE 168 CO -0.08 0.03 -1.78 0.40 0.00 0.00 0.00 178.15 176.73 1ocr h ILE 169 N 0.07 0.86 0.00 -0.67 2.04 -1.06 -3.41 117.51 115.33 1ocr h ILE 169 Ca 0.02 -2.57 -0.10 0.00 1.00 0.00 0.00 64.86 63.21 1ocr h ILE 169 Cb 0.03 2.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1ocr h ILE 169 CO -0.00 0.78 -1.92 -3.20 0.00 0.00 0.00 178.15 173.81 1ocr n ASN 170 N -3.39 0.17 -1.87 1.72 5.15 0.52 -4.69 115.26 112.88 1ocr n ASN 170 Ca -0.23 0.07 -0.21 0.00 -0.60 0.00 0.00 54.58 53.61 1ocr n ASN 170 Cb 1.05 1.43 0.11 0.00 -0.53 0.00 0.00 39.78 41.85 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 -2.47 2.63 -3.42 1.20 2.81 0.07 -5.00 117.12 112.94 1ocr n MET 171 Ca -0.11 -3.48 -0.21 0.00 -1.81 0.00 0.00 57.70 52.10 1ocr n MET 171 Cb 0.72 -2.13 -0.00 0.00 -0.71 0.00 0.00 33.22 31.10 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 -3.53 3.18 0.31 0.03 1.02 -1.26 -4.45 119.74 115.04 1ocr s LYS 172 Ca 0.54 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 55.44 1ocr s LYS 172 Cb 0.45 -2.75 -0.11 0.00 -0.52 0.00 0.00 37.83 34.89 1ocr s LYS 172 CO 0.02 0.04 1.58 -2.30 -0.92 0.00 0.00 175.35 173.77 1ocr n PRO 173 N -1.73 2.71 -0.51 -1.68 -0.02 -1.26 -4.82 135.00 127.69 1ocr n PRO 173 Ca -0.01 0.96 0.43 0.00 -2.02 0.00 0.00 63.50 62.86 1ocr n PRO 173 Cb 0.58 -2.74 0.77 0.00 -0.02 0.00 0.00 33.50 32.09 1ocr n PRO 173 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ocr h PRO 174 N 4.47 0.02 0.00 0.52 0.11 -1.96 0.18 132.00 135.34 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 0.77 0.01 -0.78 0.00 -0.21 0.00 0.00 178.00 177.79 1ocr n ALA 175 N -2.81 3.18 -2.66 -0.75 0.00 -1.26 -4.87 120.51 111.34 1ocr n ALA 175 Ca 0.35 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 1ocr n ALA 175 Cb 1.61 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 -3.16 4.24 0.71 0.00 0.00 0.63 -4.97 119.30 116.74 1ocr s MET 176 Ca 0.06 1.15 -0.06 0.00 0.00 0.00 0.00 55.69 56.84 1ocr s MET 176 Cb 0.14 -3.63 0.08 0.00 0.00 0.00 0.00 34.83 31.42 1ocr s MET 176 CO 0.75 -0.53 1.00 -1.54 0.00 0.00 0.00 175.02 174.71 1ocr s SER 177 N 1.24 4.67 0.52 1.11 1.04 -1.26 -4.73 113.70 116.30 1ocr s SER 177 Ca 0.40 0.27 0.24 0.00 0.48 0.00 0.00 55.95 57.34 1ocr s SER 177 Cb -0.15 -0.86 1.44 0.00 0.10 0.00 0.00 66.02 66.54 1ocr s SER 177 CO 0.08 -1.67 2.11 -0.61 0.98 0.00 0.00 173.24 174.14 1ocr h GLN 178 N -0.58 0.00 -0.47 4.02 5.75 -1.97 -1.11 115.11 120.75 1ocr h GLN 178 Ca -0.43 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.07 1ocr h GLN 178 Cb 1.30 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.85 1ocr h GLN 178 CO 0.55 0.09 0.00 0.66 -2.65 0.00 0.00 178.83 177.48 1ocr n TYR 179 N -3.92 0.21 -0.31 3.99 4.01 -1.26 -2.65 117.16 117.24 1ocr n TYR 179 Ca -0.02 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1ocr n TYR 179 Cb 0.18 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 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 -0.06 0.72 -3.24 -0.72 6.02 -0.42 -5.05 117.38 114.63 1ocr n GLN 180 Ca 0.04 -0.78 -0.35 0.00 -0.01 0.00 0.00 57.00 55.90 1ocr n GLN 180 Cb 0.22 -0.85 -0.06 0.00 1.02 0.00 0.00 30.24 30.58 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 -0.35 4.74 0.78 5.09 -4.23 -1.08 -4.93 115.64 115.65 1ocr s THR 181 Ca 0.00 0.96 -0.13 0.00 -1.18 0.00 0.00 61.69 61.34 1ocr s THR 181 Cb 0.00 -3.75 0.07 0.00 1.34 0.00 0.00 72.50 70.16 1ocr s THR 181 CO 0.00 0.13 1.17 -2.84 -0.54 0.00 0.00 174.62 172.54 1ocr s PRO 182 N -2.21 1.90 0.37 3.99 0.02 -1.26 -4.83 135.00 132.98 1ocr s PRO 182 Ca 0.43 1.61 0.07 0.00 0.02 0.00 0.00 61.00 63.13 1ocr s PRO 182 Cb -0.14 -1.82 0.79 0.00 0.02 0.00 0.00 34.50 33.34 1ocr s PRO 182 CO 0.20 -1.98 1.94 -0.07 -0.33 0.00 0.00 177.00 176.75 1ocr h LEU 183 N -0.79 0.64 -0.44 -5.54 3.38 -1.97 -1.30 115.31 109.28 1ocr h LEU 183 Ca -0.46 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.55 1ocr h LEU 183 Cb 1.28 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1ocr h LEU 183 CO 0.48 0.39 0.25 0.15 0.09 0.00 0.00 178.44 179.80 1ocr h PHE 184 N 0.71 0.47 -0.80 1.13 3.57 -1.92 0.32 116.94 120.43 1ocr h PHE 184 Ca 0.34 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.91 1ocr h PHE 184 Cb 0.41 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 1ocr h PHE 184 CO -0.00 0.27 0.49 0.28 -2.23 0.00 0.00 178.31 177.12 1ocr h VAL 185 N 0.51 1.06 -0.61 1.41 2.07 -1.61 0.14 116.25 119.22 1ocr h VAL 185 Ca 0.18 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 1ocr h VAL 185 Cb 0.02 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 1ocr h VAL 185 CO -0.09 0.17 0.22 -0.50 0.02 0.00 0.00 177.57 177.39 1ocr h TRP 186 N 0.92 0.94 -0.94 1.57 4.06 -0.74 -0.16 115.95 121.61 1ocr h TRP 186 Ca 0.34 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 61.21 1ocr h TRP 186 Cb 0.11 -0.28 -0.05 0.00 -1.00 0.00 0.00 29.16 27.95 1ocr h TRP 186 CO -0.04 0.76 0.59 0.66 -3.56 0.00 0.00 178.44 176.86 1ocr h SER 187 N 0.85 1.10 1.71 -3.49 4.64 0.89 -0.51 113.55 118.74 1ocr h SER 187 Ca 0.20 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.43 1ocr h SER 187 Cb 0.24 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1ocr h SER 187 CO -0.01 0.82 -0.20 1.62 -0.87 0.00 0.00 176.83 178.19 1ocr h VAL 188 N 1.28 0.35 -0.07 0.95 3.04 -0.25 -2.54 116.25 119.00 1ocr h VAL 188 Ca 0.34 -1.44 -0.04 0.00 -1.01 0.00 0.00 66.70 64.56 1ocr h VAL 188 Cb -0.10 2.12 -0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1ocr h VAL 188 CO -0.07 0.19 -0.10 -0.03 -1.01 0.00 0.00 177.57 176.56 1ocr h MET 189 N 0.00 0.19 -0.95 4.17 -1.53 -0.09 -1.98 114.93 114.74 1ocr h MET 189 Ca -0.00 -0.11 0.02 0.00 -3.44 0.00 0.00 59.70 56.16 1ocr h MET 189 Cb 1.11 0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 32.12 1ocr h MET 189 CO 0.03 0.66 0.63 0.82 0.14 0.00 0.00 176.91 179.19 1ocr h ILE 190 N -0.27 1.22 -0.38 1.77 2.04 -1.13 -1.63 117.51 119.13 1ocr h ILE 190 Ca 0.01 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1ocr h ILE 190 Cb 0.64 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1ocr h ILE 190 CO 0.02 0.23 0.22 0.74 0.00 0.00 0.00 178.15 179.37 1ocr h THR 191 N 1.26 1.13 -1.00 -0.27 2.02 -1.47 -2.00 112.91 112.59 1ocr h THR 191 Ca 0.36 -0.33 0.05 0.00 0.77 0.00 0.00 66.41 67.27 1ocr h THR 191 Cb -0.10 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 66.91 1ocr h THR 191 CO -0.09 0.14 0.65 0.00 0.37 0.00 0.00 175.52 176.59 1ocr h ALA 192 N 1.09 1.38 -0.41 6.16 0.00 -0.53 0.75 119.26 127.70 1ocr h ALA 192 Ca 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ocr h ALA 192 Cb 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1ocr h ALA 192 CO -0.02 0.49 0.17 0.28 0.00 0.00 0.00 179.25 180.16 1ocr h VAL 193 N 1.21 1.19 -0.94 0.00 2.07 -0.87 -0.93 116.25 117.98 1ocr h VAL 193 Ca 0.42 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1ocr h VAL 193 Cb 0.10 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1ocr h VAL 193 CO -0.15 0.22 0.57 -0.07 0.02 0.00 0.00 177.57 178.16 1ocr h LEU 194 N 0.51 1.12 -0.44 2.57 4.07 -0.53 -1.99 115.31 120.62 1ocr h LEU 194 Ca 0.14 -0.06 -0.06 0.00 0.08 0.00 0.00 57.88 57.97 1ocr h LEU 194 Cb 0.18 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 1ocr h LEU 194 CO -0.01 0.86 0.02 -0.07 -1.08 0.00 0.00 178.44 178.16 1ocr h LEU 195 N 1.29 0.74 -1.16 1.67 3.38 -0.69 -1.08 115.31 119.46 1ocr h LEU 195 Ca 0.34 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1ocr h LEU 195 Cb -0.07 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 1ocr h LEU 195 CO -0.06 0.85 0.57 0.25 0.09 0.00 0.00 178.44 180.13 1ocr h LEU 196 N 0.60 0.95 0.00 1.67 5.85 -0.49 -2.20 115.31 121.69 1ocr h LEU 196 Ca 0.13 -0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.64 1ocr h LEU 196 Cb 0.46 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1ocr h LEU 196 CO 0.02 0.66 -1.39 -0.07 -0.34 0.00 0.00 178.44 177.31 1ocr h LEU 197 N 1.10 0.00 0.09 2.25 3.38 -1.31 -3.41 115.31 117.41 1ocr h LEU 197 Ca 0.34 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.94 1ocr h LEU 197 Cb -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1ocr h LEU 197 CO -0.09 0.67 -2.14 -1.54 0.09 0.00 0.00 178.44 175.43 1ocr n SER 198 N -2.96 2.04 -0.26 -0.43 3.41 -0.42 -4.40 113.62 110.60 1ocr n SER 198 Ca -0.10 0.11 0.08 0.00 -0.26 0.00 0.00 58.87 58.70 1ocr n SER 198 Cb 0.88 -0.70 0.33 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.73 -1.16 1.04 4.07 -1.60 -1.72 115.31 116.72 1ocr h LEU 199 Ca -0.47 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 57.45 1ocr h LEU 199 Cb 2.00 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 43.59 1ocr h LEU 199 CO 0.04 0.42 -0.09 -0.65 -1.08 0.00 0.00 178.44 177.08 1ocr h PRO 200 N 0.80 0.48 -0.60 1.13 0.11 -1.79 -0.16 132.00 131.97 1ocr h PRO 200 Ca 0.40 -0.13 -0.08 0.00 0.11 0.00 0.00 66.00 66.31 1ocr h PRO 200 Cb 0.46 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 1ocr h PRO 200 CO -0.17 0.58 0.08 0.28 -0.21 0.00 0.00 178.00 178.56 1ocr h VAL 201 N 0.45 1.26 0.35 3.15 2.07 -1.53 -0.57 116.25 121.43 1ocr h VAL 201 Ca 0.09 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1ocr h VAL 201 Cb 0.44 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1ocr h VAL 201 CO 0.02 0.38 -0.17 0.25 0.02 0.00 0.00 177.57 178.07 1ocr h LEU 202 N 0.92 -0.41 -1.09 2.57 5.85 -1.18 -0.40 115.31 121.58 1ocr h LEU 202 Ca 0.18 0.02 0.22 0.00 0.84 0.00 0.00 57.88 59.14 1ocr h LEU 202 Cb 0.45 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.48 1ocr h LEU 202 CO 0.02 -0.29 0.61 0.00 -0.34 0.00 0.00 178.44 178.44 1ocr h ALA 203 N 0.18 1.82 -0.03 1.25 0.00 -0.69 0.16 119.26 121.95 1ocr h ALA 203 Ca -0.05 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ocr h ALA 203 Cb 0.37 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ocr h ALA 203 CO 0.07 -0.23 0.01 0.00 0.00 0.00 0.00 179.25 179.10 1ocr h ALA 204 N 1.67 0.04 -0.16 0.00 0.00 -0.51 -2.27 119.26 118.04 1ocr h ALA 204 Ca 0.60 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.42 1ocr h ALA 204 Cb 1.11 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1ocr h ALA 204 CO -0.39 -0.34 -0.06 0.78 0.00 0.00 0.00 179.25 179.25 1ocr h GLY 205 N -0.17 0.09 2.00 0.00 0.00 0.93 -1.73 103.07 104.20 1ocr h GLY 205 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1ocr h GLY 205 CO 0.00 -0.08 0.00 0.29 0.00 0.00 0.00 176.54 176.75 1ocr n ILE 206 N -5.20 0.67 0.07 2.60 -5.35 -0.08 -1.59 119.36 110.48 1ocr n ILE 206 Ca -0.03 -0.01 -0.15 0.00 -0.27 0.00 0.00 62.75 62.29 1ocr n ILE 206 Cb 0.12 -0.85 -0.07 0.00 -1.74 0.00 0.00 39.64 37.11 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 1.38 -0.53 7.28 2.02 -0.73 -1.91 112.91 120.42 1ocr h THR 207 Ca 0.00 -2.44 -0.11 0.00 0.77 0.00 0.00 66.41 64.63 1ocr h THR 207 Cb 0.53 2.46 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 1ocr h THR 207 CO 0.00 0.73 -0.10 0.24 0.37 0.00 0.00 175.52 176.76 1ocr h MET 208 N 0.26 0.99 -0.60 6.66 2.86 -0.79 -1.18 114.93 123.12 1ocr h MET 208 Ca -0.10 -0.36 -0.04 0.00 -2.06 0.00 0.00 59.70 57.14 1ocr h MET 208 Cb 1.64 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 33.21 1ocr h MET 208 CO 0.18 1.03 0.19 1.25 1.06 0.00 0.00 176.91 180.62 1ocr h LEU 209 N 0.88 0.83 -0.48 1.22 5.85 -1.22 -1.50 115.31 120.90 1ocr h LEU 209 Ca 0.14 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1ocr h LEU 209 Cb 0.66 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1ocr h LEU 209 CO 0.05 0.78 0.02 0.25 -0.34 0.00 0.00 178.44 179.20 1ocr h LEU 210 N 0.88 0.80 -0.68 2.25 5.85 -0.89 -2.14 115.31 121.37 1ocr h LEU 210 Ca 0.20 -0.29 -0.14 0.00 0.84 0.00 0.00 57.88 58.49 1ocr h LEU 210 Cb 0.25 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1ocr h LEU 210 CO -0.01 0.90 -0.52 0.71 -0.34 0.00 0.00 178.44 179.18 1ocr h THR 211 N 0.68 1.34 -0.78 1.05 1.35 -1.03 -1.23 112.91 114.29 1ocr h THR 211 Ca 0.14 -1.77 -0.02 0.00 -0.55 0.00 0.00 66.41 64.21 1ocr h THR 211 Cb 0.47 1.81 -0.04 0.00 -1.73 0.00 0.00 68.15 68.66 1ocr h THR 211 CO 0.02 0.54 0.42 0.44 -0.25 0.00 0.00 175.52 176.69 1ocr h ASP 212 N 0.29 0.97 1.20 5.36 5.19 -1.03 0.63 116.42 129.04 1ocr h ASP 212 Ca 0.01 -0.08 -0.13 0.00 -0.62 0.00 0.00 57.03 56.21 1ocr h ASP 212 Cb 1.01 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.26 1ocr h ASP 212 CO 0.09 0.78 -0.63 0.03 -3.12 0.00 0.00 179.24 176.38 1ocr h ARG 213 N 1.09 0.00 0.00 3.56 3.08 -1.10 -3.37 114.38 117.64 1ocr h ARG 213 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1ocr h ARG 213 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1ocr h ARG 213 CO -0.04 0.63 -0.03 0.09 -1.07 0.00 0.00 179.97 179.55 1ocr n ASN 214 N -3.34 0.15 -0.06 7.04 3.02 -0.49 -4.74 115.26 116.84 1ocr n ASN 214 Ca 0.01 -0.31 0.04 0.00 -0.03 0.00 0.00 54.58 54.29 1ocr n ASN 214 Cb 0.75 0.65 0.06 0.00 -0.61 0.00 0.00 39.78 40.63 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 -0.66 1.85 -3.16 3.41 4.32 0.22 -5.01 117.00 117.97 1ocr n LEU 215 Ca 0.00 -2.22 -0.23 0.00 -0.02 0.00 0.00 56.01 53.54 1ocr n LEU 215 Cb 0.00 -0.17 0.05 0.00 -1.62 0.00 0.00 43.42 41.67 1ocr n LEU 215 CO 0.00 0.53 0.05 0.59 -1.22 0.00 0.00 177.39 177.34 1ocr n ASN 216 N -0.81 -6.19 -4.96 -1.43 3.02 -1.07 -4.96 115.26 98.87 1ocr n ASN 216 Ca 0.06 -0.35 -0.22 0.00 -0.03 0.00 0.00 54.58 54.04 1ocr n ASN 216 Cb 0.46 -4.97 0.04 0.00 -0.61 0.00 0.00 39.78 34.70 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 -3.21 2.59 -0.33 3.41 -4.23 -1.21 -5.01 115.64 107.65 1ocr s THR 217 Ca 0.37 -0.56 0.17 0.00 -1.18 0.00 0.00 61.69 60.49 1ocr s THR 217 Cb -0.16 -3.01 0.45 0.00 1.34 0.00 0.00 72.50 71.12 1ocr s THR 217 CO 0.46 -0.01 0.95 0.35 -0.54 0.00 0.00 174.62 175.83 1ocr n THR 218 N -2.49 1.03 -0.26 3.99 -2.24 -1.26 -4.43 114.28 108.62 1ocr n THR 218 Ca 0.08 -3.25 -0.05 0.00 -2.27 0.00 0.00 64.05 58.56 1ocr n THR 218 Cb 0.60 0.50 0.10 0.00 -2.10 0.00 0.00 70.33 69.42 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 2.97 1.14 -0.04 4.78 0.04 -1.95 -2.83 116.94 121.05 1ocr h PHE 219 Ca -0.06 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.62 1ocr h PHE 219 Cb 1.15 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.96 1ocr h PHE 219 CO 0.52 0.87 0.00 1.19 -0.60 0.00 0.00 178.31 180.29 1ocr n PHE 220 N -4.28 0.04 -3.52 -0.55 3.72 -1.26 -0.95 117.46 110.67 1ocr n PHE 220 Ca 0.07 -0.05 -0.41 0.00 -0.05 0.00 0.00 57.45 57.01 1ocr n PHE 220 Cb 0.19 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.63 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 -0.80 6.04 0.54 4.37 -1.08 -1.20 -2.57 116.67 121.97 1ocr s ASP 221 Ca 0.12 -0.60 0.25 0.00 -0.52 0.00 0.00 52.55 51.80 1ocr s ASP 221 Cb 0.08 -2.13 1.42 0.00 -1.46 0.00 0.00 42.92 40.82 1ocr s ASP 221 CO 0.12 -0.31 2.02 -0.65 0.52 0.00 0.00 175.17 176.87 1ocr h PRO 222 N 8.53 0.00 -0.96 4.34 0.11 -1.86 -0.85 132.00 141.31 1ocr h PRO 222 Ca -0.30 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.01 1ocr h PRO 222 Cb 1.14 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.17 1ocr h PRO 222 CO 0.66 0.00 0.61 0.00 -0.21 0.00 0.00 178.00 179.07 1ocr h ALA 223 N 1.75 1.98 -0.50 -0.75 0.00 -1.93 0.22 119.26 120.03 1ocr h ALA 223 Ca 0.20 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ocr h ALA 223 Cb 0.86 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ocr h ALA 223 CO -0.00 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.35 1ocr n GLY 224 N -1.43 2.14 0.82 0.00 0.00 -0.44 -4.94 105.19 101.34 1ocr n GLY 224 Ca 0.21 -0.66 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 1.31 0.69 1.73 -0.02 0.00 0.78 -4.95 105.19 104.72 1ocr n GLY 225 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.06 -2.69 3.22 -0.02 0.00 -0.52 -4.87 105.19 98.25 1ocr n GLY 226 Ca 0.00 -1.46 -0.06 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.94 -0.37 0.58 1.61 -1.08 -0.12 -3.69 116.67 110.66 1ocr s ASP 227 Ca 0.35 0.88 0.28 0.00 -0.52 0.00 0.00 52.55 53.55 1ocr s ASP 227 Cb -0.04 1.50 1.73 0.00 -1.46 0.00 0.00 42.92 44.66 1ocr s ASP 227 CO 0.27 -0.25 2.20 -0.65 0.52 0.00 0.00 175.17 177.26 1ocr h PRO 228 N 8.14 0.00 -0.08 4.34 0.11 -1.77 -0.33 132.00 142.41 1ocr h PRO 228 Ca -0.18 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.83 1ocr h PRO 228 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1ocr h PRO 228 CO 0.17 0.00 -0.43 0.82 -0.21 0.00 0.00 178.00 178.34 1ocr h ILE 229 N 0.00 1.32 -0.94 4.15 1.08 -1.92 -2.95 117.51 118.25 1ocr h ILE 229 Ca 0.03 -1.56 0.08 0.00 -0.39 0.00 0.00 64.86 63.02 1ocr h ILE 229 Cb 0.16 1.74 -0.07 0.00 -3.07 0.00 0.00 36.82 35.58 1ocr h ILE 229 CO -0.00 0.46 0.59 0.25 -0.69 0.00 0.00 178.15 178.76 1ocr h LEU 230 N 0.15 0.91 -0.54 1.44 5.85 -1.40 -0.60 115.31 121.11 1ocr h LEU 230 Ca 0.01 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1ocr h LEU 230 Cb 0.83 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1ocr h LEU 230 CO 0.06 0.55 0.33 0.22 -0.34 0.00 0.00 178.44 179.27 1ocr h TYR 231 N 1.02 0.62 -0.83 1.25 3.20 -1.61 -2.41 116.97 118.21 1ocr h TYR 231 Ca 0.43 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.35 1ocr h TYR 231 Cb 0.27 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 1ocr h TYR 231 CO -0.02 0.36 0.53 1.96 -1.64 0.00 0.00 178.16 179.36 1ocr h GLN 232 N 0.66 1.00 -0.23 1.82 4.20 -1.16 0.11 115.11 121.53 1ocr h GLN 232 Ca 0.22 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1ocr h GLN 232 Cb 0.01 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1ocr h GLN 232 CO -0.09 0.66 0.10 0.45 -0.67 0.00 0.00 178.83 179.29 1ocr h HIS 233 N 1.03 0.34 -0.38 2.96 3.86 -0.95 -0.40 115.15 121.61 1ocr h HIS 233 Ca 0.34 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.46 1ocr h HIS 233 Cb 0.02 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 1ocr h HIS 233 CO -0.02 0.35 -0.02 -0.07 0.86 0.00 0.00 177.93 179.03 1ocr h LEU 234 N 0.22 0.68 0.06 2.43 3.38 -1.12 -1.16 115.31 119.81 1ocr h LEU 234 Ca 0.08 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1ocr h LEU 234 Cb 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ocr h LEU 234 CO -0.01 0.84 -0.03 0.15 0.09 0.00 0.00 178.44 179.48 1ocr h PHE 235 N 0.50 -0.08 0.00 1.13 3.57 -0.61 -2.91 116.94 118.54 1ocr h PHE 235 Ca 0.10 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1ocr h PHE 235 Cb 0.50 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1ocr h PHE 235 CO 0.04 0.01 0.00 -1.49 -2.23 0.00 0.00 178.31 174.64 1ocr h TRP 236 N -0.16 0.00 0.00 0.41 4.06 -1.06 0.15 115.95 119.35 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 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 1ocr h TRP 236 CO -0.05 0.00 -0.30 0.35 -3.56 0.00 0.00 178.44 174.88 1ocr h PHE 237 N 0.00 0.00 0.09 0.49 3.57 -1.00 -1.96 116.94 118.13 1ocr h PHE 237 Ca 0.00 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.22 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 -1.48 0.35 -2.23 0.00 0.00 178.31 175.25 1ocr h PHE 238 N 0.00 0.36 -0.81 0.41 3.57 -1.38 -3.41 116.94 115.69 1ocr h PHE 238 Ca -0.00 -0.27 0.13 0.00 3.53 0.00 0.00 57.97 61.36 1ocr h PHE 238 Cb 0.61 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.25 1ocr h PHE 238 CO 0.00 1.58 0.40 0.78 -2.23 0.00 0.00 178.31 178.85 1ocr h GLY 239 N 0.07 1.27 0.58 2.40 0.00 -0.29 -0.54 103.07 106.58 1ocr h GLY 239 Ca -0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1ocr h GLY 239 CO 0.01 -0.01 -0.07 0.84 0.00 0.00 0.00 176.54 177.32 1ocr h HIS 240 N 0.61 -0.17 -0.74 5.60 -0.00 -1.60 -2.92 115.15 115.93 1ocr h HIS 240 Ca 0.43 -0.00 0.16 0.00 -0.00 0.00 0.00 60.37 60.96 1ocr h HIS 240 Cb 0.56 0.06 -0.12 0.00 -0.00 0.00 0.00 27.41 27.91 1ocr h HIS 240 CO -0.10 0.21 0.12 -1.35 -0.00 0.00 0.00 177.93 176.81 1ocr h PRO 241 N -0.61 0.20 -0.98 5.26 0.11 -1.61 0.10 132.00 134.48 1ocr h PRO 241 Ca -0.02 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 66.27 1ocr h PRO 241 Cb 0.46 -0.05 -0.11 0.00 0.11 0.00 0.00 31.00 31.42 1ocr h PRO 241 CO 0.03 0.13 0.58 1.49 -0.21 0.00 0.00 178.00 180.03 1ocr h GLU 242 N 0.21 0.69 -0.03 1.05 4.57 -1.05 0.11 114.58 120.13 1ocr h GLU 242 Ca 0.41 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.45 1ocr h GLU 242 Cb 0.72 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1ocr h GLU 242 CO -0.56 0.46 -0.47 -0.39 -1.18 0.00 0.00 179.01 176.87 1ocr h VAL 243 N 0.71 1.34 0.00 0.32 -1.51 -0.60 -1.15 116.25 115.36 1ocr h VAL 243 Ca 0.57 -1.63 -0.17 0.00 -1.23 0.00 0.00 66.70 64.24 1ocr h VAL 243 Cb 0.92 1.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.90 1ocr h VAL 243 CO -0.40 0.47 -0.82 1.88 -1.23 0.00 0.00 177.57 177.47 1ocr h TYR 244 N 0.06 0.00 0.00 5.19 0.05 -0.85 -2.87 116.97 118.55 1ocr h TYR 244 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 1ocr h TYR 244 Cb 0.85 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.59 1ocr h TYR 244 CO 0.00 0.82 -0.26 0.82 -1.05 0.00 0.00 178.16 178.50 1ocr h ILE 245 N 0.00 0.91 0.00 -2.88 2.04 -0.27 0.03 117.51 117.34 1ocr h ILE 245 Ca -0.01 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1ocr h ILE 245 Cb 1.52 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 1ocr h ILE 245 CO 0.11 0.25 -0.03 -0.07 0.00 0.00 0.00 178.15 178.41 1ocr h LEU 246 N 0.00 0.00 0.00 1.44 3.38 -1.01 -3.37 115.31 115.76 1ocr h LEU 246 Ca -0.00 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1ocr h LEU 246 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1ocr h LEU 246 CO 0.03 0.00 -1.58 0.00 0.09 0.00 0.00 178.44 176.98 1ocr n ILE 247 N -2.75 0.28 -0.02 1.22 0.13 -0.61 -4.66 119.36 112.94 1ocr n ILE 247 Ca 0.04 -0.32 -0.09 0.00 -1.10 0.00 0.00 62.75 61.28 1ocr n ILE 247 Cb 0.49 -0.14 -0.04 0.00 -0.84 0.00 0.00 39.64 39.11 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 -0.04 -1.97 9.51 3.38 -1.19 0.49 115.31 125.48 1ocr h LEU 248 Ca -0.11 0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.97 1ocr h LEU 248 Cb 0.96 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1ocr h LEU 248 CO 0.01 0.00 0.20 -0.65 0.09 0.00 0.00 178.44 178.09 1ocr h PRO 249 N 0.06 0.03 -0.42 1.13 0.11 -1.79 0.21 132.00 131.34 1ocr h PRO 249 Ca 0.07 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.04 1ocr h PRO 249 Cb 0.08 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 1ocr h PRO 249 CO -0.12 0.02 -0.29 0.78 -0.21 0.00 0.00 178.00 178.19 1ocr h GLY 250 N 0.03 0.99 1.00 -0.55 0.00 -1.31 -0.57 103.07 102.66 1ocr h GLY 250 Ca 0.13 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1ocr h GLY 250 CO -0.01 0.84 0.26 0.74 0.00 0.00 0.00 176.54 178.38 1ocr h PHE 251 N 0.77 0.52 0.18 5.60 0.04 0.94 -0.74 116.94 124.25 1ocr h PHE 251 Ca 0.09 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.88 1ocr h PHE 251 Cb 0.86 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.80 1ocr h PHE 251 CO 0.05 0.35 -0.29 0.78 -0.60 0.00 0.00 178.31 178.60 1ocr h GLY 252 N 0.55 -0.58 0.79 -1.45 0.00 -0.46 -2.18 103.07 99.74 1ocr h GLY 252 Ca 0.15 0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.85 1ocr h GLY 252 CO -0.03 -0.24 0.21 -0.33 0.00 0.00 0.00 176.54 176.15 1ocr h MET 253 N -0.54 0.42 -0.55 4.80 2.86 -0.96 -1.58 114.93 119.38 1ocr h MET 253 Ca 0.02 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 1ocr h MET 253 Cb 0.54 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1ocr h MET 253 CO -0.13 0.28 0.37 0.82 1.06 0.00 0.00 176.91 179.30 1ocr h ILE 254 N 0.43 0.97 -0.57 -1.22 1.08 -0.90 -1.02 117.51 116.28 1ocr h ILE 254 Ca 0.18 -0.16 -0.09 0.00 -0.39 0.00 0.00 64.86 64.40 1ocr h ILE 254 Cb 0.08 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 1ocr h ILE 254 CO -0.13 0.09 0.02 0.28 -0.69 