#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocr s ALA 2 N 0.00 3.67 0.25 3.17 0.00 -1.26 -4.75 121.76 122.84 1ocr s ALA 2 Ca 0.00 -0.30 0.07 0.00 0.00 0.00 0.00 51.96 51.73 1ocr s ALA 2 Cb 0.00 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 1ocr s ALA 2 CO 0.00 0.35 0.21 1.52 0.00 0.00 0.00 175.76 177.84 1ocr s TYR 3 N -0.54 3.12 0.37 0.00 1.13 -1.26 -5.06 117.35 115.11 1ocr s TYR 3 Ca 0.22 -0.11 -0.27 0.00 -1.41 0.00 0.00 57.07 55.49 1ocr s TYR 3 Cb -0.15 -1.42 -0.11 0.00 -1.10 0.00 0.00 41.96 39.17 1ocr s TYR 3 CO 0.10 0.51 1.32 -2.30 -2.51 0.00 0.00 175.55 172.67 1ocr n PRO 4 N -1.19 2.17 -2.88 -3.49 -0.02 -1.26 -2.69 135.00 125.64 1ocr n PRO 4 Ca -0.08 0.77 -0.21 0.00 -2.02 0.00 0.00 63.50 61.96 1ocr n PRO 4 Cb 0.58 -2.41 0.03 0.00 -0.02 0.00 0.00 33.50 31.68 1ocr n PRO 4 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1ocr n MET 5 N 0.38 -4.15 -2.75 -0.52 0.00 -1.26 -4.98 117.12 103.85 1ocr n MET 5 Ca 0.05 0.89 -0.35 0.00 0.00 0.00 0.00 57.70 58.28 1ocr n MET 5 Cb 0.38 -5.63 -0.06 0.00 0.00 0.00 0.00 33.22 27.91 1ocr n MET 5 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 1ocr s GLN 6 N -5.53 4.33 -0.13 2.12 0.74 -1.10 -4.99 119.66 115.10 1ocr s GLN 6 Ca 0.24 1.27 -0.03 0.00 0.05 0.00 0.00 55.36 56.89 1ocr s GLN 6 Cb -0.11 -2.47 -0.07 0.00 1.10 0.00 0.00 33.01 31.47 1ocr s GLN 6 CO 0.30 0.05 -0.15 1.28 -0.55 0.00 0.00 175.29 176.22 1ocr n LEU 7 N -0.11 1.86 0.00 3.68 4.32 -1.26 -5.07 117.00 120.41 1ocr n LEU 7 Ca 0.05 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 1ocr n LEU 7 Cb 0.52 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 1ocr n LEU 7 CO 0.41 0.48 0.00 0.61 -1.22 0.00 0.00 177.39 177.67 1ocr n GLY 8 N 2.47 2.32 3.80 -0.72 0.00 -1.26 -5.10 105.19 106.71 1ocr n GLY 8 Ca -0.25 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.48 1ocr n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ocr s PHE 9 N 2.40 2.95 0.64 1.61 0.08 -1.26 -5.02 117.98 119.39 1ocr s PHE 9 Ca 0.00 1.50 -0.16 0.00 0.12 0.00 0.00 56.93 58.39 1ocr s PHE 9 Cb 0.00 -3.00 -0.01 0.00 -0.57 0.00 0.00 43.02 39.44 1ocr s PHE 9 CO 0.00 -1.22 1.14 -0.65 -0.10 0.00 0.00 175.22 174.39 1ocr s GLN 10 N -4.27 2.83 0.47 0.44 -0.21 -1.26 -4.93 119.66 112.73 1ocr s GLN 10 Ca 0.63 1.54 -0.24 0.00 0.02 0.00 0.00 55.36 57.31 1ocr s GLN 10 Cb -0.16 -1.94 -0.08 0.00 1.00 0.00 0.00 33.01 31.83 1ocr s GLN 10 CO 0.41 -1.26 1.24 -0.25 -2.12 0.00 0.00 175.29 173.32 1ocr n ASP 11 N -2.15 2.30 -4.69 5.90 9.92 -1.26 -4.83 116.55 121.74 1ocr n ASP 11 Ca 0.11 1.04 -0.42 0.00 -0.53 0.00 0.00 54.79 54.99 1ocr n ASP 11 Cb 0.51 -1.50 -0.03 0.00 -0.64 0.00 0.00 41.12 39.47 1ocr n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ocr s ALA 12 N -1.26 3.43 -0.15 2.24 0.00 -1.26 -4.71 121.76 120.05 1ocr s ALA 12 Ca 0.65 0.54 0.22 0.00 0.00 0.00 0.00 51.96 53.37 1ocr s ALA 12 Cb -0.48 -3.47 -0.14 0.00 0.00 0.00 0.00 23.12 19.04 1ocr s ALA 12 CO 0.55 -0.64 0.81 2.41 0.00 0.00 0.00 175.76 178.89 1ocr n THR 13 N 4.48 0.42 -4.54 0.00 -1.04 0.05 -4.91 114.28 108.75 1ocr n THR 13 Ca 0.10 -0.54 -0.25 0.00 -2.04 0.00 0.00 64.05 61.32 1ocr n THR 13 Cb 0.47 -0.23 -0.10 0.00 -1.82 0.00 0.00 70.33 68.65 1ocr n THR 13 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ocr s SER 14 N -5.06 3.06 0.18 8.00 1.04 -1.25 -1.47 113.70 118.19 1ocr s SER 14 Ca -0.04 -1.41 -0.06 0.00 0.48 0.00 0.00 55.95 54.92 1ocr s SER 14 Cb 0.11 -0.13 0.07 0.00 0.10 0.00 0.00 66.02 66.17 1ocr s SER 14 CO 0.84 -0.59 1.51 -0.65 0.98 0.00 0.00 173.24 175.33 1ocr h PRO 15 N 1.92 0.72 -0.38 4.02 0.11 -1.91 -2.64 132.00 133.84 1ocr h PRO 15 Ca -0.42 -0.41 -0.15 0.00 0.11 0.00 0.00 66.00 65.14 1ocr h PRO 15 Cb 1.25 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1ocr h PRO 15 CO 0.73 1.03 -0.35 -0.84 -0.21 0.00 0.00 178.00 178.36 1ocr h ILE 16 N 0.58 1.28 -0.17 4.15 3.07 -1.93 -1.21 117.51 123.28 1ocr h ILE 16 Ca 0.04 -1.52 -0.03 0.00 1.55 0.00 0.00 64.86 64.90 1ocr h ILE 16 Cb 1.01 1.35 -0.01 0.00 -0.27 0.00 0.00 36.82 38.90 1ocr h ILE 16 CO 0.10 0.51 -0.02 -0.03 -1.05 0.00 0.00 178.15 177.65 1ocr h MET 17 N 0.72 0.24 0.07 0.16 4.05 -1.74 0.87 114.93 119.30 1ocr h MET 17 Ca 0.07 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1ocr h MET 17 Cb 0.92 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.68 1ocr h MET 17 CO 0.08 0.28 -0.03 0.93 0.23 0.00 0.00 176.91 178.40 1ocr h GLU 18 N 0.24 -0.09 -0.75 0.39 5.08 -1.09 -1.97 114.58 116.39 1ocr h GLU 18 Ca 0.06 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.58 1ocr h GLU 18 Cb 0.20 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.36 1ocr h GLU 18 CO 0.01 0.18 0.23 0.93 -1.00 0.00 0.00 179.01 179.36 1ocr h GLU 19 N -0.36 0.32 -0.66 2.33 4.39 -0.20 -1.41 114.58 118.99 1ocr h GLU 19 Ca -0.01 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1ocr h GLU 19 Cb 0.31 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1ocr h GLU 19 CO 0.02 0.21 0.17 -0.07 -1.16 0.00 0.00 179.01 178.18 1ocr h LEU 20 N 0.33 0.98 -0.68 1.33 3.38 -0.64 -1.37 115.31 118.64 1ocr h LEU 20 Ca 0.42 