0.00 0.00 178.15 177.72 1ocr h SER 255 N 0.48 0.97 -0.40 1.72 0.02 -0.64 -0.66 113.55 115.03 1ocr h SER 255 Ca 0.24 -0.30 -0.12 0.00 -0.84 0.00 0.00 61.79 60.77 1ocr h SER 255 Cb 0.34 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1ocr h SER 255 CO -0.07 1.03 -0.21 0.45 -1.14 0.00 0.00 176.83 176.90 1ocr h HIS 256 N 0.88 1.03 -0.10 3.45 3.86 -1.00 -2.50 115.15 120.78 1ocr h HIS 256 Ca 0.16 -0.24 -0.04 0.00 -1.16 0.00 0.00 60.37 59.09 1ocr h HIS 256 Cb 0.52 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 1ocr h HIS 256 CO 0.04 1.02 -0.10 0.82 0.86 0.00 0.00 177.93 180.57 1ocr h ILE 257 N 0.79 1.37 -0.82 2.45 2.04 -1.00 -1.20 117.51 121.13 1ocr h ILE 257 Ca 0.11 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.65 1ocr h ILE 257 Cb 0.76 2.00 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 1ocr h ILE 257 CO 0.06 0.36 0.37 0.58 0.00 0.00 0.00 178.15 179.53 1ocr h VAL 258 N -0.18 1.26 -0.07 1.67 2.07 -1.19 -1.80 116.25 118.01 1ocr h VAL 258 Ca 0.01 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1ocr h VAL 258 Cb 0.63 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1ocr h VAL 258 CO 0.03 0.32 0.01 0.74 0.02 0.00 0.00 177.57 178.68 1ocr h THR 259 N 1.17 1.22 0.42 2.57 2.02 -1.43 -2.90 112.91 115.98 1ocr h THR 259 Ca 0.28 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1ocr h THR 259 Cb 0.15 1.52 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1ocr h THR 259 CO -0.03 0.19 -0.24 0.22 0.37 0.00 0.00 175.52 176.02 1ocr h TYR 260 N -0.12 -0.63 0.00 3.16 3.20 -0.96 -2.40 116.97 119.21 1ocr h TYR 260 Ca 0.02 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1ocr h TYR 260 Cb 0.28 0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1ocr h TYR 260 CO 0.02 -0.38 0.00 0.66 -1.64 0.00 0.00 178.16 176.82 1ocr n TYR 261 N -5.37 0.00 0.75 -3.82 4.01 -0.70 -1.23 117.16 110.80 1ocr n TYR 261 Ca -0.11 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.71 1ocr n TYR 261 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.28 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 -0.88 1.46 -1.29 7.72 7.64 -1.07 -1.34 113.62 125.86 1ocr n SER 262 Ca 0.13 -1.23 -0.10 0.00 1.01 0.00 0.00 58.87 58.69 1ocr n SER 262 Cb 0.06 0.60 0.01 0.00 -1.01 0.00 0.00 64.21 63.87 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 1.23 0.08 3.97 0.23 0.00 -0.36 -0.88 105.19 109.46 1ocr n GLY 263 Ca 0.06 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.80 3.44 0.05 1.61 -0.14 -0.93 -4.85 119.74 114.13 1ocr s LYS 264 Ca 0.08 -0.74 0.05 0.00 -1.36 0.00 0.00 55.97 53.99 1ocr s LYS 264 Cb -0.03 -2.88 -0.24 0.00 -1.68 0.00 0.00 37.83 32.99 1ocr s LYS 264 CO 0.10 0.42 1.02 0.87 -0.76 0.00 0.00 175.35 177.00 1ocr h LYS 265 N 1.17 0.09 -3.54 1.68 1.79 -1.96 -3.42 116.57 112.38 1ocr h LYS 265 Ca -0.52 -0.15 -0.07 0.00 -2.18 0.00 0.00 60.65 57.73 1ocr h LYS 265 Cb 1.23 0.06 -0.14 0.00 -1.58 0.00 0.00 32.23 31.80 1ocr h LYS 265 CO 0.61 0.94 -0.20 -1.83 -1.08 0.00 0.00 179.45 177.89 1ocr s GLU 266 N -2.66 0.95 0.61 3.15 -1.05 -1.26 -4.88 118.70 113.57 1ocr s GLU 266 Ca -0.03 -0.78 -0.16 0.00 -0.15 0.00 0.00 54.97 53.85 1ocr s GLU 266 Cb 0.08 0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 34.16 1ocr s GLU 266 CO 0.84 -0.34 1.08 -1.25 0.95 0.00 0.00 175.26 176.54 1ocr s PRO 267 N -3.69 3.15 0.31 -4.83 0.04 -1.26 -4.98 135.00 123.74 1ocr s PRO 267 Ca 0.03 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 1ocr s PRO 267 Cb 0.03 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 1ocr s PRO 267 CO -0.11 -0.96 1.23 0.12 0.04 0.00 0.00 177.00 177.33 1ocr s PHE 268 N -2.32 3.24 -1.34 0.56 2.19 -1.26 -3.76 117.98 115.28 1ocr s PHE 268 Ca 0.66 1.51 -0.05 0.00 0.33 0.00 0.00 56.93 59.39 1ocr s PHE 268 Cb -0.18 -3.54 0.02 0.00 -1.31 0.00 0.00 43.02 38.01 1ocr s PHE 268 CO 0.37 -1.40 0.90 0.41 1.83 0.00 0.00 175.22 177.33 1ocr n GLY 269 N 0.97 -0.39 0.34 13.12 0.00 -1.26 -4.80 105.19 113.17 1ocr n GLY 269 Ca -0.00 0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.05 -0.03 0.00 1.61 5.03 -1.98 0.45 116.97 120.00 1ocr h TYR 270 Ca -0.59 0.07 -0.12 0.00 2.58 0.00 0.00 58.73 60.66 1ocr h TYR 270 Cb 1.36 0.17 -0.02 0.00 1.55 0.00 0.00 36.73 39.79 1ocr h TYR 270 CO 0.49 -0.42 -0.59 0.52 -1.32 0.00 0.00 178.16 176.83 1ocr h MET 271 N 0.02 0.00 -0.02 1.82 2.86 -1.94 -1.74 114.93 115.92 1ocr h MET 271 Ca 0.60 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 58.12 1ocr h MET 271 Cb 1.23 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.88 1ocr h MET 271 CO -0.91 0.59 -0.53 0.78 1.06 0.00 0.00 176.91 177.91 1ocr h GLY 272 N 2.60 0.06 1.06 8.32 0.00 -0.58 -0.42 103.07 114.12 1ocr h GLY 272 Ca -0.01 -0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 1ocr h GLY 272 CO 0.08 0.06 -0.34 1.98 0.00 0.00 0.00 176.54 178.33 1ocr h MET 273 N 0.05 0.84 -0.12 4.80 -1.53 -0.60 0.29 114.93 118.65 1ocr h MET 273 Ca -0.00 -0.44 -0.04 0.00 -3.44 0.00 0.00 59.70 55.78 1ocr h MET 273 Cb 0.95 0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 32.01 1ocr h MET 273 CO 0.07 1.08 -0.08 0.28 0.14 0.00 0.00 176.91 178.40 1ocr h VAL 274 N 0.63 1.33 -0.42 -5.77 2.07 -1.11 -2.74 116.25 110.24 1ocr h VAL 274 Ca 0.06 -1.15 0.08 0.00 0.82 0.00 0.00 66.70 66.51 1ocr h VAL 274 Cb 0.92 1.82 -0.07 0.00 -1.52 0.00 0.00 31.29 32.44 1ocr h VAL 274 CO 0.08 0.33 -0.04 -0.25 0.02 0.00 0.00 177.57 177.71 1ocr h TRP 275 N -0.09 -0.10 -0.61 1.57 7.01 -0.97 -2.19 115.95 120.57 1ocr h TRP 275 Ca 0.03 0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.13 1ocr h TRP 275 Cb 0.56 0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 27.67 1ocr h TRP 275 CO 0.07 -0.13 0.30 0.00 -2.79 0.00 0.00 178.44 175.90 1ocr h ALA 276 N 1.39 0.80 -0.46 2.65 0.00 -0.84 -0.82 119.26 121.98 1ocr h ALA 276 Ca 0.20 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1ocr h ALA 276 Cb 0.30 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1ocr h ALA 276 CO -0.38 -0.06 -0.14 0.52 0.00 0.00 0.00 179.25 179.19 1ocr h MET 277 N 0.55 0.85 -0.49 0.00 2.86 -1.13 -0.81 114.93 116.76 1ocr h MET 277 Ca 0.28 -0.31 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1ocr h MET 277 Cb 0.24 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1ocr h MET 277 CO -0.21 0.94 0.14 0.52 1.06 0.00 0.00 176.91 179.35 1ocr h MET 278 N 0.76 0.78 -0.20 1.72 2.07 -0.84 0.36 114.93 119.59 1ocr h MET 278 Ca 0.12 -0.18 -0.00 0.00 -2.07 0.00 0.00 59.70 57.57 1ocr h MET 278 Cb 0.65 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 30.26 1ocr h MET 278 CO 0.05 0.75 0.11 0.77 1.07 0.00 0.00 176.91 179.65 1ocr h SER 279 N 0.67 0.24 -0.57 1.22 0.02 -0.99 0.90 113.55 115.05 1ocr h SER 279 Ca 0.16 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ocr h SER 279 Cb 0.31 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1ocr h SER 279 CO -0.00 0.25 0.35 0.40 -1.14 0.00 0.00 176.83 176.69 1ocr h ILE 280 N 0.22 1.16 -0.51 3.27 2.04 -1.00 0.14 117.51 122.82 1ocr h ILE 280 Ca 0.07 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.62 1ocr h ILE 280 Cb 0.06 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.47 1ocr h ILE 280 CO -0.01 0.16 0.29 1.23 0.00 0.00 0.00 178.15 179.82 1ocr h GLY 281 N 0.77 0.72 0.71 5.37 0.00 -0.48 0.20 103.07 110.36 1ocr h GLY 281 Ca 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1ocr h GLY 281 CO -0.04 0.17 -0.27 -2.75 0.00 0.00 0.00 176.54 173.65 1ocr h PHE 282 N 0.58 -0.69 -0.12 5.60 3.57 -0.43 -3.01 116.94 122.44 1ocr h PHE 282 Ca 0.21 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.73 1ocr h PHE 282 Cb 0.06 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1ocr h PHE 282 CO -0.08 -0.36 0.11 -0.07 -2.23 0.00 0.00 178.31 175.68 1ocr h LEU 283 N -1.05 0.00 0.00 0.59 3.38 -0.95 -2.03 115.31 115.24 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 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 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 -1.45 -0.47 0.54 0.83 0.00 0.05 -1.83 105.19 102.86 1ocr n GLY 284 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.18 0.00 -1.89 1.61 3.72 -0.76 -3.68 117.46 115.28 1ocr n PHE 285 Ca 0.05 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.50 1ocr n PHE 285 Cb 0.06 0.00 0.14 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 0.46 1.42 -0.50 4.37 -5.35 -0.76 -4.76 119.36 114.25 1ocr n ILE 286 Ca 0.09 -2.40 0.00 0.00 -0.27 0.00 0.00 62.75 60.16 1ocr n ILE 286 Cb 0.39 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 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 -0.57 0.07 -0.32 7.28 0.24 -1.25 -4.89 118.33 118.89 1ocr n VAL 287 Ca 0.14 -0.29 0.18 0.00 -2.04 0.00 0.00 64.34 62.33 1ocr n VAL 287 Cb 0.84 1.39 0.35 0.00 -1.47 0.00 0.00 33.84 34.96 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 0.28 0.00 6.34 0.09 -1.85 -1.95 115.95 118.86 1ocr h TRP 288 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 58.89 59.04 1ocr h TRP 288 Cb 0.32 0.04 0.00 0.00 0.08 0.00 0.00 29.16 29.60 1ocr h TRP 288 CO 0.00 -0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.17 1ocr n ALA 289 N -2.80 1.68 1.19 0.11 0.00 -1.26 -1.94 120.51 117.48 1ocr n ALA 289 Ca 0.26 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.77 1ocr n ALA 289 Cb 0.84 -1.08 0.58 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.99 0.00 -0.22 0.00 1.44 -0.73 -1.00 115.22 113.72 1ocr n HIS 290 Ca 0.03 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.86 1ocr n HIS 290 Cb 0.02 -0.08 0.31 0.00 0.12 0.00 0.00 29.99 30.36 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 -1.08 0.92 -2.64 -1.40 8.25 -0.82 -4.35 115.22 114.10 1ocr n HIS 291 Ca 0.14 -0.46 0.02 0.00 -0.26 0.00 0.00 57.72 57.16 1ocr n HIS 291 Cb 0.09 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.24 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 1.58 0.76 0.10 -0.41 2.00 -0.17 -4.89 117.12 116.10 1ocr n MET 292 Ca 0.24 -2.63 0.11 0.00 0.00 0.00 0.00 57.70 55.42 1ocr n MET 292 Cb 0.60 -0.68 0.46 0.00 0.00 0.00 0.00 33.22 33.60 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 -0.01 0.68 -0.41 2.03 3.72 -1.24 -2.65 117.46 119.58 1ocr n PHE 293 Ca 0.06 0.25 0.06 0.00 -0.05 0.00 0.00 57.45 57.77 1ocr n PHE 293 Cb 0.99 -0.91 0.19 0.00 -0.94 0.00 0.00 39.48 38.80 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 -2.11 1.37 0.33 4.37 -2.24 -1.26 -4.52 114.28 110.22 1ocr n THR 294 Ca 0.03 -1.25 0.12 0.00 -2.27 0.00 0.00 64.05 60.68 1ocr n THR 294 Cb 0.26 0.28 0.16 0.00 -2.10 0.00 0.00 70.33 68.93 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 2.00 0.00 0.00 2.28 2.07 -1.89 -3.48 116.25 117.23 1ocr h VAL 295 Ca 0.00 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1ocr h VAL 295 Cb 0.94 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1ocr h VAL 295 CO 0.07 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.27 1ocr n GLY 296 N 1.21 1.60 3.89 2.17 0.00 -1.26 -5.11 105.19 107.68 1ocr n GLY 296 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.49 3.68 0.57 1.61 1.00 -1.26 -5.01 119.30 119.41 1ocr s MET 297 Ca 0.00 0.33 -0.18 0.00 0.00 0.00 0.00 55.69 55.83 1ocr s MET 297 Cb 0.00 -2.41 -0.08 0.00 0.00 0.00 0.00 34.83 32.34 1ocr s MET 297 CO 0.00 -0.06 0.67 -0.25 0.00 0.00 0.00 175.02 175.38 1ocr n ASP 298 N -1.57 -0.43 -0.24 3.03 8.00 -1.26 -4.80 116.55 119.28 1ocr n ASP 298 Ca 0.01 0.77 -0.07 0.00 0.71 0.00 0.00 54.79 56.21 1ocr n ASP 298 Cb 0.54 -1.24 0.04 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 0.36 1.25 -0.76 2.53 3.04 -1.99 -2.47 116.25 118.21 1ocr h VAL 299 Ca -0.46 -0.90 0.03 0.00 -1.01 0.00 0.00 66.70 64.36 1ocr h VAL 299 Cb 1.39 0.58 -0.05 0.00 -2.01 0.00 0.00 31.29 31.20 1ocr h VAL 299 CO 0.49 0.35 0.49 0.44 -1.01 0.00 0.00 177.57 178.32 1ocr h ASP 300 N 0.98 0.80 0.78 3.17 3.32 -2.00 -0.36 116.42 123.12 1ocr h ASP 300 Ca 0.21 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 1ocr h ASP 300 Cb 0.33 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1ocr h ASP 300 CO -0.00 0.56 -0.34 0.71 -1.72 0.00 0.00 179.24 178.45 1ocr h THR 301 N 0.95 0.85 -0.02 0.35 1.35 -1.85 -1.60 112.91 112.93 1ocr h THR 301 Ca 0.30 -1.38 -0.14 0.00 -0.55 0.00 0.00 66.41 64.64 1ocr h THR 301 Cb 0.00 1.85 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 1ocr h THR 301 CO -0.11 0.33 -0.63 0.03 -0.25 0.00 0.00 175.52 174.89 1ocr h ARG 302 N 0.00 0.09 -0.25 4.72 3.08 -0.75 -1.61 114.38 119.66 1ocr h ARG 302 Ca -0.00 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.83 1ocr h ARG 302 Cb 0.82 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1ocr h ARG 302 CO 0.04 0.69 -0.46 0.00 -1.07 0.00 0.00 179.97 179.17 1ocr h ALA 303 N 1.30 0.71 0.39 0.04 0.00 -0.37 -2.44 119.26 118.90 1ocr h ALA 303 Ca -0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1ocr h ALA 303 Cb 1.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ocr h ALA 303 CO 0.09 0.67 -0.19 -0.92 0.00 0.00 0.00 179.25 178.90 1ocr h TYR 304 N 0.53 -0.49 -0.03 0.00 3.20 -1.06 -2.13 116.97 116.99 1ocr h TYR 304 Ca 0.03 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1ocr h TYR 304 Cb 1.00 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.43 1ocr h TYR 304 CO 0.05 -0.23 0.03 0.74 -1.64 0.00 0.00 178.16 177.11 1ocr h PHE 305 N -0.67 0.00 0.20 -3.82 0.04 -1.26 0.18 116.94 111.61 1ocr h PHE 305 Ca -0.05 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.39 1ocr h PHE 305 Cb 0.48 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.67 1ocr h PHE 305 CO -0.02 0.00 -1.39 1.79 -0.60 0.00 0.00 178.31 178.10 1ocr h THR 306 N 0.00 1.29 -0.02 -1.55 1.35 -1.34 -2.24 112.91 110.40 1ocr h THR 306 Ca 0.01 -2.61 0.01 0.00 -0.55 0.00 0.00 66.41 63.27 1ocr h THR 306 Cb 0.06 2.90 -0.01 0.00 -1.73 0.00 0.00 68.15 69.38 1ocr h THR 306 CO -0.00 0.79 -0.02 0.28 -0.25 0.00 0.00 175.52 176.32 1ocr h SER 307 N 0.20 -0.05 -0.58 5.36 0.02 -0.63 -2.39 113.55 115.49 1ocr h SER 307 Ca -0.23 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1ocr h SER 307 Cb 2.07 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 64.60 1ocr h SER 307 CO 0.26 -0.02 0.34 0.00 -1.14 0.00 0.00 176.83 176.27 1ocr h ALA 308 N 0.99 0.73 -0.40 3.77 0.00 -0.76 -2.55 119.26 121.05 1ocr h ALA 308 Ca 0.01 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ocr h ALA 308 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1ocr h ALA 308 CO -0.03 0.23 0.27 1.15 0.00 0.00 0.00 179.25 180.87 1ocr h THR 309 N 0.78 1.07 -0.04 0.00 2.02 -1.16 -2.74 112.91 112.85 1ocr h THR 309 Ca 0.21 -0.17 -0.12 0.00 0.77 0.00 0.00 66.41 67.10 1ocr h THR 309 Cb -0.00 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1ocr h THR 309 CO -0.04 0.09 -0.51 0.24 0.37 0.00 0.00 175.52 175.67 1ocr h MET 310 N 0.49 0.09 0.00 6.66 2.86 -0.99 -3.00 114.93 121.04 1ocr h MET 310 Ca 0.16 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1ocr h MET 310 Cb 0.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 1ocr h MET 310 CO -0.04 0.59 -0.00 -0.84 1.06 0.00 0.00 176.91 177.68 1ocr h ILE 311 N 0.07 0.01 0.00 -1.22 3.07 -1.47 -0.93 117.51 117.04 1ocr h ILE 311 Ca -0.00 -0.25 -0.00 0.00 1.55 0.00 0.00 64.86 66.16 1ocr h ILE 311 Cb 0.94 1.25 -0.00 0.00 -0.27 0.00 0.00 36.82 38.73 1ocr h ILE 311 CO 0.07 0.00 -0.00 0.40 -1.05 0.00 0.00 178.15 177.57 1ocr h ILE 312 N 0.00 0.06 0.00 0.16 2.04 -1.65 -1.11 117.51 117.02 1ocr h ILE 312 Ca -0.00 -0.03 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 1ocr h ILE 312 Cb 0.25 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1ocr h ILE 312 CO 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 178.15 177.77 1ocr h ALA 313 N 2.00 1.12 0.66 1.87 0.00 -1.37 -3.00 119.26 120.54 1ocr h ALA 313 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1ocr h ALA 313 Cb 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ocr h ALA 313 CO 0.00 0.48 -0.32 0.82 0.00 0.00 0.00 179.25 180.23 1ocr h ILE 314 N 0.00 0.00 0.00 0.00 2.04 -1.39 0.20 117.51 118.36 1ocr h ILE 314 Ca -0.00 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1ocr h ILE 314 Cb 0.80 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1ocr h ILE 314 CO 0.05 0.00 -0.00 1.55 0.00 0.00 0.00 178.15 179.75 1ocr h PRO 315 N -0.97 0.00 -0.10 2.37 0.13 -1.71 -0.11 132.00 131.62 1ocr h PRO 315 Ca -0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.91 1ocr h PRO 315 Cb 0.68 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1ocr h PRO 315 CO 0.15 0.00 -0.49 1.15 -0.23 0.00 0.00 178.00 178.58 1ocr h THR 316 N 0.00 1.34 -0.38 1.56 2.02 -1.39 -2.87 112.91 113.19 1ocr h THR 316 Ca -0.00 -1.72 -0.04 0.00 0.77 0.00 0.00 66.41 65.42 1ocr h THR 316 Cb 0.00 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 1ocr h THR 316 CO 0.00 0.51 0.07 1.23 0.37 0.00 0.00 175.52 177.70 1ocr h GLY 317 N 1.32 0.68 1.90 2.16 0.00 0.13 -1.81 103.07 107.44 1ocr h GLY 317 Ca 0.01 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 46.90 1ocr h GLY 317 CO 0.08 0.41 0.05 -0.39 0.00 0.00 0.00 176.54 176.70 1ocr h VAL 318 N 0.48 1.00 0.01 4.60 -1.51 -1.20 -0.70 116.25 118.93 1ocr h VAL 318 Ca 0.12 -0.03 -0.00 0.00 -1.23 0.00 0.00 66.70 65.56 1ocr h VAL 318 Cb 0.35 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 1ocr h VAL 318 CO 0.01 0.01 -0.00 0.11 -1.23 0.00 0.00 177.57 176.46 1ocr h LYS 319 N 0.07 -0.01 -0.56 5.19 1.57 -1.32 0.47 116.57 121.99 1ocr h LYS 319 Ca 0.03 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1ocr h LYS 319 Cb 0.04 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 1ocr h LYS 319 CO -0.00 0.45 0.29 0.28 -0.57 0.00 0.00 179.45 179.89 1ocr h VAL 320 N -0.48 0.95 -0.03 0.50 2.07 -0.71 -0.81 116.25 117.74 1ocr h VAL 320 Ca -0.00 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 1ocr h VAL 320 Cb 0.47 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1ocr h VAL 320 CO 0.00 0.10 -0.43 -0.26 0.02 0.00 0.00 177.57 177.01 1ocr h PHE 321 N 0.55 0.06 -0.19 1.57 0.04 -1.12 -2.68 116.94 115.17 1ocr h PHE 321 Ca 0.25 -0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.86 1ocr h PHE 321 Cb 0.16 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1ocr h PHE 321 CO -0.10 0.47 -0.48 0.77 -0.60 0.00 0.00 178.31 178.38 1ocr h SER 322 N 0.05 0.54 -0.63 2.17 0.02 0.18 0.03 113.55 115.90 1ocr h SER 322 Ca 0.00 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 1ocr h SER 322 Cb 0.77 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1ocr h SER 322 CO 0.06 0.93 0.24 -0.50 -1.14 0.00 0.00 176.83 176.42 1ocr h TRP 323 N 0.40 0.96 -0.56 3.45 6.55 -0.88 0.33 115.95 126.21 1ocr h TRP 323 Ca 0.02 -0.08 -0.07 0.00 0.95 0.00 0.00 58.89 59.71 1ocr h TRP 323 Cb 0.98 -0.29 -0.02 0.00 -0.86 0.00 0.00 29.16 28.97 1ocr h TRP 323 CO 0.04 0.76 0.06 -0.07 -1.05 0.00 0.00 178.44 178.18 1ocr h LEU 324 N 0.88 0.91 -1.77 -4.49 4.07 -1.29 -2.45 115.31 111.17 1ocr h LEU 324 Ca 0.21 -0.28 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 1ocr h LEU 324 Cb 0.22 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.71 1ocr h LEU 324 CO -0.02 0.96 -0.16 0.00 -1.08 0.00 0.00 178.44 178.15 1ocr h ALA 325 N 0.98 1.42 -0.26 1.53 0.00 -0.51 -1.85 119.26 120.58 1ocr h ALA 325 Ca 0.17 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1ocr h ALA 325 Cb 0.46 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ocr h ALA 325 CO 0.02 0.20 -0.45 1.15 0.00 0.00 0.00 179.25 180.17 1ocr h THR 326 N 0.00 1.30 -0.29 0.00 2.02 -0.53 -3.05 112.91 112.36 1ocr h THR 326 Ca -0.00 -1.65 -0.03 0.00 0.77 0.00 0.00 66.41 65.50 1ocr h THR 326 Cb 0.36 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1ocr h THR 326 CO 0.02 0.53 0.04 -0.07 0.37 0.00 0.00 175.52 176.41 1ocr h LEU 327 N 0.51 0.39 -9.09 2.58 3.38 -0.91 -3.41 115.31 108.77 1ocr h LEU 327 Ca 0.02 -0.05 -0.72 0.00 0.09 0.00 0.00 57.88 57.21 1ocr h LEU 327 Cb 1.05 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.71 1ocr h LEU 327 CO 0.10 0.42 0.97 1.57 0.09 0.00 0.00 178.44 181.60 1ocr n HIS 328 N -4.35 2.03 -0.95 1.13 -0.00 -0.91 -0.82 115.22 111.36 1ocr n HIS 328 Ca 0.01 0.47 0.00 0.00 0.46 0.00 0.00 57.72 58.66 1ocr n HIS 328 Cb 0.19 -2.48 0.00 0.00 -0.12 0.00 0.00 29.99 27.58 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 4.48 0.56 3.82 1.57 0.00 -1.26 -5.00 105.19 109.36 1ocr n GLY 329 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 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 1.62 -0.62 -0.02 0.00 -0.00 -4.97 107.32 101.33 1ocr s GLY 330 Ca 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 44.72 44.35 1ocr s GLY 330 CO 0.00 0.19 0.55 0.21 0.00 0.00 0.00 173.10 174.04 1ocr s ASN 331 N -3.98 6.23 -0.07 1.64 2.47 -0.06 -5.01 114.94 116.15 1ocr s ASN 331 Ca 0.60 -2.13 -0.30 0.00 0.42 0.00 0.00 52.86 51.46 1ocr s ASN 331 Cb -0.14 -2.16 -0.02 0.00 -1.45 0.00 0.00 41.25 37.48 1ocr s ASN 331 CO 0.54 -0.72 1.04 -0.63 -3.72 0.00 0.00 177.10 173.60 1ocr s ILE 332 N 1.06 4.69 -0.30 -5.21 1.09 -1.26 -3.90 121.20 117.36 1ocr s ILE 332 Ca 0.08 1.96 -0.10 0.00 -1.10 0.00 0.00 60.65 61.49 1ocr s ILE 332 Cb -0.23 -4.26 -0.02 0.00 -1.06 0.00 0.00 42.46 36.90 1ocr s ILE 332 CO -0.01 0.04 0.16 -0.54 -0.10 0.00 0.00 174.94 174.48 1ocr s LYS 333 N 1.83 3.49 -1.47 2.79 -0.14 -0.45 -5.00 119.74 120.78 1ocr s LYS 333 Ca 0.51 -0.62 -0.13 0.00 -1.36 0.00 0.00 55.97 54.36 1ocr s LYS 333 Cb -0.20 -3.57 0.03 0.00 -1.68 0.00 0.00 37.83 32.41 1ocr s LYS 333 CO 0.21 -0.35 2.31 0.91 -0.76 0.00 0.00 175.35 177.66 1ocr n TRP 334 N 5.00 3.35 -2.45 3.18 7.02 -1.26 -4.77 117.44 127.50 1ocr n TRP 334 Ca -0.14 -2.98 -0.26 0.00 -1.02 0.00 0.00 57.50 53.09 1ocr n TRP 334 Cb 0.50 -2.51 0.03 0.00 -2.42 0.00 0.00 31.31 26.91 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 2.90 5.65 0.14 -0.99 1.04 -1.26 -4.93 113.70 116.25 1ocr s SER 335 Ca 0.50 0.69 -0.19 0.00 0.48 0.00 0.00 55.95 57.43 1ocr s SER 335 Cb 0.14 -1.72 0.02 0.00 0.10 0.00 0.00 66.02 64.56 1ocr s SER 335 CO -0.08 -1.01 1.69 -0.65 0.98 0.00 0.00 173.24 174.17 1ocr h PRO 336 N -0.11 0.01 -0.97 4.02 0.11 -1.92 -0.73 132.00 132.41 1ocr h PRO 336 Ca -0.45 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.76 1ocr h PRO 336 Cb 1.25 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 1ocr h PRO 336 CO 0.60 0.00 0.60 0.00 -0.21 0.00 0.00 178.00 179.00 1ocr h ALA 337 N 1.27 1.43 -0.20 -0.75 0.00 -1.91 0.16 119.26 119.26 1ocr h ALA 337 Ca 0.13 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1ocr h ALA 337 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ocr h ALA 337 CO -0.28 0.24 -0.26 1.98 0.00 0.00 0.00 179.25 180.94 1ocr h MET 338 N 0.99 0.37 -0.44 0.00 -1.53 -1.47 -1.68 114.93 111.17 1ocr h MET 338 Ca 0.47 -0.13 -0.04 0.00 -3.44 0.00 0.00 59.70 56.55 1ocr h MET 338 Cb 0.40 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.41 1ocr h MET 338 CO -0.24 0.60 0.10 0.52 0.14 0.00 0.00 176.91 178.03 1ocr h MET 339 N 0.33 0.71 -0.81 0.39 2.86 0.27 -0.92 114.93 117.76 1ocr h MET 339 Ca 0.05 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1ocr h MET 339 Cb 0.63 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 1ocr h MET 339 CO 0.05 0.72 0.44 -1.49 1.06 0.00 0.00 176.91 177.69 1ocr h TRP 340 N 0.58 1.11 -0.41 -0.22 4.06 -0.81 -1.79 115.95 118.46 1ocr h TRP 340 Ca 0.14 -0.02 -0.15 0.00 2.06 0.00 0.00 58.89 60.91 1ocr h TRP 340 Cb 0.33 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 28.13 1ocr h TRP 340 CO 0.02 0.77 -0.33 0.00 -3.56 0.00 0.00 178.44 175.33 1ocr h ALA 341 N 1.36 0.63 -0.58 1.49 0.00 -0.99 -0.55 119.26 120.61 1ocr h ALA 341 Ca 0.29 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1ocr h ALA 341 Cb 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1ocr h ALA 