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.25 1ocr h LEU 20 Cb 0.70 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1ocr h LEU 20 CO -0.47 0.94 0.40 -0.07 0.09 0.00 0.00 178.44 179.32 1ocr h LEU 21 N 0.99 0.61 -0.45 1.67 3.38 -0.48 0.30 115.31 121.33 1ocr h LEU 21 Ca 0.21 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 1ocr h LEU 21 Cb 0.34 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1ocr h LEU 21 CO -0.00 0.40 -0.38 0.45 0.09 0.00 0.00 178.44 179.00 1ocr h HIS 22 N 0.74 1.05 -0.46 1.13 3.86 -1.20 -1.28 115.15 118.98 1ocr h HIS 22 Ca 0.30 -0.31 -0.09 0.00 -1.16 0.00 0.00 60.37 59.10 1ocr h HIS 22 Cb 0.14 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 1ocr h HIS 22 CO -0.07 1.12 -0.09 0.35 0.86 0.00 0.00 177.93 180.11 1ocr h PHE 23 N 0.72 0.91 -0.13 2.45 3.57 -0.46 -1.93 116.94 122.06 1ocr h PHE 23 Ca 0.06 -0.16 -0.11 0.00 3.53 0.00 0.00 57.97 61.28 1ocr h PHE 23 Cb 0.96 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1ocr h PHE 23 CO 0.06 0.87 -0.42 1.25 -2.23 0.00 0.00 178.31 177.85 1ocr h HIS 24 N 0.75 0.35 -0.62 0.41 2.76 -0.29 -1.69 115.15 116.83 1ocr h HIS 24 Ca 0.13 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1ocr h HIS 24 Cb 0.58 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.43 1ocr h HIS 24 CO 0.03 0.67 0.30 -0.44 -1.30 0.00 0.00 177.93 177.19 1ocr h ASP 25 N 0.25 0.82 0.36 3.26 3.32 -0.69 0.13 116.42 123.87 1ocr h ASP 25 Ca 0.02 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1ocr h ASP 25 Cb 0.84 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1ocr h ASP 25 CO 0.07 0.72 -0.19 -0.74 -1.72 0.00 0.00 179.24 177.38 1ocr h HIS 26 N 0.86 -0.49 -0.46 4.55 -0.00 -1.17 -1.34 115.15 117.09 1ocr h HIS 26 Ca 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1ocr h HIS 26 Cb 0.13 0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.68 1ocr h HIS 26 CO 0.00 -0.30 0.29 1.15 -0.00 0.00 0.00 177.93 179.07 1ocr h THR 27 N -0.51 1.14 -0.21 6.26 2.02 -1.18 -2.26 112.91 118.16 1ocr h THR 27 Ca -0.05 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1ocr h THR 27 Cb 0.40 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1ocr h THR 27 CO 0.07 0.13 0.04 0.25 0.37 0.00 0.00 175.52 176.38 1ocr h LEU 28 N 0.62 0.27 -0.33 2.58 5.85 -0.86 -0.21 115.31 123.23 1ocr h LEU 28 Ca 0.17 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1ocr h LEU 28 Cb -0.03 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1ocr h LEU 28 CO -0.03 0.29 0.21 -0.03 -0.34 0.00 0.00 178.44 178.54 1ocr h MET 29 N 0.30 0.42 -0.53 1.25 4.05 -0.65 -0.61 114.93 119.16 1ocr h MET 29 Ca 0.07 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.39 1ocr h MET 29 Cb 0.14 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1ocr h MET 29 CO -0.00 0.28 0.05 0.82 0.23 0.00 0.00 176.91 178.28 1ocr h ILE 30 N 0.44 1.26 0.00 1.77 2.04 -0.86 -0.94 117.51 121.22 1ocr h ILE 30 Ca 0.12 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 1ocr h ILE 30 Cb -0.05 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1ocr h ILE 30 CO -0.03 0.37 -0.17 -0.37 0.00 0.00 0.00 178.15 177.95 1ocr h VAL 31 N 0.79 0.56 -0.13 1.67 -1.51 -0.71 -0.85 116.25 116.06 1ocr h VAL 31 Ca 0.16 -0.80 -0.14 0.00 -1.23 0.00 0.00 66.70 64.68 1ocr h VAL 31 Cb 0.47 1.53 0.01 0.00 -2.13 0.00 0.00 31.29 31.16 1ocr h VAL 31 CO 0.02 0.17 -0.48 -0.26 -1.23 0.00 0.00 177.57 175.79 1ocr h PHE 32 N 0.00 0.73 0.35 5.19 0.04 -0.44 -1.00 116.94 121.80 1ocr h PHE 32 Ca -0.00 -0.30 -0.00 0.00 2.80 0.00 0.00 57.97 60.46 1ocr h PHE 32 Cb 0.52 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 1ocr h PHE 32 CO 0.00 1.08 -0.42 1.25 -0.60 0.00 0.00 178.31 179.61 1ocr h LEU 33 N 0.17 -1.18 -0.09 1.54 6.46 -0.29 0.18 115.31 122.10 1ocr h LEU 33 Ca -0.02 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1ocr h LEU 33 Cb 1.11 0.41 -0.00 0.00 -0.73 0.00 0.00 40.66 41.44 1ocr h LEU 33 CO 0.10 -0.55 0.06 0.40 -0.62 0.00 0.00 178.44 177.83 1ocr h ILE 34 N -0.81 1.03 0.00 4.05 1.08 -1.22 -0.25 117.51 121.39 1ocr h ILE 34 Ca -0.02 -0.05 -0.05 0.00 -0.39 0.00 0.00 64.86 64.35 1ocr h ILE 34 Cb 0.74 0.89 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 1ocr h ILE 34 CO -0.11 0.02 -0.24 0.77 -0.69 0.00 0.00 178.15 177.91 1ocr h SER 35 N 0.12 0.00 0.54 1.72 4.64 -1.03 -1.53 113.55 118.01 1ocr h SER 35 Ca 0.03 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.12 1ocr h SER 35 Cb -0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1ocr h SER 35 CO -0.01 0.24 -1.05 0.77 -0.87 0.00 0.00 176.83 175.91 1ocr h SER 36 N 0.00 0.40 0.15 4.97 4.64 -0.44 -2.77 113.55 120.50 1ocr h SER 36 Ca -0.00 -0.37 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 1ocr h SER 36 Cb 0.44 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1ocr h SER 36 CO 0.03 1.22 -0.07 0.25 -0.87 0.00 0.00 176.83 177.39 1ocr h LEU 37 N 0.13 -0.17 -1.37 5.97 5.85 -0.67 -0.83 115.31 124.22 1ocr h LEU 37 Ca -0.09 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1ocr h LEU 37 Cb 1.73 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.76 1ocr h LEU 