341 CO -0.05 0.68 0.01 -0.07 0.00 0.00 0.00 179.25 179.82 1ocr h LEU 342 N 0.78 1.01 -0.28 0.00 3.38 -0.89 -1.80 115.31 117.50 1ocr h LEU 342 Ca 0.08 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1ocr h LEU 342 Cb 0.92 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1ocr h LEU 342 CO 0.09 1.06 0.17 1.23 0.09 0.00 0.00 178.44 181.08 1ocr h GLY 343 N 0.92 0.39 0.41 0.83 0.00 -1.13 -2.63 103.07 101.87 1ocr h GLY 343 Ca 0.17 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.40 1ocr h GLY 343 CO 0.03 0.13 -0.25 -2.75 0.00 0.00 0.00 176.54 173.70 1ocr h PHE 344 N 0.36 -0.66 -0.95 5.60 3.04 -0.90 0.11 116.94 123.54 1ocr h PHE 344 Ca 0.11 0.02 0.19 0.00 3.98 0.00 0.00 57.97 62.27 1ocr h PHE 344 Cb -0.02 0.29 -0.11 0.00 2.56 0.00 0.00 35.95 38.68 1ocr h PHE 344 CO -0.07 -0.33 0.54 0.82 -2.02 0.00 0.00 178.31 177.25 1ocr h ILE 345 N -0.37 0.67 0.01 1.41 2.04 -1.05 0.13 117.51 120.35 1ocr h ILE 345 Ca 0.07 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1ocr h ILE 345 Cb 0.46 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1ocr h ILE 345 CO -0.23 0.12 -0.01 0.15 0.00 0.00 0.00 178.15 178.19 1ocr h PHE 346 N 0.68 -0.02 -0.76 1.37 3.57 -1.04 -3.05 116.94 117.70 1ocr h PHE 346 Ca 0.55 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 62.14 1ocr h PHE 346 Cb 0.88 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.56 1ocr h PHE 346 CO -0.04 0.56 0.42 -0.07 -2.23 0.00 0.00 178.31 176.95 1ocr h LEU 347 N -0.99 0.60 -0.83 0.59 4.07 -0.76 -0.01 115.31 117.98 1ocr h LEU 347 Ca -0.00 0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 1ocr h LEU 347 Cb 0.58 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.22 1ocr h LEU 347 CO 0.00 0.36 0.39 0.15 -1.08 0.00 0.00 178.44 178.26 1ocr h PHE 348 N 0.73 1.20 -0.85 1.13 3.57 -0.90 -0.62 116.94 121.20 1ocr h PHE 348 Ca 0.36 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 1ocr h PHE 348 Cb 0.31 -0.37 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 1ocr h PHE 348 CO -0.08 0.87 0.46 1.15 -2.23 0.00 0.00 178.31 178.49 1ocr h THR 349 N 1.18 1.25 0.08 4.41 2.02 -0.92 0.11 112.91 121.03 1ocr h THR 349 Ca 0.28 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1ocr h THR 349 Cb 0.13 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1ocr h THR 349 CO -0.03 0.28 -0.04 0.58 0.37 0.00 0.00 175.52 176.68 1ocr h VAL 350 N 1.19 1.09 -0.19 3.16 2.07 -0.76 -1.43 116.25 121.38 1ocr h VAL 350 Ca 0.30 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1ocr h VAL 350 Cb 0.03 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1ocr h VAL 350 CO -0.05 0.15 0.04 1.23 0.02 0.00 0.00 177.57 178.96 1ocr h GLY 351 N -0.37 0.29 1.61 2.17 0.00 -0.89 -2.15 103.07 103.73 1ocr h GLY 351 Ca -0.01 -0.13 -0.21 0.00 0.00 0.00 0.00 47.33 46.98 1ocr h GLY 351 CO 0.02 0.13 -0.87 -1.33 0.00 0.00 0.00 176.54 174.49 1ocr h GLY 352 N 0.47 0.40 1.08 4.60 0.00 -0.56 -2.67 103.07 106.39 1ocr h GLY 352 Ca 0.07 -0.66 -0.12 0.00 0.00 0.00 0.00 47.33 46.62 1ocr h GLY 352 CO -0.00 0.58 -0.18 1.41 0.00 0.00 0.00 176.54 178.35 1ocr h LEU 353 N 0.21 0.98 -1.81 3.11 4.07 -0.89 -2.03 115.31 118.95 1ocr h LEU 353 Ca -0.06 -0.39 -0.01 0.00 0.08 0.00 0.00 57.88 57.50 1ocr h LEU 353 Cb 1.48 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.95 1ocr h LEU 353 CO 0.15 1.15 -0.03 0.74 -1.08 0.00 0.00 178.44 179.36 1ocr h THR 354 N 0.81 1.06 0.00 0.22 2.02 -1.39 0.18 112.91 115.81 1ocr h THR 354 Ca 0.11 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1ocr h THR 354 Cb 0.75 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1ocr h THR 354 CO 0.06 0.08 -0.10 1.23 0.37 0.00 0.00 175.52 177.16 1ocr h GLY 355 N 0.26 0.00 1.86 2.16 0.00 -1.01 -2.57 103.07 103.77 1ocr h GLY 355 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.17 1ocr h GLY 355 CO 0.00 0.00 -0.81 -2.22 0.00 0.00 0.00 176.54 173.51 1ocr h ILE 356 N 0.00 1.51 -0.05 2.60 1.08 -0.40 -2.34 117.51 119.91 1ocr h ILE 356 Ca -0.00 -2.57 -0.00 0.00 -0.39 0.00 0.00 64.86 61.90 1ocr h ILE 356 Cb 0.81 2.41 -0.00 0.00 -3.07 0.00 0.00 36.82 36.97 1ocr h ILE 356 CO 0.01 0.74 0.02 0.58 -0.69 0.00 0.00 178.15 178.82 1ocr h VAL 357 N 0.08 1.12 0.00 1.67 2.07 -1.06 -2.49 116.25 117.64 1ocr h VAL 357 Ca -0.03 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1ocr h VAL 357 Cb 1.42 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1ocr h VAL 357 CO 0.12 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.99 1ocr n LEU 358 N -4.98 0.65 0.24 2.57 4.77 -1.07 -2.24 117.00 116.95 1ocr n LEU 358 Ca -0.07 0.72 0.13 0.00 -0.03 0.00 0.00 56.01 56.76 1ocr n LEU 358 Cb 0.10 -0.69 0.51 0.00 -2.33 0.00 0.00 43.42 41.00 1ocr n LEU 358 CO 0.34 -0.75 0.87 0.00 -1.33 0.00 0.00 177.39 176.51 1ocr h ALA 359 N 2.14 1.00 -1.83 -1.18 0.00 -0.93 -3.42 119.26 115.04 1ocr h ALA 359 Ca 0.00 -0.12 -0.57 0.00 0.00 0.00 0.00 54.91 54.23 1ocr h ALA 359 Cb 0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1ocr h ALA 359 CO 0.00 0.16 1.08 -0.80 0.00 0.00 0.00 179.25 179.69 1ocr s ASN 360 N -6.01 6.35 0.30 0.00 0.01 -0.95 -4.43 114.94 110.20 1ocr s ASN 360 Ca 0.01 0.97 -0.00 0.00 -0.71 0.00 0.00 52.86 53.13 1ocr s ASN 360 Cb 0.09 -2.54 0.49 0.00 0.41 0.00 0.00 41.25 39.71 1ocr s ASN 360 CO 0.61 -1.40 1.94 0.77 -1.51 0.00 0.00 177.10 177.51 1ocr h SER 361 N 10.70 0.92 0.35 -1.22 4.64 -1.87 0.42 113.55 127.49 1ocr h SER 361 Ca -0.28 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 1ocr h SER 361 Cb 1.11 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1ocr h SER 361 CO 1.07 0.63 -0.24 0.77 -0.87 0.00 0.00 176.83 178.19 1ocr h SER 362 N 1.07 -0.62 0.53 4.97 4.64 -1.96 -2.45 113.55 119.73 1ocr h SER 362 Ca 0.35 0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.62 1ocr h SER 362 Cb 0.04 0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1ocr h SER 362 CO -0.11 -0.38 -0.44 0.25 -0.87 0.00 0.00 176.83 175.28 1ocr h LEU 363 N -0.59 0.00 -2.06 5.97 5.85 -1.83 -2.79 115.31 119.86 1ocr h LEU 363 Ca -0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1ocr h LEU 363 Cb 0.50 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1ocr h LEU 363 CO 0.02 0.44 -0.00 -0.78 -0.34 0.00 0.00 178.44 177.78 1ocr h ASP 364 N 0.00 0.00 -0.32 1.25 3.58 0.31 -2.67 116.42 118.57 1ocr h ASP 364 Ca -0.00 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.51 1ocr h ASP 364 Cb 0.83 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.82 1ocr h ASP 364 CO 0.06 0.00 -0.05 0.40 -2.88 0.00 0.00 179.24 176.77 1ocr h ILE 365 N 0.00 0.71 0.00 2.25 1.08 -1.20 1.05 117.51 121.39 1ocr h ILE 365 Ca -0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1ocr h ILE 365 Cb 0.31 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 34.74 1ocr h ILE 365 CO 0.00 0.01 -0.44 0.55 -0.69 0.00 0.00 178.15 177.58 1ocr n VAL 366 N -5.23 0.19 -0.05 1.67 3.14 -1.03 -3.96 118.33 113.06 1ocr n VAL 366 Ca 0.00 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1ocr n VAL 366 Cb 0.18 -0.08 -0.16 0.00 -1.06 0.00 0.00 33.84 32.72 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 -1.81 0.00 -4.61 6.55 4.77 -0.86 -4.87 117.00 116.18 1ocr n LEU 367 Ca 0.05 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 1ocr n LEU 367 Cb 0.39 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1ocr n LEU 367 CO 0.34 0.25 0.59 1.57 -1.33 0.00 0.00 177.39 178.81 1ocr n HIS 368 N -2.49 1.25 -1.68 -1.77 -0.00 0.36 -1.70 115.22 109.19 1ocr n HIS 368 Ca -0.18 0.61 -0.18 0.00 0.46 0.00 0.00 57.72 58.42 1ocr n HIS 368 Cb 0.85 -2.24 -0.07 0.00 -0.12 0.00 0.00 29.99 28.41 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 0.81 -4.93 -4.85 0.26 8.00 -1.26 -4.97 116.55 109.61 1ocr n ASP 369 Ca 0.09 0.39 -0.26 0.00 0.71 0.00 0.00 54.79 55.71 1ocr n ASP 369 Cb 0.36 -4.36 -0.03 0.00 -0.02 0.00 0.00 41.12 37.07 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 -2.62 1.81 -1.17 -3.53 -4.23 -0.69 -1.81 115.64 103.40 1ocr s THR 370 Ca 0.00 -1.59 0.14 0.00 -1.18 0.00 0.00 61.69 59.05 1ocr s THR 370 Cb 0.00 -2.41 0.17 0.00 1.34 0.00 0.00 72.50 71.60 1ocr s THR 370 CO 0.00 0.00 1.41 -1.22 -0.54 0.00 0.00 174.62 174.27 1ocr n TYR 371 N -1.56 0.00 0.08 3.99 4.02 -0.73 -2.31 117.16 120.65 1ocr n TYR 371 Ca -0.04 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.87 1ocr n TYR 371 Cb 0.64 -0.41 0.34 0.00 -0.02 0.00 0.00 39.34 39.89 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 0.34 0.00 -0.72 3.20 -1.83 0.40 116.97 118.37 1ocr h TYR 372 Ca 0.00 -0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.65 1ocr h TYR 372 Cb 0.19 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1ocr h TYR 372 CO 0.00 0.45 -0.85 -0.24 -1.64 0.00 0.00 178.16 175.87 1ocr h VAL 373 N 0.31 1.54 -0.20 1.81 3.04 -1.69 -2.24 116.25 118.81 1ocr h VAL 373 Ca 0.06 -3.01 -0.08 0.00 -1.01 0.00 0.00 66.70 62.67 1ocr h VAL 373 Cb 0.41 2.65 -0.01 0.00 -2.01 0.00 0.00 31.29 32.33 1ocr h VAL 373 CO 0.02 0.84 -0.21 0.58 -1.01 0.00 0.00 177.57 177.79 1ocr h VAL 374 N 0.00 1.24 -0.19 1.51 2.07 -1.39 -2.12 116.25 117.37 1ocr h VAL 374 Ca -0.01 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 1ocr h VAL 374 Cb 1.59 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1ocr h VAL 374 CO 0.11 0.34 -0.08 0.00 0.02 0.00 0.00 177.57 177.96 1ocr h ALA 375 N 1.46 0.26 0.18 1.67 0.00 -0.75 -2.72 119.26 119.36 1ocr h ALA 375 Ca 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ocr h ALA 375 Cb 0.55 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ocr h ALA 375 CO 0.04 0.07 -0.26 1.25 0.00 0.00 0.00 179.25 180.35 1ocr h HIS 376 N 0.08 -0.74 0.00 0.00 6.17 -1.02 -1.73 115.15 117.91 1ocr h HIS 376 Ca 0.04 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.13 1ocr h HIS 376 Cb 0.56 0.30 0.00 0.00 2.52 0.00 0.00 27.41 30.78 1ocr h HIS 376 CO 0.06 -0.33 0.00 0.27 0.71 0.00 0.00 177.93 178.65 1ocr h PHE 377 N -0.46 0.00 0.00 5.26 -5.15 -1.50 -1.05 116.94 114.04 1ocr h PHE 377 Ca -0.02 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.60 1ocr h PHE 377 Cb 0.42 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.57 1ocr h PHE 377 CO -0.24 0.00 -0.93 0.45 -2.00 0.00 0.00 178.31 175.59 1ocr h HIS 378 N 0.00 0.00 0.12 6.09 3.86 -1.22 -1.18 115.15 122.82 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 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1ocr h HIS 378 CO 0.00 0.62 -0.06 1.88 0.86 0.00 0.00 177.93 181.23 1ocr h TYR 379 N 0.00 -0.15 0.00 2.45 -1.99 -0.28 0.52 116.97 117.52 1ocr h TYR 379 Ca -0.07 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.61 1ocr h TYR 379 Cb 1.53 0.05 -0.01 0.00 2.00 0.00 0.00 36.73 40.30 1ocr h TYR 379 CO 0.00 0.29 -0.20 -0.39 -0.00 0.00 0.00 178.16 177.86 1ocr h VAL 380 N -0.64 0.47 0.00 -2.88 -1.51 -1.51 -2.49 116.25 107.69 1ocr h VAL 380 Ca -0.02 -1.10 -0.41 0.00 -1.23 0.00 0.00 66.70 63.94 1ocr h VAL 380 Cb 0.50 1.78 -0.06 0.00 -2.13 0.00 0.00 31.29 31.38 1ocr h VAL 380 CO 0.03 0.20 -2.37 0.18 -1.23 0.00 0.00 177.57 174.37 1ocr n LEU 381 N -3.33 1.96 0.19 4.19 4.77 -0.45 -2.73 117.00 121.60 1ocr n LEU 381 Ca 0.00 0.34 0.13 0.00 -0.03 0.00 0.00 56.01 56.46 1ocr n LEU 381 Cb 0.44 -0.81 0.39 0.00 -2.33 0.00 0.00 43.42 41.10 1ocr n LEU 381 CO 0.33 0.48 0.88 -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 -1.06 -2.16 113.55 108.77 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 -2.76 0.91 0.00 2.24 2.81 -0.96 -4.42 117.12 114.95 1ocr n MET 383 Ca 0.03 -0.87 0.00 0.00 -1.81 0.00 0.00 57.70 55.05 1ocr n MET 383 Cb 0.42 -0.89 0.00 0.00 -0.71 0.00 0.00 33.22 32.04 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 -0.21 0.15 0.38 3.03 0.00 -1.11 -4.39 105.19 103.04 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 -0.46 -0.14 -0.82 4.61 0.00 -1.29 -0.48 119.26 120.68 1ocr h ALA 385 Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ocr h ALA 385 Cb 0.00 0.93 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1ocr h ALA 385 CO 0.00 -0.74 0.54 0.28 0.00 0.00 0.00 179.25 179.33 1ocr h VAL 386 N -0.15 1.19 -0.39 0.00 2.07 -1.62 -0.21 116.25 117.14 1ocr h VAL 386 Ca 0.23 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1ocr h VAL 386 Cb 0.56 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1ocr h VAL 386 CO -0.76 0.20 -0.12 -0.26 0.02 0.00 0.00 177.57 176.65 1ocr h PHE 387 N 1.09 0.76 -0.24 1.57 -1.00 -1.34 -0.22 116.94 117.55 1ocr h PHE 387 Ca 0.31 -0.13 -0.05 0.00 2.81 0.00 0.00 57.97 60.90 1ocr h PHE 387 Cb -0.09 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.26 1ocr h PHE 387 CO -0.02 0.78 -0.06 0.00 -1.61 0.00 0.00 178.31 177.41 1ocr h ALA 388 N 1.24 0.34 -0.99 2.45 0.00 -0.65 -1.05 119.26 120.59 1ocr h ALA 388 Ca 0.11 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.86 1ocr h ALA 388 Cb 0.57 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 1ocr h ALA 388 CO 0.04 0.13 0.63 0.82 0.00 0.00 0.00 179.25 180.87 1ocr h ILE 389 N 0.21 0.96 -0.11 0.00 2.04 -0.61 0.18 117.51 120.17 1ocr h ILE 389 Ca 0.06 -0.35 -0.11 0.00 1.00 0.00 0.00 64.86 65.46 1ocr h ILE 389 Cb 0.52 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1ocr h ILE 389 CO 0.02 0.18 -0.37 0.24 0.00 0.00 0.00 178.15 178.23 1ocr h MET 390 N 1.01 0.45 -0.22 2.37 2.86 -0.80 -1.18 114.93 119.42 1ocr h MET 390 Ca 0.47 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1ocr h MET 390 Cb 0.43 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1ocr h MET 390 CO -0.23 0.96 0.14 0.78 1.06 0.00 0.00 176.91 179.61 1ocr h GLY 391 N 0.04 0.31 1.25 8.32 0.00 -0.60 -1.23 103.07 111.16 1ocr h GLY 391 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1ocr h GLY 391 CO 0.08 0.12 0.40 -1.33 0.00 0.00 0.00 176.54 175.82 1ocr h GLY 392 N 0.28 1.05 0.78 4.60 0.00 -0.68 -1.41 103.07 107.68 1ocr h GLY 392 Ca 0.08 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1ocr h GLY 392 CO -0.02 0.44 0.01 -2.75 0.00 0.00 0.00 176.54 174.22 1ocr h PHE 393 N 0.99 0.20 0.00 5.60 3.57 -0.61 -1.30 116.94 125.39 1ocr h PHE 393 Ca 0.26 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 1ocr h PHE 393 Cb 0.00 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1ocr h PHE 393 CO 0.01 0.40 -0.31 -0.39 -2.23 0.00 0.00 178.31 175.79 1ocr h VAL 394 N -0.07 0.77 -0.03 1.41 -1.51 -1.01 0.45 116.25 116.27 1ocr h VAL 394 Ca 0.03 -1.33 -0.14 0.00 -1.23 0.00 0.00 66.70 64.04 1ocr h VAL 394 Cb 0.32 1.84 0.01 0.00 -2.13 0.00 0.00 31.29 31.33 1ocr h VAL 394 CO 0.00 0.30 -0.52 -0.74 -1.23 0.00 0.00 177.57 175.39 1ocr h HIS 395 N 0.00 0.59 -0.01 5.19 -0.00 -1.12 -3.34 115.15 116.46 1ocr h HIS 395 Ca -0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 1ocr h HIS 395 Cb 0.81 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.15 1ocr h HIS 395 CO 0.00 1.10 -0.48 0.91 -0.00 0.00 0.00 177.93 179.45 1ocr n TRP 396 N -4.27 0.00 -0.27 5.26 8.01 -0.50 -4.40 117.44 121.26 1ocr n TRP 396 Ca -0.10 0.00 0.08 0.00 -1.31 0.00 0.00 57.50 56.17 1ocr n TRP 396 Cb 0.62 -0.05 0.23 0.00 -2.01 0.00 0.00 31.31 30.10 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 1.60 0.53 -0.08 -5.99 3.57 -1.02 0.13 116.94 115.68 1ocr h PHE 397 Ca 0.00 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1ocr h PHE 397 Cb 0.63 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1ocr h PHE 397 CO 0.00 0.01 -0.15 -1.35 -2.23 0.00 0.00 178.31 174.59 1ocr h PRO 398 N 0.41 0.12 -0.24 6.41 0.11 -1.77 0.20 132.00 137.25 1ocr h PRO 398 Ca 0.46 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 66.39 1ocr h PRO 398 Cb 0.78 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 1ocr h PRO 398 CO -0.46 0.28 -0.52 1.25 -0.21 0.00 0.00 178.00 178.34 1ocr h LEU 399 N 0.11 0.74 -0.11 2.35 5.85 -1.09 0.25 115.31 123.41 1ocr h LEU 399 Ca 0.02 -0.38 -0.24 0.00 0.84 0.00 0.00 57.88 58.12 1ocr h LEU 399 Cb 0.35 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.18 1ocr h LEU 399 CO 0.02 1.12 -0.87 -0.26 -0.34 0.00 0.00 178.44 178.11 1ocr h PHE 400 N 0.52 1.06 0.00 1.25 0.04 -0.47 -3.38 116.94 115.96 1ocr h PHE 400 Ca 0.02 -0.50 -0.37 0.00 2.80 0.00 0.00 57.97 59.91 1ocr h PHE 400 Cb 1.08 -0.15 -0.07 0.00 2.20 0.00 0.00 35.95 39.01 1ocr h PHE 400 CO 0.05 1.34 -2.41 -1.13 -0.60 0.00 0.00 178.31 175.56 1ocr n SER 401 N -3.91 0.66 0.00 2.17 3.41 -0.01 -4.77 113.62 111.18 1ocr n SER 401 Ca -0.09 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1ocr n SER 401 Cb 0.79 0.54 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 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 1.92 0.70 3.55 5.00 0.00 0.88 -4.50 105.19 112.74 1ocr n GLY 402 Ca -0.37 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.57 2.45 0.19 1.61 2.02 -1.26 -1.64 117.35 118.15 1ocr s TYR 403 Ca 0.00 -0.32 0.08 0.00 -0.37 0.00 0.00 57.07 56.45 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 0.65 0.01 0.95 -1.57 0.00 0.00 175.55 175.59 1ocr s THR 404 N -2.46 3.73 0.50 -0.71 -4.23 -0.90 -3.76 115.64 107.81 1ocr s THR 404 Ca 0.31 -1.48 -0.03 0.00 -1.18 0.00 0.00 61.69 59.31 1ocr s THR 404 Cb -0.04 -2.90 -0.01 0.00 1.34 0.00 0.00 72.50 70.89 1ocr s THR 404 CO 0.17 -0.15 0.76 -0.76 -0.54 0.00 0.00 174.62 174.10 1ocr s LEU 405 N -3.08 3.52 -0.64 4.79 1.43 -1.26 -4.69 118.68 118.75 1ocr s LEU 405 Ca 0.28 0.57 -0.24 0.00 -1.03 0.00 0.00 54.13 53.70 1ocr s LEU 405 Cb -0.09 -3.44 0.05 0.00 0.03 0.00 0.00 46.19 42.74 1ocr s LEU 405 CO 0.19 -0.78 1.04 0.21 0.23 0.00 0.00 176.35 177.25 1ocr s ASN 406 N -4.22 6.23 0.43 2.29 3.84 -1.26 -4.89 114.94 117.36 1ocr s ASN 406 Ca 0.50 -0.63 0.24 0.00 0.21 0.00 0.00 52.86 53.18 1ocr s ASN 406 Cb -0.10 -2.46 1.26 0.00 -0.55 0.00 0.00 41.25 39.40 1ocr s ASN 406 CO 0.42 -1.48 1.72 0.44 -2.79 0.00 0.00 177.10 175.41 1ocr h ASP 407 N 9.60 0.33 -0.11 -4.21 5.19 -1.99 -1.99 116.42 123.24 1ocr h ASP 407 Ca -0.28 0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.19 1ocr h ASP 407 Cb 1.07 0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.63 1ocr h ASP 407 CO 1.18 -0.02 -0.07 0.74 -3.12 0.00 0.00 179.24 177.94 1ocr h THR 408 N 0.25 1.34 -0.89 0.35 2.02 -2.00 -2.37 112.91 111.61 1ocr h THR 408 Ca 0.68 -1.16 0.04 0.00 0.77 0.00 0.00 66.41 66.73 1ocr h THR 408 Cb 1.98 1.88 -0.05 0.00 -1.74 0.00 0.00 68.15 70.21 1ocr h THR 408 CO -0.32 0.33 0.58 -0.50 0.37 0.00 0.00 175.52 175.98 1ocr h TRP 409 N -0.14 1.08 -0.93 3.16 -0.00 -1.80 -0.69 115.95 116.63 1ocr h TRP 409 Ca 0.02 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 58.98 1ocr h TRP 409 Cb 0.56 -0.36 -0.06 0.00 -0.00 0.00 0.00 29.16 29.31 1ocr h TRP 409 CO 0.08 0.62 0.61 0.00 -0.00 0.00 0.00 178.44 179.74 1ocr h ALA 410 N 1.37 1.43 -0.12 1.49 0.00 -1.31 0.20 119.26 122.33 1ocr h ALA 410 Ca 0.36 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.07 1ocr h ALA 410 Cb 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1ocr h ALA 410 CO -0.12 0.46 -0.62 0.87 0.00 0.00 0.00 179.25 179.84 1ocr h LYS 411 N 1.13 0.42 -0.04 0.00 1.57 -0.73 -1.07 116.57 117.86 1ocr h LYS 411 Ca 0.38 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1ocr h LYS 411 Cb 0.07 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1ocr h LYS 411 CO -0.13 0.91 0.02 0.82 -0.57 0.00 0.00 179.45 180.50 1ocr h ILE 412 N 0.31 1.07 -0.42 1.86 2.04 0.29 -1.29 117.51 121.37 1ocr h ILE 412 Ca -0.01 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.72 1ocr h ILE 412 Cb 1.16 1.16 -0.08 0.00 -0.74 0.00 0.00 36.82 38.31 1ocr h ILE 412 CO 0.11 0.06 -0.13 -0.74 0.00 0.00 0.00 178.15 177.45 1ocr h HIS 413 N -0.03 -0.29 -0.09 1.37 2.76 -0.41 -1.29 115.15 117.17 1ocr h HIS 413 Ca 0.01 0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1ocr h HIS 413 Cb 0.08 0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.21 1ocr h HIS 413 CO -0.05 -0.21 -0.06 0.35 -1.30 0.00 0.00 177.93 176.67 1ocr h PHE 414 N -0.03 -0.14 -0.64 5.26 3.57 -0.86 -2.10 116.94 121.99 1ocr h PHE 414 Ca 0.20 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.83 1ocr h PHE 414 Cb 0.34 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.08 1ocr h PHE 414 CO -0.39 -0.10 0.20 0.00 -2.23 0.00 0.00 178.31 175.80 1ocr h ALA 415 N 1.02 0.81 0.16 2.41 0.00 -0.13 0.74 119.26 124.26 1ocr h ALA 415 Ca 0.06 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ocr h ALA 415 Cb 0.15 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ocr h ALA 415 CO -0.13 -0.24 -0.08 0.82 0.00 0.00 0.00 179.25 179.62 1ocr h ILE 416 N 0.35 0.92 -0.76 0.00 2.04 -1.14 -2.66 117.51 116.26 1ocr h ILE 416 Ca 0.33 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1ocr h ILE 416 Cb 0.47 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 1ocr h ILE 416 CO -0.37 0.07 0.50 -0.03 0.00 0.00 0.00 178.15 178.33 1ocr h MET 417 N -0.36 0.91 -0.82 2.37 4.05 -1.03 -0.11 114.93 119.94 1ocr h MET 417 Ca -0.02 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.32 1ocr h MET 417 Cb 0.28 -0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 30.84 1ocr h MET 417 CO 0.04 0.60 0.42 0.35 0.23 0.00 0.00 176.91 178.55 1ocr h PHE 418 N 0.94 1.15 0.04 1.39 3.57 -0.69 -2.14 116.94 121.20 1ocr h PHE 418 Ca 0.30 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 1ocr h PHE 418 Cb 0.04 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.41 1ocr h PHE 418 CO -0.00 0.81 -0.02 0.28 -2.23 0.00 0.00 178.31 177.16 1ocr h VAL 419 N 1.16 1.38 -0.20 1.41 2.07 -0.99 -3.22 116.25 117.86 1ocr h VAL 419 Ca 0.29 -1.53 0.04 0.00 0.82 0.00 0.00 66.70 66.31 1ocr h VAL 419 Cb 0.07 2.36 -0.07 0.00 -1.52 0.00 0.00 31.29 32.13 1ocr h VAL 419 CO -0.04 0.38 -0.53 1.23 0.02 0.00 0.00 177.57 178.62 1ocr h GLY 420 N -0.75 -1.01 1.28 2.17 0.00 -0.99 -1.25 103.07 102.53 1ocr h GLY 420 Ca -0.00 0.67 0.02 0.00 0.00 0.00 0.00 47.33 48.01 1ocr h GLY 420 CO 0.01 -0.18 0.45 -0.39 0.00 0.00 0.00 176.54 176.43 1ocr h VAL 421 N -0.53 1.14 -0.21 4.60 -1.51 -1.53 -0.27 116.25 117.94 1ocr h VAL 421 Ca 0.05 -0.30 -0.20 0.00 -1.23 0.00 0.00 66.70 65.02 1ocr h VAL 421 Cb 0.66 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.01 1ocr h VAL 421 CO -0.47 0.16 -0.66 0.78 -1.23 0.00 0.00 177.57 176.14 1ocr h ASN 422 N 0.88 0.90 -0.77 4.19 2.35 -1.49 -0.93 115.58 120.70 1ocr h ASN 422 Ca 0.26 -0.53 -0.05 0.00 -0.55 0.00 0.00 56.30 55.43 1ocr h ASN 422 Cb -0.03 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.04 1ocr h ASN 422 CO -0.06 1.32 0.29 -0.03 -1.65 0.00 0.00 177.43 177.30 1ocr h MET 423 N 0.57 1.16 -0.01 0.81 4.05 -0.71 0.47 114.93 121.26 1ocr h MET 423 Ca -0.02 -0.22 -0.00 0.00 -0.28 0.00 0.00 59.70 59.18 1ocr h MET 423 Cb 1.27 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.89 1ocr h MET 423 CO 0.14 0.95 0.00 1.15 0.23 0.00 0.00 176.91 179.38 1ocr h THR 424 N 1.12 1.21 0.00 -0.77 2.02 -0.89 -3.38 112.91 112.21 1ocr h THR 424 Ca 0.25 -0.63 -0.13 0.00 0.77 0.00 0.00 66.41 66.68 1ocr h THR 424 Cb 0.24 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1ocr h THR 424 CO -0.02 0.17 -2.00 0.49 0.37 0.00 0.00 175.52 174.52 1ocr n PHE 425 N -4.95 0.15 -0.10 3.16 3.72 -0.37 -4.46 117.46 114.61 1ocr n PHE 425 Ca -0.08 0.05 -0.07 0.00 -0.05 0.00 0.00 57.45 57.30 1ocr n PHE 425 Cb 0.15 -0.73 0.00 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 0.32 -0.96 1.38 3.57 -1.08 -2.60 116.94 117.58 1ocr h PHE 426 Ca -0.18 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.47 1ocr h PHE 426 Cb 1.43 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.99 1ocr h PHE 426 CO 0.00 0.18 0.61 -1.35 -2.23 0.00 0.00 178.31 175.51 1ocr h PRO 427 N 0.36 0.81 0.00 6.41 0.11 -1.77 -1.36 132.00 136.56 1ocr h PRO 427 Ca 0.14 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1ocr h PRO 427 Cb 0.05 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.97 1ocr