37 CO 0.17 -0.07 0.47 0.58 -0.34 0.00 0.00 178.44 179.26 1ocr h VAL 38 N -0.25 1.05 -0.02 1.05 2.07 -1.33 0.48 116.25 119.29 1ocr h VAL 38 Ca -0.02 -0.27 -0.24 0.00 0.82 0.00 0.00 66.70 66.99 1ocr h VAL 38 Cb 0.20 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1ocr h VAL 38 CO 0.03 0.14 -0.96 0.25 0.02 0.00 0.00 177.57 177.05 1ocr h LEU 39 N 0.79 0.78 0.10 2.57 5.85 -1.28 -1.28 115.31 122.83 1ocr h LEU 39 Ca 0.30 -0.60 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 1ocr h LEU 39 Cb 0.19 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1ocr h LEU 39 CO -0.10 1.40 -0.05 0.22 -0.34 0.00 0.00 178.44 179.58 1ocr h TYR 40 N 0.36 -0.12 -0.25 1.25 5.03 -0.44 -1.29 116.97 121.50 1ocr h TYR 40 Ca -0.10 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.26 1ocr h TYR 40 Cb 1.60 0.04 -0.05 0.00 1.55 0.00 0.00 36.73 39.87 1ocr h TYR 40 CO 0.08 0.11 -0.07 0.82 -1.32 0.00 0.00 178.16 177.78 1ocr h ILE 41 N -0.33 0.72 -0.89 1.81 1.08 -0.93 0.17 117.51 119.14 1ocr h ILE 41 Ca -0.01 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.56 1ocr h ILE 41 Cb 0.28 0.72 -0.08 0.00 -3.07 0.00 0.00 36.82 34.68 1ocr h ILE 41 CO 0.02 0.00 0.53 0.40 -0.69 0.00 0.00 178.15 178.41 1ocr h ILE 42 N -0.02 0.92 -0.06 -0.67 2.04 -1.11 0.23 117.51 118.85 1ocr h ILE 42 Ca 0.12 -0.30 -0.13 0.00 1.00 0.00 0.00 64.86 65.55 1ocr h ILE 42 Cb 0.20 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 1ocr h ILE 42 CO -0.27 0.16 -0.57 0.77 0.00 0.00 0.00 178.15 178.24 1ocr h SER 43 N 0.87 0.22 -0.36 1.72 4.64 -0.02 -2.93 113.55 117.70 1ocr h SER 43 Ca 0.43 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.61 1ocr h SER 43 Cb 0.39 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1ocr h SER 43 CO -0.25 0.74 0.16 0.25 -0.87 0.00 0.00 176.83 176.86 1ocr h LEU 44 N 0.15 0.48 -1.63 5.97 5.85 0.12 -3.04 115.31 123.21 1ocr h LEU 44 Ca -0.00 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1ocr h LEU 44 Cb 1.04 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1ocr h LEU 44 CO 0.09 0.48 -0.17 0.24 -0.34 0.00 0.00 178.44 178.74 1ocr h MET 45 N 0.44 0.01 -0.35 1.25 2.86 -1.07 -2.90 114.93 115.17 1ocr h MET 45 Ca 0.12 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1ocr h MET 45 Cb 0.14 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1ocr h MET 45 CO -0.01 0.19 0.00 1.28 1.06 0.00 0.00 176.91 179.42 1ocr n LEU 46 N -4.33 2.92 -1.08 1.22 4.77 -1.11 -4.50 117.00 114.89 1ocr n LEU 46 Ca -0.02 -1.27 -0.01 0.00 -0.03 0.00 0.00 56.01 54.67 1ocr n LEU 46 Cb 0.24 -0.22 0.21 0.00 -2.33 0.00 0.00 43.42 41.32 1ocr n LEU 46 CO 0.36 0.64 0.70 0.35 -1.33 0.00 0.00 177.39 178.11 1ocr n THR 47 N 1.14 2.48 -3.99 -5.08 -2.24 -1.10 -5.02 114.28 100.48 1ocr n THR 47 Ca 0.18 -2.52 -0.11 0.00 -2.27 0.00 0.00 64.05 59.33 1ocr n THR 47 Cb 0.52 -0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 68.32 1ocr n THR 47 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ocr s THR 48 N -3.14 0.20 -0.56 4.28 -1.32 -1.26 -5.01 115.64 108.83 1ocr s THR 48 Ca 0.44 -0.78 0.24 0.00 -1.21 0.00 0.00 61.69 60.38 1ocr s THR 48 Cb 0.39 -0.30 0.08 0.00 -1.51 0.00 0.00 72.50 71.16 1ocr s THR 48 CO 0.02 -0.37 1.33 0.11 -2.21 0.00 0.00 174.62 173.50 1ocr h LYS 49 N 4.91 0.00 -6.94 7.08 1.79 -1.97 -3.46 116.57 117.97 1ocr h LYS 49 Ca -0.31 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.62 1ocr h LYS 49 Cb 1.21 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 31.96 1ocr h LYS 49 CO 0.43 0.00 0.74 -0.51 -1.08 0.00 0.00 179.45 179.03 1ocr s LEU 50 N -4.60 4.29 0.21 2.94 1.43 -1.26 -4.99 118.68 116.69 1ocr s LEU 50 Ca 0.05 2.97 0.06 0.00 -1.03 0.00 0.00 54.13 56.18 1ocr s LEU 50 Cb 0.12 -3.72 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 1ocr s LEU 50 CO 0.72 -0.88 -0.09 0.42 0.23 0.00 0.00 176.35 176.75 1ocr s THR 51 N -1.14 1.42 -0.45 5.49 -4.23 -1.26 -5.06 115.64 110.40 1ocr s THR 51 Ca 0.54 -2.12 0.03 0.00 -1.18 0.00 0.00 61.69 58.96 1ocr s THR 51 Cb -0.45 -2.13 0.22 0.00 1.34 0.00 0.00 72.50 71.48 1ocr s THR 51 CO 0.60 -0.52 0.92 1.57 -0.54 0.00 0.00 174.62 176.65 1ocr n HIS 52 N -0.38 -2.63 1.18 3.99 -0.00 -1.26 -5.02 115.22 111.10 1ocr n HIS 52 Ca -0.07 -1.25 0.13 0.00 -0.00 0.00 0.00 57.72 56.53 1ocr n HIS 52 Cb 0.62 1.38 0.49 0.00 -0.00 0.00 0.00 29.99 32.48 1ocr n HIS 52 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1ocr n THR 53 N 2.29 0.00 -1.56 3.57 -2.24 -1.26 -4.89 114.28 110.19 1ocr n THR 53 Ca 0.12 -0.03 -0.30 0.00 -2.27 0.00 0.00 64.05 61.57 1ocr n THR 53 Cb 0.62 -0.05 0.20 0.00 -2.10 0.00 0.00 70.33 68.99 1ocr n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ocr s SER 54 N -2.75 2.37 0.47 3.42 1.04 -1.26 -5.00 113.70 111.99 1ocr s SER 54 Ca 0.20 0.51 -0.22 0.00 0.48 0.00 0.00 55.95 56.92 1ocr s SER 54 Cb 0.19 -0.71 -0.07 0.00 0.10 0.00 0.00 66.02 65.53 1ocr s SER 54 CO 0.56 -3.21 1.14 0.42 0.98 0.00 0.00 173.24 173.12 1ocr s THR 55 N -3.47 3.22 0.12 2.02 -4.23 -1.26 -5.07 115.64 106.97 1ocr s THR 55 Ca 0.71 0.88 0.10 0.00 -1.18 0.00 0.00 61.69 62.19 1ocr s THR 55 Cb -0.08 -3.42 