h PRO 427 CO -0.09 0.54 0.25 1.96 -0.21 0.00 0.00 178.00 180.44 1ocr h GLN 428 N 0.83 0.00 -0.25 1.05 4.20 -1.68 0.21 115.11 119.48 1ocr h GLN 428 Ca 0.49 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 59.07 1ocr h GLN 428 Cb 0.65 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1ocr h GLN 428 CO -0.26 0.00 -0.37 0.45 -0.67 0.00 0.00 178.83 177.99 1ocr h HIS 429 N 0.00 0.66 -0.03 2.96 3.86 -1.36 -2.68 115.15 118.56 1ocr h HIS 429 Ca 0.00 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1ocr h HIS 429 Cb 0.50 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 1ocr h HIS 429 CO 0.00 0.85 0.00 0.74 0.86 0.00 0.00 177.93 180.38 1ocr h PHE 430 N 0.47 0.05 -0.83 2.45 0.04 -0.77 -2.31 116.94 116.03 1ocr h PHE 430 Ca 0.05 -0.01 0.15 0.00 2.80 0.00 0.00 57.97 60.96 1ocr h PHE 430 Cb 0.86 -0.01 -0.10 0.00 2.20 0.00 0.00 35.95 38.90 1ocr h PHE 430 CO 0.03 0.33 0.40 -0.07 -0.60 0.00 0.00 178.31 178.41 1ocr h LEU 431 N -0.24 0.46 -0.06 1.54 3.38 -1.41 -0.22 115.31 118.76 1ocr h LEU 431 Ca 0.01 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1ocr h LEU 431 Cb 0.31 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ocr h LEU 431 CO 0.00 0.17 -0.05 1.23 0.09 0.00 0.00 178.44 179.89 1ocr h GLY 432 N 0.56 0.14 0.86 0.83 0.00 -1.40 0.93 103.07 105.00 1ocr h GLY 432 Ca 0.46 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.69 1ocr h GLY 432 CO -0.39 0.13 0.66 1.41 0.00 0.00 0.00 176.54 178.35 1ocr h LEU 433 N -0.30 1.09 -0.09 3.11 3.38 -0.84 -0.16 115.31 121.50 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 0.53 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ocr h LEU 433 CO 0.01 0.74 0.00 -1.54 0.09 0.00 0.00 178.44 177.74 1ocr n SER 434 N -4.45 0.13 0.00 -0.43 3.41 -0.14 -4.92 113.62 107.22 1ocr n SER 434 Ca 0.14 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 1ocr n SER 434 Cb 0.11 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.87 0.59 3.65 5.00 0.00 -0.07 -5.04 105.19 110.20 1ocr n GLY 435 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.99 4.12 0.98 1.61 0.00 0.25 -4.96 119.30 120.32 1ocr s MET 436 Ca 0.00 1.98 -0.12 0.00 0.00 0.00 0.00 55.69 57.55 1ocr s MET 436 Cb 0.00 -3.95 0.18 0.00 0.00 0.00 0.00 34.83 31.06 1ocr s MET 436 CO 0.00 -0.90 1.08 -2.14 0.00 0.00 0.00 175.02 173.06 1ocr s PRO 437 N 4.04 0.56 0.42 4.11 0.02 -1.26 -1.77 135.00 141.12 1ocr s PRO 437 Ca 0.69 0.91 0.01 0.00 0.02 0.00 0.00 61.00 62.63 1ocr s PRO 437 Cb -0.29 -1.72 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 1ocr s PRO 437 CO 0.26 -2.75 0.63 1.03 -0.33 0.00 0.00 177.00 175.85 1ocr s ARG 438 N -4.77 3.17 -1.39 5.54 0.52 -0.75 -4.42 118.95 116.85 1ocr s ARG 438 Ca 0.65 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 55.38 1ocr s ARG 438 Cb -0.21 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.67 1ocr s ARG 438 CO 0.59 -0.15 0.00 0.54 0.02 0.00 0.00 175.30 176.30 1ocr n ARG 439 N -1.98 -1.25 -4.37 3.54 1.74 -1.26 -4.99 116.66 108.08 1ocr n ARG 439 Ca -0.00 0.80 -0.35 0.00 -0.77 0.00 0.00 57.85 57.53 1ocr n ARG 439 Cb 0.57 -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 -2.77 3.15 -1.77 -1.55 1.51 -1.26 -4.99 117.35 109.67 1ocr s TYR 440 Ca 0.00 0.18 0.25 0.00 -1.01 0.00 0.00 57.07 56.48 1ocr s TYR 440 Cb 0.00 -1.77 0.39 0.00 -0.11 0.00 0.00 41.96 40.46 1ocr s TYR 440 CO 0.00 0.46 1.33 -1.13 -1.11 0.00 0.00 175.55 175.11 1ocr n SER 441 N 2.07 1.37 -3.70 2.29 3.41 -1.26 -4.94 113.62 112.85 1ocr n SER 441 Ca -0.18 -1.09 -0.10 0.00 -0.26 0.00 0.00 58.87 57.24 1ocr n SER 441 Cb 0.53 0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.78 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 -2.56 -0.33 0.02 4.04 -1.08 -1.26 -4.71 116.67 110.80 1ocr s ASP 442 Ca 0.20 -0.41 -0.11 0.00 -0.52 0.00 0.00 52.55 51.71 1ocr s ASP 442 Cb 0.18 0.62 0.01 0.00 -1.46 0.00 0.00 42.92 42.28 1ocr s ASP 442 CO 0.57 -1.11 0.24 -0.72 0.52 0.00 0.00 175.17 174.68 1ocr s TYR 443 N -3.86 -0.04 0.48 -5.34 -0.85 -1.26 -5.08 117.35 101.40 1ocr s TYR 443 Ca 0.08 -0.07 -0.22 0.00 -0.52 0.00 0.00 57.07 56.34 1ocr s TYR 443 Cb -0.02 0.03 -0.09 0.00 0.38 0.00 0.00 41.96 42.26 1ocr s TYR 443 CO -0.03 -0.42 0.94 -2.30 -1.52 0.00 0.00 175.55 172.22 1ocr n PRO 444 N 0.89 1.14 -0.35 -3.49 -0.02 -1.26 -4.83 135.00 127.08 1ocr n PRO 444 Ca -0.20 0.42 0.27 0.00 -2.02 0.00 0.00 63.50 61.97 1ocr n PRO 444 Cb 0.58 -2.03 0.57 0.00 -0.02 0.00 0.00 33.50 32.60 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 1.14 0.34 -0.40 2.55 3.32 -2.03 -2.35 116.42 119.00 1ocr h ASP 445 Ca -0.45 0.08 0.12 0.00 0.02 0.00 0.00 57.03 56.79 1ocr h ASP 445 Cb 1.35 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.92 1ocr h ASP 445 CO 0.54 0.02 0.36 0.00 -1.72 0.00 0.00 179.24 178.44 1ocr h ALA 446 N 1.59 2.19 -0.34 3.45 0.00 -2.05 -1.36 119.26 122.74 1ocr h ALA 446 Ca 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1ocr h ALA 446 Cb 1.84 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1ocr h ALA 446 CO -0.29 -0.56 0.00 0.66 0.00 0.00 0.00 179.25 179.06 1ocr n TYR 447 N -4.00 1.15 -0.04 0.00 4.01 -0.88 -4.50 117.16 112.89 1ocr n TYR 447 Ca 0.07 -0.41 -0.14 0.00 -0.16 0.00 0.00 57.90 57.27 1ocr n TYR 447 Cb 0.54 -0.31 -0.09 0.00 -0.31 0.00 0.00 39.34 39.17 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 2.32 1.40 0.13 -0.72 2.02 -1.44 -3.10 112.91 113.52 1ocr h THR 448 Ca 0.00 -1.42 0.02 0.00 0.77 0.00 0.00 66.41 65.78 1ocr h THR 448 Cb 1.29 2.13 -0.04 0.00 -1.74 0.00 0.00 68.15 69.78 1ocr h THR 448 CO 0.26 0.40 -0.39 -0.03 0.37 0.00 0.00 175.52 176.14 1ocr h MET 449 N -0.21 -0.60 -0.69 6.66 1.85 -1.83 -0.91 114.93 119.19 1ocr h MET 449 Ca 0.01 0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.13 1ocr h MET 449 Cb 0.72 0.14 -0.03 0.00 0.43 0.00 0.00 31.60 32.85 1ocr h MET 449 CO 0.03 -0.40 0.40 -1.49 -0.40 0.00 0.00 176.91 175.05 1ocr h TRP 450 N -0.63 0.93 0.00 1.39 -0.00 -1.91 -0.31 115.95 115.42 1ocr h TRP 450 Ca 0.02 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 58.86 1ocr h TRP 450 Cb 0.65 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.16 29.50 1ocr h TRP 450 CO -0.33 0.63 -0.24 -0.91 -0.00 0.00 0.00 178.44 177.59 1ocr h ASN 451 N 0.96 0.00 0.01 -3.49 2.35 -1.37 -1.11 115.58 112.93 1ocr h ASN 451 Ca 0.25 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.92 1ocr h ASN 451 Cb -0.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.37 1ocr h ASN 451 CO -0.04 0.24 -0.33 0.74 -1.65 0.00 0.00 177.43 176.39 1ocr h THR 452 N 0.00 1.54 -0.44 2.81 2.02 0.29 -2.19 112.91 116.94 1ocr h THR 452 Ca -0.00 -2.02 0.00 0.00 0.77 0.00 0.00 66.41 65.16 1ocr h THR 452 Cb 0.69 2.79 -0.02 0.00 -1.74 0.00 0.00 68.15 69.87 1ocr h THR 452 CO 0.03 0.56 0.28 0.40 0.37 0.00 0.00 175.52 177.16 1ocr h ILE 453 N -0.45 1.12 -0.11 3.11 2.04 -1.03 -2.29 117.51 119.89 1ocr h ILE 453 Ca -0.04 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.61 1ocr h ILE 453 Cb 1.09 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1ocr h ILE 453 CO 0.06 0.12 -0.07 -1.28 0.00 0.00 0.00 178.15 176.98 1ocr h SER 454 N 0.59 -0.23 0.13 1.72 0.87 -1.26 -0.01 113.55 115.37 1ocr h SER 454 Ca 0.16 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1ocr h SER 454 Cb -0.05 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1ocr h SER 454 CO -0.03 -0.10 -0.09 0.28 -0.53 0.00 0.00 176.83 176.36 1ocr h SER 455 N -0.07 0.00 -0.28 6.23 0.02 -1.18 -1.65 113.55 116.62 1ocr h SER 455 Ca 0.07 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 1ocr h SER 455 Cb 0.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1ocr h SER 455 CO -0.16 0.09 -0.33 0.24 -1.14 0.00 0.00 176.83 175.53 1ocr h MET 456 N 0.00 0.72 -0.58 3.45 2.07 -0.52 -2.68 114.93 117.39 1ocr h MET 456 Ca -0.00 -0.40 0.04 0.00 -2.07 0.00 0.00 59.70 57.28 1ocr h MET 456 Cb 0.18 0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 29.90 1ocr h MET 456 CO 0.01 1.02 0.39 0.78 1.07 0.00 0.00 176.91 180.17 1ocr h GLY 457 N 0.46 0.74 2.00 8.32 0.00 -0.13 -1.56 103.07 112.89 1ocr h GLY 457 Ca 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1ocr h GLY 457 CO 0.08 0.21 -0.03 1.48 0.00 0.00 0.00 176.54 178.28 1ocr h SER 458 N 0.63 0.00 0.99 0.19 4.64 -1.08 -0.48 113.55 118.44 1ocr h SER 458 Ca 0.24 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.38 1ocr h SER 458 Cb 0.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1ocr h SER 458 CO -0.07 0.03 -1.06 -0.26 -0.87 0.00 0.00 176.83 174.60 1ocr h PHE 459 N 0.00 0.00 -0.11 4.77 -1.00 -1.29 -2.94 116.94 116.37 1ocr h PHE 459 Ca -0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1ocr h PHE 459 Cb 0.24 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.79 1ocr h PHE 459 CO 0.00 0.77 0.04 0.82 -1.61 0.00 0.00 178.31 178.33 1ocr h ILE 460 N 0.00 1.15 -0.70 -0.55 2.04 -1.04 -1.35 117.51 117.06 1ocr h ILE 460 Ca -0.09 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.38 1ocr h ILE 460 Cb 1.66 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.95 1ocr h ILE 460 CO 0.08 0.13 0.46 0.28 0.00 0.00 0.00 178.15 179.11 1ocr h SER 461 N 0.02 0.67 -0.66 1.72 0.02 -1.56 0.21 113.55 113.97 1ocr h SER 461 Ca 0.04 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1ocr h SER 461 Cb 0.17 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 1ocr h SER 461 CO -0.00 0.44 0.39 0.25 -1.14 0.00 0.00 176.83 176.77 1ocr h LEU 462 N 0.77 0.61 -0.34 5.07 5.85 -1.09 -1.05 115.31 125.12 1ocr h LEU 462 Ca 0.30 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.06 1ocr h LEU 462 Cb 0.20 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1ocr h LEU 462 CO -0.09 0.41 0.17 0.74 -0.34 0.00 0.00 178.44 179.32 1ocr h THR 463 N 0.74 0.98 -0.98 1.05 2.02 -0.09 -1.67 112.91 114.97 1ocr h THR 463 Ca 0.28 -0.12 0.10 0.00 0.77 0.00 0.00 66.41 67.44 1ocr h THR 463 Cb 0.11 0.60 -0.07 0.00 -1.74 0.00 0.00 68.15 67.04 1ocr h THR 463 CO -0.14 0.06 0.62 0.00 0.37 0.00 0.00 175.52 176.43 1ocr h ALA 464 N 1.18 1.52 0.00 6.16 0.00 -0.41 0.12 119.26 127.83 1ocr h ALA 464 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 1ocr h ALA 464 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1ocr h ALA 464 CO -0.10 0.28 -0.74 -0.39 0.00 0.00 0.00 179.25 178.30 1ocr h VAL 465 N 1.02 1.44 -0.21 0.00 -1.51 -0.48 -1.08 116.25 115.43 1ocr h VAL 465 Ca 0.46 -2.61 -0.05 0.00 -1.23 0.00 0.00 66.70 63.27 1ocr h VAL 465 Cb 0.38 2.44 -0.01 0.00 -2.13 0.00 0.00 31.29 31.98 1ocr h VAL 465 CO -0.22 0.72 -0.05 0.24 -1.23 0.00 0.00 177.57 177.04 1ocr h MET 466 N 0.00 0.40 -0.71 5.19 2.86 -0.40 -2.26 114.93 120.00 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 1.38 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.94 1ocr h MET 466 CO 0.10 0.65 0.32 1.25 1.06 0.00 0.00 176.91 180.29 1ocr h LEU 467 N 0.13 0.38 -1.15 1.22 6.46 -0.65 -0.42 115.31 121.28 1ocr h LEU 467 Ca 0.05 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1ocr h LEU 467 Cb 0.50 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.41 1ocr h LEU 467 CO 0.02 0.20 0.44 -0.03 -0.62 0.00 0.00 178.44 178.45 1ocr h MET 468 N 0.53 1.02 -0.98 1.25 4.05 -0.70 -0.66 114.93 119.44 1ocr h MET 468 Ca 0.36 -0.10 0.04 0.00 -0.28 0.00 0.00 59.70 59.73 1ocr h MET 468 Cb 0.45 -0.21 -0.06 0.00 -0.80 0.00 0.00 31.60 30.98 1ocr h MET 468 CO -0.31 0.73 0.64 0.28 0.23 0.00 0.00 176.91 178.47 1ocr h VAL 469 N 1.03 1.15 -0.19 -5.77 2.07 -0.52 -2.23 116.25 111.79 1ocr h VAL 469 Ca 0.27 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1ocr h VAL 469 Cb -0.02 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.57 1ocr h VAL 469 CO -0.05 0.22 0.07 0.15 0.02 0.00 0.00 177.57 177.99 1ocr h PHE 470 N 1.22 0.30 -0.93 1.57 3.57 -0.90 -2.32 116.94 119.45 1ocr h PHE 470 Ca 0.40 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 62.03 1ocr h PHE 470 Cb 0.03 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 38.60 1ocr h PHE 470 CO -0.01 0.35 0.59 0.82 -2.23 0.00 0.00 178.31 177.84 1ocr h ILE 471 N 0.15 0.81 -0.11 1.41 2.04 -0.70 0.32 117.51 121.43 1ocr h ILE 471 Ca 0.06 -0.25 -0.20 0.00 1.00 0.00 0.00 64.86 65.48 1ocr h ILE 471 Cb 0.19 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1ocr h ILE 471 CO -0.00 0.13 -0.75 0.40 0.00 0.00 0.00 178.15 177.93 1ocr h ILE 472 N 0.72 1.34 0.60 -0.67 2.04 -1.32 -2.58 117.51 117.65 1ocr h ILE 472 Ca 0.48 -2.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.24 1ocr h ILE 472 Cb 0.77 2.06 0.01 0.00 -0.74 0.00 0.00 36.82 38.91 1ocr h ILE 472 CO -0.24 0.64 -0.29 -0.25 0.00 0.00 0.00 178.15 178.01 1ocr h TRP 473 N 0.38 -0.75 -0.83 1.37 7.01 -0.13 -2.35 115.95 120.65 1ocr h TRP 473 Ca -0.04 -0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.09 1ocr h TRP 473 Cb 1.34 0.25 -0.06 0.00 -2.10 0.00 0.00 29.16 28.59 1ocr h TRP 473 CO 0.06 -0.45 0.54 1.05 -2.79 0.00 0.00 178.44 176.85 1ocr h GLU 474 N -0.84 0.56 -0.45 2.65 -0.00 -0.52 0.39 114.58 116.38 1ocr h GLU 474 Ca -0.08 -0.03 -0.04 0.00 -0.00 0.00 0.00 59.36 59.20 1ocr h GLU 474 Cb 0.63 -0.13 -0.02 0.00 -0.00 0.00 0.00 28.75 29.24 1ocr h GLU 474 CO 0.14 0.37 0.13 0.00 -0.00 0.00 0.00 179.01 179.64 1ocr h ALA 475 N 1.62 0.59 -0.02 1.06 0.00 -1.17 0.32 119.26 121.66 1ocr h ALA 475 Ca 0.41 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1ocr h ALA 475 Cb 0.77 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1ocr h ALA 475 CO -0.17 0.26 -0.65 0.74 0.00 0.00 0.00 179.25 179.43 1ocr h PHE 476 N 0.59 0.11 -0.18 0.00 0.04 -0.44 -2.10 116.94 114.97 1ocr h PHE 476 Ca 0.14 -0.05 -0.16 0.00 2.80 0.00 0.00 57.97 60.70 1ocr h PHE 476 Cb 0.29 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1ocr h PHE 476 CO 0.02 0.71 -0.53 0.00 -0.60 0.00 0.00 178.31 177.90 1ocr h ALA 477 N 1.28 0.30 -0.01 2.45 0.00 0.21 -3.31 119.26 120.19 1ocr h ALA 477 Ca -0.01 -0.51 -0.22 0.00 0.00 0.00 0.00 54.91 54.17 1ocr h ALA 477 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ocr h ALA 477 CO 0.09 0.50 -0.92 0.77 0.00 0.00 0.00 179.25 179.69 1ocr h SER 478 N 0.36 0.52 -5.35 0.00 0.02 -0.36 -3.49 113.55 105.25 1ocr h SER 478 Ca -0.02 -0.41 -0.23 0.00 -0.84 0.00 0.00 61.79 60.29 1ocr h SER 478 Cb 1.16 -0.16 0.18 0.00 0.14 0.00 0.00 62.40 63.72 1ocr h SER 478 CO 0.11 1.21 -0.79 0.29 -1.14 0.00 0.00 176.83 176.52 1ocr n LYS 479 N -3.75 -2.12 -3.26 3.45 5.02 -0.79 -4.96 118.16 111.75 1ocr n LYS 479 Ca -0.06 0.86 -0.44 0.00 -2.02 0.00 0.00 58.31 56.65 1ocr n LYS 479 Cb 0.82 -5.66 -0.07 0.00 -0.02 0.00 0.00 35.03 30.11 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 -4.27 3.05 0.62 1.97 0.52 -1.26 -5.04 118.95 114.53 1ocr s ARG 480 Ca 0.42 -1.16 -0.15 0.00 -0.52 0.00 0.00 55.73 54.32 1ocr s ARG 480 Cb -0.05 -4.14 -0.02 0.00 0.52 0.00 0.00 34.95 31.26 1ocr s ARG 480 CO 0.71 -1.17 1.06 -1.21 0.02 0.00 0.00 175.30 174.71 1ocr s GLU 481 N 2.16 3.20 0.26 3.54 2.02 -1.26 -2.11 118.70 126.50 1ocr s GLU 481 Ca 0.09 1.16 -0.27 0.00 0.02 0.00 0.00 54.97 55.97 1ocr s GLU 481 Cb -0.22 -2.02 -0.09 0.00 0.10 0.00 0.00 34.13 31.90 1ocr s GLU 481 CO 0.09 -0.90 0.90 0.08 0.02 0.00 0.00 175.26 175.45 1ocr s VAL 482 N -2.58 4.20 -0.01 2.63 1.01 -0.65 -4.87 120.40 120.13 1ocr s VAL 482 Ca 0.62 1.88 -0.01 0.00 0.00 0.00 0.00 61.98 64.48 1ocr s VAL 482 Cb -0.16 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 1ocr s VAL 482 CO 0.41 0.35 -0.01 0.18 0.00 0.00 0.00 175.10 176.02 1ocr n LEU 483 N 1.09 0.09 -4.32 3.92 4.77 -1.26 -4.94 117.00 116.36 1ocr n LEU 483 Ca -0.01 0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.74 1ocr n LEU 483 Cb 0.49 -0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 41.06 1ocr n LEU 483 CO 0.47 -0.49 -0.52 0.42 -1.33 0.00 0.00 177.39 175.93 1ocr s THR 484 N -1.09 1.84 -0.01 -5.08 -4.23 -1.26 -5.05 115.64 100.77 1ocr s THR 484 Ca -0.01 -1.65 0.07 0.00 -1.18 0.00 0.00 61.69 58.92 1ocr s THR 484 Cb 0.00 -1.70 -0.02 0.00 1.34 0.00 0.00 72.50 72.13 1ocr s THR 484 CO 0.02 -0.08 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.10 1ocr s VAL 485 N -1.30 1.86 0.59 2.29 1.01 -1.26 -5.14 120.40 118.45 1ocr s VAL 485 Ca 0.10 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 1ocr s VAL 485 Cb -0.09 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1ocr s VAL 485 CO 0.05 0.48 1.00 -1.81 0.00 0.00 0.00 175.10 174.83 1ocr s ASP 486 N -0.66 6.30 -1.52 3.32 1.11 -1.26 -4.43 116.67 119.53 1ocr s ASP 486 Ca 0.09 1.41 -0.12 0.00 0.18 0.00 0.00 52.55 54.11 1ocr s ASP 486 Cb -0.09 -2.46 0.08 0.00 1.07 0.00 0.00 42.92 41.52 1ocr s ASP 486 CO -0.00 -0.80 0.88 0.18 1.18 0.00 0.00 175.17 176.61 1ocr n LEU 487 N -2.51 -2.47 0.24 1.23 4.77 -1.26 -4.88 117.00 112.13 1ocr n LEU 487 Ca 0.06 -0.84 0.13 0.00 -0.03 0.00 0.00 56.01 55.33 1ocr n LEU 487 Cb 0.54 -2.48 0.55 0.00 -2.33 0.00 0.00 43.42 39.70 1ocr n LEU 487 CO 0.56 0.43 0.88 0.71 -1.33 0.00 0.00 177.39 178.64 1ocr h THR 488 N -1.96 0.36 -0.43 -5.08 1.35 -1.86 -3.03 112.91 102.26 1ocr h THR 488 Ca -0.59 -0.88 0.05 0.00 -0.55 0.00 0.00 66.41 64.45 1ocr h THR 488 Cb 1.38 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 69.43 1ocr h THR 488 CO 0.67 0.14 0.29 0.71 -0.25 0.00 0.00 175.52 177.08 1ocr h THR 489 N 0.00 0.98 -0.17 6.82 1.35 -1.96 -1.76 112.91 118.16 1ocr h THR 489 Ca -0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1ocr h THR 489 Cb 0.64 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1ocr h THR 489 CO 0.02 0.07 0.00 0.35 -0.25 0.00 0.00 175.52 175.71 1ocr n THR 490 N -4.48 1.77 -3.15 6.82 -2.24 -1.16 -4.74 114.28 107.09 1ocr n THR 490 Ca 0.05 -1.71 -0.23 0.00 -2.27 0.00 0.00 64.05 59.90 1ocr n THR 490 Cb 0.22 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.58 -0.15 -0.40 3.42 3.02 -0.66 -5.00 115.26 114.90 1ocr n ASN 491 Ca 0.15 -2.74 0.32 0.00 -0.03 0.00 0.00 54.58 52.29 1ocr n ASN 491 Cb 0.65 -0.40 0.60 0.00 -0.61 0.00 0.00 39.78 40.02 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 4.06 0.31 -2.48 3.41 6.46 -1.85 -1.81 115.31 123.40 1ocr h LEU 492 Ca 0.06 0.12 0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1ocr h LEU 492 Cb 0.90 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1ocr h LEU 492 CO 0.44 -0.10 0.09 1.05 -0.62 0.00 0.00 178.44 179.30 1ocr h GLU 493 N 0.18 0.00 0.00 1.25 9.09 -1.92 -1.35 114.58 121.83 1ocr h GLU 493 Ca 0.75 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 60.14 1ocr h GLU 493 Cb 2.23 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 29.32 1ocr h GLU 493 CO -0.39 0.00 -0.71 -1.49 0.05 0.00 0.00 179.01 176.48 1ocr h TRP 494 N 0.00 0.00 0.00 2.06 4.06 -1.68 -3.39 115.95 117.00 1ocr h TRP 494 Ca 0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1ocr h TRP 494 Cb 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 1ocr h TRP 494 CO 0.00 0.07 0.31 -0.07 -3.56 0.00 0.00 178.44 175.19 1ocr h LEU 495 N 0.00 0.00 -2.87 -4.49 3.38 -1.39 -0.84 115.31 109.10 1ocr h LEU 495 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ocr h LEU 495 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ocr h LEU 495 CO 0.01 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.13 1ocr n ASN 496 N -2.68 4.40 0.00 -0.43 3.02 -1.26 -5.06 115.26 113.25 1ocr n ASN 496 Ca -0.02 -2.39 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 1ocr n ASN 496 Cb 0.35 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 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 1.12 -1.45 3.02 7.41 0.00 -0.32 -4.34 105.19 110.63 1ocr n GLY 497 Ca 0.24 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 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 3.62 0.65 0.00 0.04 -1.26 -4.30 135.00 135.12 1ocr s PRO 499 Ca -0.00 0.29 -0.16 0.00 0.04 0.00 0.00 61.00 61.17 1ocr s PRO 499 Cb -0.16 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 1ocr s PRO 499 CO -0.09 -0.14 1.14 -1.25 0.04 0.00 0.00 177.00 176.70 1ocr s PRO 500 N -4.41 2.80 0.90 0.56 0.04 -0.86 -4.98 135.00 129.05 1ocr s PRO 500 Ca 0.49 1.52 -0.10 0.00 0.04 0.00 0.00 61.00 62.94 1ocr s PRO 500 Cb -0.10 -1.94 0.14 0.00 0.04 0.00 0.00 34.50 32.63 1ocr s PRO 500 CO 0.40 -1.28 1.13 -1.25 0.04 0.00 0.00 177.00 176.05 1ocr s PRO 501 N -3.87 1.16 0.22 0.56 0.04 -1.26 -4.89 135.00 126.96 1ocr s PRO 501 Ca 0.70 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 1ocr s PRO 501 Cb -0.23 -1.75 0.28 0.00 0.04 0.00 0.00 34.50 32.84 1ocr s PRO 501 CO 0.39 -2.50 1.63 -0.92 0.04 0.00 0.00 177.00 175.64 1ocr h TYR 502 N -1.77 -0.25 -3.55 0.56 3.20 -2.01 -3.33 116.97 109.81 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 0.22 -0.27 0.00 1.54 0.00 0.00 36.73 39.48 1ocr h TYR 502 CO 0.51 -0.26 -0.66 -1.01 -1.64 0.00 0.00 178.16 175.10 1ocr s HIS 503 N -6.20 3.08 0.22 -3.82 3.76 -1.26 -4.92 115.29 106.15 1ocr s HIS 503 Ca -0.14 -0.95 0.08 0.00 -0.15 0.00 0.00 55.06 53.90 1ocr s HIS 503 Cb 0.20 -2.19 -0.04 0.00 1.11 0.00 0.00 32.58 31.66 1ocr s HIS 503 CO 0.74 -0.55 0.05 0.95 -0.85 0.00 0.00 174.74 175.08 1ocr s THR 504 N 1.49 3.85 -1.43 1.30 -4.23 -1.25 -4.64 115.64 110.74 1ocr s THR 504 Ca 0.04 -1.55 -0.09 0.00 -1.18 0.00 0.00 61.69 58.91 1ocr s THR 504 Cb -0.16 -3.01 0.05 0.00 1.34 0.00 0.00 72.50 70.72 1ocr s THR 504 CO 0.00 -0.25 0.65 0.49 -0.54 0.00 0.00 174.62 174.98 1ocr n PHE 505 N -0.62 -1.99 0.16 3.99 3.72 -1.26 -4.40 117.46 117.05 1ocr n PHE 505 Ca -0.08 0.59 0.06 0.00 -0.05 0.00 0.00 57.45 57.97 1ocr n PHE 505 Cb 0.57 -3.75 0.53 0.00 -0.94 0.00 0.00 39.48 35.89 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 -1.39 0.18 -5.13 -1.08 4.81 -1.95 -3.29 114.58 106.73 1ocr h GLU 506 Ca -0.50 -0.02 -0.67 0.00 -0.13 0.00 0.00 59.36 58.04 1ocr h GLU 506 Cb 1.33 -0.04 -0.34 0.00 0.63 0.00 0.00 28.75 30.33 1ocr h GLU 506 CO 0.57 0.17 -0.86 -2.00 -0.73 0.00 0.00 179.01 176.16 1ocr s GLU 507 N -5.10 3.02 0.99 1.92 2.12 -1.26 -5.11 118.70 115.29 1ocr s GLU 507 Ca -0.06 -0.83 -0.13 0.00 0.36 0.00 0.00 54.97 54.31 1ocr s GLU 507 Cb 0.17 -2.52 0.11 0.00 0.26 0.00 0.00 34.13 32.15 1ocr s GLU 507 CO 0.70 -0.11 0.65 -2.30 -0.54 0.00 0.00 175.26 173.67 1ocr n PRO 508 N 4.34 -0.82 -1.37 4.30 -0.02 -1.24 -5.01 135.00 135.18 1ocr n PRO 508 Ca -0.20 -0.19 -0.29 0.00 -2.02 0.00 0.00 63.50 60.79 1ocr n PRO 508 Cb 0.51 -2.03 0.17 0.00 -0.02 0.00 0.00 33.50 32.12 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 -2.45 1.95 -0.21 3.45 -4.23 -1.26 -5.03 115.64 107.86 1ocr s THR 509 Ca 0.61 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.13 1ocr s THR 509 Cb -0.21 -2.64 0.03 0.00 1.34 0.00 0.00 72.50 71.02 1ocr s THR 509 CO 0.64 0.00 -0.16 -0.47 -0.54 0.00 0.00 174.62 174.09 1ocr s TYR 510 N -3.17 2.94 -0.11 3.99 6.14 -1.26 -5.05 117.35 120.84 1ocr s TYR 510 Ca 0.66 -1.77 -0.01 0.00 0.64 0.00 0.00 57.07 56.59 1ocr s TYR 510 Cb -0.15 -1.95 0.03 0.00 0.42 0.00 0.00 41.96 40.31 1ocr s TYR 510 CO 0.55 -0.81 -0.04 0.08 0.64 0.00 0.00 175.55 175.97 1ocr s VAL 511 N 1.26 0.79 0.50 3.14 1.01 -1.26 -5.12 120.40 120.71 1ocr s VAL 511 Ca 0.01 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.58 1ocr s VAL 511 Cb -0.15 -0.90 -0.07 0.00 0.00 0.00 0.00 36.38 35.27 1ocr s VAL 511 CO -0.10 0.28 1.15 0.20 0.00 0.00 0.00 175.10 176.63 1ocr s ASN 512 N 1.80 5.98 -1.08 3.32 0.02 -1.26 -4.60 114.94 119.12 1ocr s ASN 512 Ca 0.04 2.26 -0.10 0.00 -1.02 0.00 0.00 52.86 54.04 1ocr s ASN 512 Cb -0.13 -2.59 0.26 0.00 0.02 0.00 0.00 41.25 38.81 1ocr s ASN 512 CO -0.07 -1.05 1.09 -0.22 0.02 0.00 0.00 177.10 176.87 1ocr s LEU 513 N -3.35 6.31 0.00 0.60 2.96 -1.26 -4.95 118.68 118.99 1ocr s LEU 513 Ca 0.67 -3.43 0.06 0.00 -0.22 0.00 0.00 54.13 51.22 1ocr s LEU 513 Cb -0.27 -2.22 0.37 0.00 0.50 0.00 0.00 46.19 44.57 1ocr s LEU 513 CO 0.32 -0.36 0.84 0.29 -1.32 0.00 0.00 176.35 176.11