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 1ocr s THR 55 CO 0.54 -0.05 -0.22 -0.04 -0.54 0.00 0.00 174.62 174.31 1ocr s MET 56 N -2.83 1.65 -0.08 3.99 1.00 -1.26 -5.10 119.30 116.67 1ocr s MET 56 Ca 0.65 -1.23 -0.30 0.00 0.00 0.00 0.00 55.69 54.81 1ocr s MET 56 Cb -0.26 -2.03 -0.03 0.00 0.00 0.00 0.00 34.83 32.51 1ocr s MET 56 CO 0.31 0.47 1.25 0.34 0.00 0.00 0.00 175.02 177.39 1ocr s ASP 57 N -2.05 6.99 0.00 3.03 2.15 -1.26 -4.98 116.67 120.56 1ocr s ASP 57 Ca 0.16 1.82 0.00 0.00 0.43 0.00 0.00 52.55 54.96 1ocr s ASP 57 Cb -0.10 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1ocr s ASP 57 CO 0.08 -0.65 0.87 0.00 -0.17 0.00 0.00 175.17 175.30 1ocr n ALA 58 N 5.62 -0.32 -0.34 3.66 0.00 -1.26 -4.40 120.51 123.47 1ocr n ALA 58 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.50 1ocr n ALA 58 Cb 0.45 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1ocr n ALA 58 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ocr h GLN 59 N 0.00 -0.07 -0.41 0.00 1.08 -2.01 -3.35 115.11 110.36 1ocr h GLN 59 Ca 0.00 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.26 1ocr h GLN 59 Cb 0.00 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.38 1ocr h GLN 59 CO 0.00 -0.04 -0.19 -0.85 -0.95 0.00 0.00 178.83 176.80 1ocr n GLU 60 N -5.38 -0.12 0.11 1.46 -0.00 -1.26 -0.84 120.64 114.61 1ocr n GLU 60 Ca 0.05 0.63 0.12 0.00 -0.00 0.00 0.00 57.16 57.95 1ocr n GLU 60 Cb 0.34 -0.93 0.07 0.00 -0.00 0.00 0.00 31.44 30.93 1ocr n GLU 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 1ocr h VAL 61 N 0.00 0.00 -0.27 3.84 -1.51 -1.87 -3.35 116.25 113.10 1ocr h VAL 61 Ca 0.12 -0.87 0.08 0.00 -1.23 0.00 0.00 66.70 64.79 1ocr h VAL 61 Cb 0.22 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1ocr h VAL 61 CO -0.40 0.00 0.27 -0.33 -1.23 0.00 0.00 177.57 175.88 1ocr h GLU 62 N 0.00 0.00 -0.11 5.19 4.39 -1.14 -1.41 114.58 121.50 1ocr h GLU 62 Ca 0.00 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 1ocr h GLU 62 Cb 0.94 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.60 1ocr h GLU 62 CO 0.00 0.00 -0.83 1.79 -1.16 0.00 0.00 179.01 178.81 1ocr h THR 63 N 0.00 1.28 -0.13 1.13 1.35 -1.70 -2.92 112.91 111.93 1ocr h THR 63 Ca 0.13 -2.03 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 1ocr h THR 63 Cb 0.66 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.19 1ocr h THR 63 CO -0.00 0.64 0.09 0.40 -0.25 0.00 0.00 175.52 176.39 1ocr h ILE 64 N 0.46 1.04 0.00 6.82 2.04 -1.52 0.43 117.51 126.79 1ocr h ILE 64 Ca -0.07 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1ocr h ILE 64 Cb 1.47 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1ocr h ILE 64 CO 0.17 0.04 0.00 -2.67 0.00 0.00 0.00 178.15 175.69 1ocr n TRP 65 N -4.99 0.00 0.00 1.37 2.14 -0.94 -1.46 117.44 113.56 1ocr n TRP 65 Ca -0.05 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.52 1ocr n TRP 65 Cb 0.03 -0.06 0.00 0.00 -0.81 0.00 0.00 31.31 30.47 1ocr n TRP 65 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 1ocr n THR 66 N -0.05 0.00 -0.15 -1.67 -1.04 -0.84 -4.66 114.28 105.86 1ocr n THR 66 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1ocr n THR 66 Cb 0.15 -1.21 -0.01 0.00 -1.82 0.00 0.00 70.33 67.44 1ocr n THR 66 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1ocr h ILE 67 N 0.00 1.27 0.64 12.58 1.08 -0.84 -2.84 117.51 129.40 1ocr h ILE 67 Ca 0.00 -1.13 -0.03 0.00 -0.39 0.00 0.00 64.86 63.31 1ocr h ILE 67 Cb 0.82 1.12 -0.00 0.00 -3.07 0.00 0.00 36.82 35.68 1ocr h ILE 67 CO 0.00 0.39 -0.36 0.25 -0.69 0.00 0.00 178.15 177.73 1ocr h LEU 68 N 0.64 -0.90 -2.05 1.44 5.85 -1.46 -1.67 115.31 117.16 1ocr h LEU 68 Ca 0.12 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1ocr h LEU 68 Cb 0.57 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1ocr h LEU 68 CO 0.03 -0.58 0.22 -0.65 -0.34 0.00 0.00 178.44 177.12 1ocr h PRO 69 N -0.94 0.00 -0.52 5.25 0.11 -1.79 -0.76 132.00 133.35 1ocr h PRO 69 Ca -0.08 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.92 1ocr h PRO 69 Cb 0.75 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 1ocr h PRO 69 CO 0.10 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 177.79 1ocr h ALA 70 N 1.83 0.83 -0.15 -0.75 0.00 -1.16 -1.30 119.26 118.56 1ocr h ALA 70 Ca 0.13 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1ocr h ALA 70 Cb 0.57 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ocr h ALA 70 CO -0.00 0.66 -0.09 0.82 0.00 0.00 0.00 179.25 180.64 1ocr h ILE 71 N 0.87 1.32 -1.00 0.00 2.04 -0.27 -2.87 117.51 117.60 1ocr h ILE 71 Ca 0.14 -1.16 0.05 0.00 1.00 0.00 0.00 64.86 64.89 1ocr h ILE 71 Cb 0.65 1.77 -0.06 0.00 -0.74 0.00 0.00 36.82 38.44 1ocr h ILE 71 CO 0.05 0.34 0.65 0.40 0.00 0.00 0.00 178.15 179.59 1ocr h ILE 72 N -0.02 1.13 -0.55 -0.67 2.04 -1.16 -1.67 117.51 116.62 1ocr h ILE 72 Ca 0.03 -0.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 1ocr h ILE 72 Cb 0.58 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 1ocr h ILE 72 CO 0.03 0.22 0.10 -0.07 0.00 0.00 0.00 178.15 178.43 1ocr h LEU 73 N 1.22 0.81 -1.44 1.44 3.38 -1.23 -1.93 115.31 117.56 1ocr h LEU 73 Ca 0.41 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 1ocr h LEU 73 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1ocr h LEU 73 CO -0.15 0.81 -0.26 0.40 0.09 0.00 0.00 178.44 179.34 1ocr h ILE 74 N 0.82 1.20 0.00 1.22 2.04 -1.09 0.45 117.51 122.15 1ocr h ILE 74 Ca 0.17 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 1ocr h ILE 74 Cb 0.35 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1ocr h ILE 74 CO 0.00 0.27 -0.15 -0.07 0.00 0.00 0.00 178.15 178.21 1ocr h LEU 75 N 0.03 0.00 0.06 1.44 3.38 -0.79 -2.02 115.31 117.41 1ocr h LEU 75 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.66 1ocr h LEU 75 Cb 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1ocr h LEU 75 CO 0.03 0.15 -1.75 -0.38 0.09 0.00 0.00 178.44 176.58 1ocr n ILE 76 N -3.27 1.66 -0.12 1.22 5.41 -0.78 -4.53 119.36 118.95 1ocr n ILE 76 Ca 0.01 -0.38 -0.08 0.00 1.00 0.00 0.00 62.75 63.29 1ocr n ILE 76 Cb 0.40 -1.85 -0.00 0.00 -0.71 0.00 0.00 39.64 37.48 1ocr n ILE 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ocr h ALA 77 N -0.21 0.48 -0.08 -1.39 0.00 -0.86 -2.44 119.26 114.75 1ocr h ALA 77 Ca -0.41 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.49 1ocr h ALA 77 Cb 1.71 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.29 1ocr h ALA 77 CO -0.07 -0.05 -0.50 -0.07 0.00 0.00 0.00 179.25 178.57 1ocr h LEU 78 N 0.50 -1.55 -0.21 0.00 3.38 -1.60 0.85 115.31 116.67 1ocr h LEU 78 Ca 0.14 0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.31 1ocr h LEU 78 Cb -0.03 0.61 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1ocr h LEU 78 CO -0.03 -0.48 0.08 -0.65 0.09 0.00 0.00 178.44 177.45 1ocr h PRO 79 N -0.59 0.18 -0.59 1.13 0.11 -1.79 -1.17 132.00 129.29 1ocr h PRO 79 Ca 0.04 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.26 1ocr h PRO 79 Cb 0.68 -0.04 -0.10 0.00 0.11 0.00 0.00 31.00 31.65 1ocr h PRO 79 CO -0.39 0.12 0.01 1.03 -0.21 0.00 0.00 178.00 178.55 1ocr h SER 80 N 0.19 -0.25 -0.04 -2.05 0.87 -0.89 -0.24 113.55 111.14 1ocr h SER 80 Ca 0.09 0.14 -0.14 0.00 -1.23 0.00 0.00 61.79 60.65 1ocr h SER 80 Cb 0.05 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1ocr h SER 80 CO -0.08 -0.10 -0.44 -0.07 -0.53 0.00 0.00 176.83 175.61 1ocr h LEU 81 N 0.12 0.62 -0.06 2.23 3.38 -0.56 -0.51 115.31 120.54 1ocr h LEU 81 Ca 0.31 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1ocr h LEU 81 Cb 0.48 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1ocr h LEU 81 CO -0.50 0.98 -0.09 -0.09 0.09 0.00 0.00 178.44 178.83 1ocr h ARG 82 N 0.47 -0.12 -0.69 1.13 2.43 0.18 -0.49 114.38 117.29 1ocr h ARG 82 Ca 0.03 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1ocr h ARG 82 Cb 0.96 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 1ocr h ARG 82 CO 0.09 -0.08 0.17 0.82 -1.51 0.00 0.00 179.97 179.45 1ocr h ILE 83 N -0.12 1.26 -0.91 1.20 2.04 -1.16 -1.80 117.51 118.01 1ocr h ILE 83 Ca 0.06 -0.96 0.09 0.00 1.00 0.00 0.00 64.86 65.05 1ocr h ILE 83 Cb 0.20 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 1ocr h ILE 83 CO -0.13 0.37 0.56 0.25 0.00 0.00 0.00 178.15 179.19 1ocr h LEU 84 N 1.05 0.84 -0.48 1.44 5.85 -0.31 -1.35 115.31 122.35 1ocr h LEU 84 Ca 0.22 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.84 1ocr h LEU 84 Cb 0.37 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1ocr h LEU 84 CO 0.00 0.49 -0.66 1.88 -0.34 0.00 0.00 178.44 179.82 1ocr h TYR 85 N 0.95 0.00 -0.52 1.25 -1.99 -0.58 -3.16 116.97 112.92 1ocr h TYR 85 Ca 0.43 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 61.10 1ocr h TYR 85 Cb 0.33 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.04 1ocr h TYR 85 CO -0.03 0.66 0.11 0.52 -0.00 0.00 0.00 178.16 179.42 1ocr h MET 86 N 0.00 0.85 0.00 4.88 2.86 -0.44 -2.81 114.93 120.27 1ocr h MET 86 Ca -0.01 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1ocr h MET 86 Cb 1.28 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.83 1ocr h MET 86 CO 0.09 0.82 -0.01 0.52 1.06 0.00 0.00 176.91 179.38 1ocr h MET 87 N 0.74 0.00 0.00 1.72 2.86 -1.29 -2.69 114.93 116.26 1ocr h MET 87 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1ocr h MET 87 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1ocr h MET 87 CO 0.00 0.01 -0.95 -3.47 1.06 0.00 0.00 176.91 173.57 1ocr n ASP 88 N -3.20 0.64 -4.56 1.22 2.03 -1.07 -4.65 116.55 106.96 1ocr n ASP 88 Ca -0.02 -0.33 -0.40 0.00 0.52 0.00 0.00 54.79 54.56 1ocr n ASP 88 Cb 0.12 0.75 -0.03 0.00 -0.72 0.00 0.00 41.12 41.24 1ocr n ASP 88 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1ocr s GLU 89 N -3.14 3.50 0.01 -0.67 -1.05 -1.02 -4.77 118.70 111.56 1ocr s GLU 89 Ca 0.05 -1.02 -0.21 0.00 -0.15 0.00 0.00 54.97 53.65 1ocr s GLU 89 Cb 0.15 -5.28 -0.12 0.00 -0.44 0.00 0.00 34.13 28.44 1ocr s GLU 89 CO 0.80 -2.28 0.99 0.97 0.95 0.00 0.00 175.26 176.69 1ocr h ILE 90 N 6.79 0.00 -4.18 1.83 2.10 -1.86 -3.50 117.51 118.69 1ocr h ILE 90 Ca 0.17 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.85 1ocr h ILE 90 Cb 1.01 0.00 -0.00 0.00 -1.09 0.00 0.00 36.82 36.74 1ocr h ILE 90 CO 1.41 0.00 -0.15 0.59 -1.08 0.00 0.00 178.15 178.92 1ocr n ASN 91 N -4.74 -1.62 -3.08 2.19 3.02 -1.26 -4.68 115.26 105.08 1ocr n ASN 91 Ca -0.09 1.13 -0.33 0.00 -0.03 0.00 0.00 54.58 55.26 1ocr n ASN 91 Cb 0.30 -2.06 0.03 0.00 -0.61 0.00 0.00 39.78 37.44 1ocr n ASN 91 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1ocr n ASN 92 N 2.00 -4.53 -4.89 6.41 6.94 -1.26 -5.01 115.26 114.92 1ocr n ASN 92 Ca -0.00 -0.14 -0.28 0.00 -0.02 0.00 0.00 54.58 54.14 1ocr n ASN 92 Cb 0.00 -1.32 -0.00 0.00 -2.36 0.00 0.00 39.78 36.11 1ocr n ASN 92 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1ocr s PRO 93 N -2.02 3.58 0.00 -0.53 0.04 -1.26 -4.91 135.00 129.90 1ocr s PRO 93 Ca 0.32 0.35 0.19 0.00 0.04 0.00 0.00 61.00 61.90 1ocr s PRO 93 Cb -0.03 -2.31 0.30 0.00 0.04 0.00 0.00 34.50 32.50 1ocr s PRO 93 CO 0.72 -0.26 1.24 -1.13 0.04 0.00 0.00 177.00 177.61 1ocr n SER 94 N -2.25 3.00 -3.54 6.66 3.41 -0.60 -4.96 113.62 115.33 1ocr n SER 94 Ca 0.02 -1.88 -0.17 0.00 -0.26 0.00 0.00 58.87 56.58 1ocr n SER 94 Cb 0.55 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.27 1ocr n SER 94 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ocr s LEU 95 N -1.35 -0.63 -0.07 1.04 2.96 -1.25 -5.07 118.68 114.30 1ocr s LEU 95 Ca 0.29 0.77 0.03 0.00 -0.22 0.00 0.00 54.13 55.00 1ocr s LEU 95 Cb 0.18 2.44 0.01 0.00 0.50 0.00 0.00 46.19 49.32 1ocr s LEU 95 CO 0.25 -0.53 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.72 1ocr s THR 96 N -0.98 1.26 0.02 3.68 2.01 -1.26 -0.93 115.64 119.44 1ocr s THR 96 Ca -0.08 -0.55 0.05 0.00 0.31 0.00 0.00 61.69 61.42 1ocr s THR 96 Cb -0.01 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.34 1ocr s THR 96 CO 0.08 0.38 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.54 1ocr s VAL 97 N 0.61 1.30 0.16 3.82 1.01 0.29 -4.37 120.40 123.23 1ocr s VAL 97 Ca -0.15 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 60.99 1ocr s VAL 97 Cb -0.16 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1ocr s VAL 97 CO 0.04 0.18 -0.11 -0.54 0.00 0.00 0.00 175.10 174.68 1ocr s LYS 98 N -0.86 2.02 -0.00 2.72 1.02 -0.58 -1.05 119.74 123.01 1ocr s LYS 98 Ca 0.05 -1.23 -0.00 0.00 0.02 0.00 0.00 55.97 54.81 1ocr s LYS 98 Cb -0.07 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 1ocr s LYS 98 CO 0.01 0.45 0.00 -0.08 -0.92 0.00 0.00 175.35 174.81 1ocr s THR 99 N -1.55 0.00 -0.11 2.17 -1.32 -0.31 -1.18 115.64 113.34 1ocr s THR 99 Ca 0.23 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.71 1ocr s THR 99 Cb -0.09 -0.02 0.02 0.00 -1.51 0.00 0.00 72.50 70.90 1ocr s THR 99 CO 0.14 -0.01 -0.11 -0.04 -2.21 0.00 0.00 174.62 172.40 1ocr s MET 100 N -0.02 1.81 0.52 7.08 -1.94 -0.15 -2.24 119.30 124.36 1ocr s MET 100 Ca -0.00 -0.38 -0.18 0.00 -1.71 0.00 0.00 55.69 53.41 1ocr s MET 100 Cb -0.00 -1.70 -0.07 0.00 2.01 0.00 0.00 34.83 35.06 1ocr s MET 100 CO -0.00 -0.18 1.01 0.20 -0.01 0.00 0.00 175.02 176.04 1ocr s GLY 101 N 1.39 2.26 0.11 -0.03 0.00 -0.47 -1.85 107.32 108.73 1ocr s GLY 101 Ca 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 44.72 45.03 1ocr s GLY 101 CO -0.06 0.69 0.22 0.30 0.00 0.00 0.00 173.10 174.25 1ocr s HIS 102 N -2.33 0.24 -0.95 1.90 3.76 -0.57 -1.69 115.29 115.65 1ocr s HIS 102 Ca 0.63 -0.65 -0.25 0.00 -0.15 0.00 0.00 55.06 54.64 1ocr s HIS 102 Cb -0.13 -0.06 -0.09 0.00 1.11 0.00 0.00 32.58 33.41 1ocr s HIS 102 CO 0.27 -0.60 2.05 -0.65 -0.85 0.00 0.00 174.74 174.96 1ocr s GLN 103 N -3.90 2.25 0.00 1.40 -0.21 -1.26 -1.79 119.66 116.14 1ocr s GLN 103 Ca 0.09 -0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.16 1ocr s GLN 103 Cb 0.04 -5.03 0.00 0.00 1.00 0.00 0.00 33.01 29.02 1ocr s GLN 103 CO -0.07 -3.87 0.00 0.91 -2.12 0.00 0.00 175.29 170.14 1ocr n TRP 104 N 15.43 0.00 -3.62 0.91 8.01 -1.26 -5.08 117.44 131.82 1ocr n TRP 104 Ca 0.42 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.60 1ocr n TRP 104 Cb 0.46 -0.23 -0.02 0.00 -2.01 0.00 0.00 31.31 29.52 1ocr n TRP 104 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.69 178.20 1ocr s TYR 105 N -2.06 -0.03 0.05 -5.99 1.13 -0.74 -4.75 117.35 104.96 1ocr s TYR 105 Ca 0.00 0.01 0.05 0.00 -1.41 0.00 0.00 57.07 55.72 1ocr s TYR 105 Cb 0.00 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.33 1ocr s TYR 105 CO 0.00 -0.05 -0.10 -1.58 -2.51 0.00 0.00 175.55 171.31 1ocr s TRP 106 N -2.10 2.78 0.02 -3.49 0.52 -1.18 -1.51 118.94 113.98 1ocr s TRP 106 Ca 0.12 -0.12 0.07 0.00 0.02 0.00 0.00 56.10 56.19 1ocr s TRP 106 Cb 0.01 -1.52 -0.02 0.00 -1.15 0.00 0.00 33.47 30.79 1ocr s TRP 106 CO -0.03 0.37 -0.22 -1.54 0.02 0.00 0.00 176.95 175.55 1ocr s SER 107 N -1.72 2.57 0.17 2.95 1.04 -0.77 0.09 113.70 118.03 1ocr s SER 107 Ca 0.18 -0.47 0.10 0.00 0.48 0.00 0.00 55.95 56.24 1ocr s SER 107 Cb -0.11 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.72 1ocr s SER 107 CO 0.10 0.22 -0.16 -0.31 0.98 0.00 0.00 173.24 174.06 1ocr s TYR 108 N -0.67 2.51 -0.09 5.02 1.51 0.38 -0.98 117.35 125.03 1ocr s TYR 108 Ca 0.08 -0.27 -0.03 0.00 -1.01 0.00 0.00 57.07 55.84 1ocr s TYR 108 Cb -0.09 -1.25 0.04 0.00 -0.11 0.00 0.00 41.96 40.55 1ocr s TYR 108 CO 0.01 0.48 0.08 -1.21 -1.11 0.00 0.00 175.55 173.80 1ocr s GLU 109 N -2.64 -0.02 -0.29 -0.62 2.02 -0.32 -1.63 118.70 115.20 1ocr s GLU 109 Ca 0.22 0.23 -0.05 0.00 0.02 0.00 0.00 54.97 55.40 1ocr s GLU 109 Cb -0.09 -0.96 0.02 0.00 0.10 0.00 0.00 34.13 33.20 1ocr s GLU 109 CO 0.12 -0.45 0.04 0.71 0.02 0.00 0.00 175.26 175.70 1ocr s TYR 110 N 2.17 3.14 -0.07 1.61 1.51 0.14 -1.52 117.35 124.34 1ocr s TYR 110 Ca 0.04 -1.25 0.12 0.00 -1.01 0.00 0.00 57.07 54.96 1ocr s TYR 110 Cb -0.13 -2.19 0.21 0.00 -0.11 0.00 0.00 41.96 39.74 1ocr s TYR 110 CO -0.06 -0.65 1.10 0.25 -1.11 0.00 0.00 175.55 175.09 1ocr n THR 111 N 4.79 0.90 -0.23 -0.71 -2.24 -1.26 -2.38 114.28 113.14 1ocr n THR 111 Ca -0.15 -1.30 -0.01 0.00 -2.27 0.00 0.00 64.05 60.32 1ocr n THR 111 Cb 0.47 0.24 0.20 0.00 -2.10 0.00 0.00 70.33 69.13 1ocr n THR 111 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ocr h ASP 112 N 0.27 0.92 0.00 3.42 3.32 -1.94 -3.40 116.42 119.02 1ocr h ASP 112 Ca -0.03 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1ocr h ASP 112 Cb 1.29 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1ocr h ASP 112 CO 0.01 0.72 -0.61 -1.22 -1.72 0.00 0.00 179.24 176.42 1ocr n TYR 113 N -4.37 -0.10 -2.64 4.55 4.02 -1.26 -5.12 117.16 112.23 1ocr n TYR 113 Ca 0.08 0.02 -0.04 0.00 -0.01 0.00 0.00 57.90 57.95 1ocr n TYR 113 Cb 0.08 0.15 0.02 0.00 -0.02 0.00 0.00 39.34 39.57 1ocr n TYR 113 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1ocr n GLU 114 N -2.94 0.71 -2.77 -0.72 -0.58 -1.26 -5.04 120.64 108.04 1ocr n GLU 114 Ca 0.00 -0.49 -0.26 0.00 -0.42 0.00 0.00 57.16 55.99 1ocr n GLU 114 Cb 0.31 -0.08 -0.02 0.00 -0.57 0.00 0.00 31.44 31.08 1ocr n GLU 114 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1ocr n ASP 115 N -2.94 4.34 -4.66 1.62 9.92 -1.26 -4.24 116.55 119.33 1ocr n ASP 115 Ca 0.03 -3.65 -0.43 0.00 -0.53 0.00 0.00 54.79 50.21 1ocr n ASP 115 Cb 0.10 -0.52 -0.02 0.00 -0.64 0.00 0.00 41.12 40.04 1ocr n ASP 115 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1ocr s LEU 116 N -3.45 4.10 -0.04 0.64 2.96 -1.00 -5.00 118.68 116.90 1ocr s LEU 116 Ca 0.48 1.44 -0.04 0.00 -0.22 0.00 0.00 54.13 55.78 1ocr s LEU 116 Cb 0.33 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.49 1ocr s LEU 116 CO -0.15 -0.73 0.11 -0.55 -1.32 0.00 0.00 176.35 173.71 1ocr s SER 117 N 1.51 -0.10 -0.01 3.68 0.15 -1.26 -0.68 113.70 116.98 1ocr s SER 117 Ca 0.48 0.19 -0.28 0.00 0.70 0.00 0.00 55.95 57.04 1ocr s SER 117 Cb -0.17 0.23 0.06 0.00 -1.71 0.00 0.00 66.02 64.44 1ocr s SER 117 CO 0.10 -0.06 0.63 0.72 1.20 0.00 0.00 173.24 175.82 1ocr s PHE 118 N -0.04 -0.59 0.42 3.44 -0.71 -0.65 -4.99 117.98 114.86 1ocr s PHE 118 Ca -0.01 0.89 -0.04 0.00 -1.04 0.00 0.00 56.93 56.73 1ocr s PHE 118 Cb -0.01 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 42.16 1ocr s PHE 118 CO 0.00 -0.63 0.70 -0.51 -1.34 0.00 0.00 175.22 173.44 1ocr s ASP 119 N -1.50 6.32 -0.26 1.98 1.01 -1.26 -0.47 116.67 122.49 1ocr s ASP 119 Ca -0.09 0.81 -0.03 0.00 0.71 0.00 0.00 52.55 53.96 1ocr s ASP 119 Cb -0.01 -2.19 0.09 0.00 1.01 0.00 0.00 42.92 41.82 1ocr s ASP 119 CO 0.05 -0.44 0.10 -0.55 0.21 0.00 0.00 175.17 174.54 1ocr s SER 120 N -3.86 3.43 0.18 0.27 0.15 0.11 -4.66 113.70 109.32 1ocr s SER 120 Ca 0.46 -1.23 0.05 0.00 0.70 0.00 0.00 55.95 55.93 1ocr s SER 120 Cb -0.10 -0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 63.65 1ocr s SER 120 CO 0.39 -0.40 0.17 -0.31 1.20 0.00 0.00 173.24 174.29 1ocr s TYR 121 N 1.93 3.20 0.36 3.44 1.51 -1.26 -3.07 117.35 123.45 1ocr s TYR 121 Ca 0.07 -0.01 -0.26 0.00 -1.01 0.00 0.00 57.07 55.85 1ocr s TYR 121 Cb -0.17 -1.52 -0.09 0.00 -0.11 0.00 0.00 41.96 40.08 1ocr s TYR 121 CO -0.25 0.52 1.09 1.41 -1.11 0.00 0.00 175.55 177.20 1ocr s MET 122 N -3.25 4.30 -0.26 -0.62 -2.45 -1.26 -0.03 119.30 115.74 1ocr s MET 122 Ca 0.32 1.66 -0.23 0.00 -1.25 0.00 0.00 55.69 56.19 1ocr s MET 122 Cb -0.10 -2.78 -0.01 0.00 1.25 0.00 0.00 34.83 33.19 1ocr s MET 122 CO 0.24 -0.05 0.77 0.42 1.05 0.00 0.00 175.02 177.45 1ocr s ILE 123 N -1.45 4.86 0.42 10.11 1.01 0.38 -4.76 121.20 131.78 1ocr s ILE 123 Ca 0.53 1.37 -0.24 0.00 0.00 0.00 0.00 60.65 62.31 1ocr s ILE 123 Cb -0.27 -4.08 -0.11 0.00 0.01 0.00 0.00 42.46 38.02 1ocr s ILE 123 CO 0.34 -0.09 0.97 -2.65 0.00 0.00 0.00 174.94 173.51 1ocr n PRO 124 N 5.98 1.27 0.30 2.79 -0.02 -1.26 -4.73 135.00 139.33 1ocr n PRO 124 Ca 0.04 0.46 0.17 0.00 -2.02 0.00 0.00 63.50 62.14 1ocr n PRO 124 Cb 0.48 -1.99 0.92 0.00 -0.02 0.00 0.00 33.50 32.89 1ocr n PRO 124 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1ocr h THR 125 N 1.47 0.35 -0.00 3.45 1.35 -1.95 -0.26 112.91 117.32 1ocr h THR 125 Ca -0.44 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1ocr h THR 125 Cb 1.34 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1ocr h THR 125 CO 0.56 0.04 -0.05 -1.54 -0.25 0.00 0.00 175.52 174.28 1ocr n SER 126 N -3.51 0.10 -0.56 5.36 3.41 -1.26 -3.18 113.62 113.98 1ocr n SER 126 Ca -0.02 0.09 0.08 0.00 -0.26 0.00 0.00 58.87 58.75 1ocr n SER 126 Cb 0.15 -0.31 0.20 0.00 -0.26 0.00 0.00 64.21 63.98 1ocr n SER 126 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ocr n GLU 127 N -1.36 2.43 -2.81 4.33 1.02 -0.12 -5.00 120.64 119.13 1ocr n GLU 127 Ca 0.10 -2.60 -0.41 0.00 -0.02 0.00 0.00 57.16 54.23 1ocr n GLU 127 Cb 0.30 -1.63 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 1ocr n GLU 127 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ocr s LEU 128 N -2.54 4.38 0.29 -4.62 1.43 -1.16 -4.88 118.68 111.58 1ocr s LEU 128 Ca 0.34 1.55 -0.22 0.00 -1.03 0.00 0.00 54.13 54.78 1ocr s LEU 128 Cb 0.28 -3.43 -0.09 0.00 0.03 0.00 0.00 46.19 42.97 1ocr s LEU 128 CO 0.07 -0.19 0.83 -0.54 0.23 0.00 0.00 176.35 176.76 1ocr s LYS 129 N 0.78 4.35 0.16 1.70 1.02 -1.26 -4.96 119.74 121.52 1ocr s LYS 129 Ca 0.47 1.05 -0.33 0.00 0.02 0.00 0.00 55.97 57.18 1ocr s LYS 129 Cb -0.20 -2.73 -0.16 0.00 -0.52 0.00 0.00 37.83 34.21 1ocr s LYS 129 CO 0.26 0.28 1.03 -2.30 -0.92 0.00 0.00 175.35 173.70 1ocr n PRO 130 N 0.41 0.79 -0.16 -1.68 -0.02 -1.26 -1.77 135.00 131.31 1ocr n PRO 130 Ca 0.01 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1ocr n PRO 130 Cb 0.51 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 1ocr n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ocr n GLY 131 N 1.88 0.87 3.83 -1.23 0.00 -1.26 -5.06 105.19 104.23 1ocr n GLY 131 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1ocr n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ocr s GLU 132 N -0.65 4.08 -0.24 1.61 2.02 -0.73 -5.04 118.70 119.75 1ocr s GLU 132 Ca 0.00 0.62 -0.29 0.00 0.02 0.00 0.00 54.97 55.32 1ocr s GLU 132 Cb 0.00 -2.93 0.01 0.00 0.10 0.00 0.00 34.13 31.31 1ocr s GLU 132 CO 0.00 0.46 1.07 -0.51 0.02 0.00 0.00 175.26 176.30 1ocr s LEU 133 N -1.93 4.08 0.02 1.80 1.43 -1.26 -4.93 118.68 117.89 1ocr s LEU 133 Ca 0.39 1.36 -0.03 0.00 -1.03 0.00 0.00 54.13 54.81 1ocr s LEU 133 Cb -0.16 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.52 1ocr s LEU 133 CO 0.20 -0.71 0.57 -1.14 0.23 0.00 0.00 176.35 175.49 1ocr n ARG 134 N 6.44 -0.05 -0.47 1.70 0.63 -1.26 -1.97 116.66 121.68 1ocr n ARG 134 Ca 0.12 0.56 0.08 0.00 -0.92 0.00 0.00 57.85 57.69 1ocr n ARG 134 Cb 0.46 -0.84 0.26 0.00 0.45 0.00 0.00 32.46 32.79 1ocr n ARG 134 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1ocr n LEU 135 N -2.96 3.91 -0.00 6.15 4.77 -1.26 -4.46 117.00 123.14 1ocr n LEU 135 Ca 0.00 -3.07 0.05 0.00 -0.03 0.00 0.00 56.01 52.96 1ocr n LEU 135 Cb 0.03 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 40.49 1ocr n LEU 135 CO -0.02 0.71 -0.49 0.18 -1.33 0.00 0.00 177.39 176.44 1ocr n LEU 136 N -0.57 0.09 -4.73 2.23 4.77 -0.83 -4.63 117.00 113.33 1ocr n LEU 136 Ca 0.22 -0.10 -0.41 0.00 -0.03 0.00 0.00 56.01 55.69 1ocr n LEU 136 Cb 0.91 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.95 1ocr n LEU 136 CO 0.16 0.02 0.69 -1.61 -1.33 0.00 0.00 177.39 175.32 1ocr s GLU 137 N -2.52 4.68 0.04 3.23 0.41 -1.08 -4.67 118.70 118.79 1ocr s GLU 137 Ca -0.02 1.49 0.08 0.00 -0.41 0.00 0.00 54.97 56.11 1ocr s GLU 137 Cb 0.07 -3.36 -0.03 0.00 -1.78 0.00 0.00 34.13 29.02 1ocr s GLU 137 CO 0.41 0.19 -0.21 0.54 -0.49 0.00 0.00 175.26 175.70 1ocr s VAL 138 N -0.02 2.59 0.10 2.63 0.11 -1.26 0.14 120.40 124.69 1ocr s VAL 138 Ca 0.47 -1.22 -0.18 0.00 -2.93 0.00 0.00 61.98 58.13 1ocr s VAL 138 Cb -0.24 -2.06 -0.05 0.00 -1.53 0.00 0.00 36.38 32.50 1ocr s VAL 138 CO 0.30 0.37 1.59 -2.24 -3.33 0.00 0.00 175.10 171.79 1ocr h ASP 139 N 4.69 0.46 -3.69 3.54 3.04 -0.74 -3.41 116.42 120.31 1ocr h ASP 139 Ca -0.47 -0.24 -0.68 0.00 -3.24 0.00 0.00 57.03 52.39 1ocr h ASP 139 Cb 1.15 -0.12 -0.34 0.00 -1.04 0.00 0.00 39.33 38.98 1ocr h ASP 139 CO 0.46 0.59 -0.66 0.20 -2.04 0.00 0.00 179.24 177.79 1ocr s ASN 140 N -5.88 4.97 0.85 4.15 0.01 -1.26 -5.04 114.94 112.74 1ocr s ASN 140 Ca -0.13 -1.57 -0.12 0.00 -0.71 0.00 0.00 52.86 50.33 1ocr s ASN 140 Cb 0.08 -1.73 0.10 0.00 0.41 0.00 0.00 41.25 40.11 1ocr s ASN 140 CO 0.75 -0.35 1.10 -0.13 -1.51 0.00 0.00 177.10 176.95 1ocr s ARG 141 N 1.18 1.67 -0.44 -0.60 0.52 -1.26 -4.68 118.95 115.34 1ocr s ARG 141 Ca -0.00 0.67 -0.15 0.00 -0.52 0.00 0.00 55.73 55.73 1ocr s ARG 141 Cb -0.21 -1.87 0.05 0.00 0.52 0.00 0.00 34.95 33.45 1ocr s ARG 141 CO -0.03 -1.92 0.35 0.54 0.02 0.00 0.00 175.30 174.26 1ocr s VAL 142 N -3.09 5.20 0.03 3.52 0.11 -0.84 -4.96 120.40 120.38 1ocr s VAL 142 Ca 0.62 -0.90 -0.20 0.00 -2.93 0.00 0.00 61.98 58.57 1ocr s VAL 142 Cb -0.16 -4.02 -0.06 0.00 -1.53 0.00 0.00 36.38 30.62 1ocr s VAL 142 CO 0.55 -0.46 0.58 -0.69 -3.33 0.00 0.00 175.10 171.76 1ocr s VAL 143 N 1.65 4.82 0.02 2.04 1.01 -1.26 -1.39 120.40 127.29 1ocr s VAL 143 Ca 0.04 1.24 -0.13 0.00 0.00 0.00 0.00 61.98 63.13 1ocr s VAL 143 Cb -0.22 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.26 1ocr s VAL 143 CO 0.08 0.49 0.27 -0.76 0.00 0.00 0.00 175.10 175.17 1ocr s LEU 144 N -0.65 1.04 -0.02 3.92 1.43 -0.75 -4.96 118.68 118.69 1ocr s LEU 144 Ca 0.30 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.97 1ocr s LEU 144 Cb -0.19 1.17 -0.04 0.00 0.03 0.00 0.00 46.19 47.16 1ocr s LEU 144 CO 0.18 -0.52 1.21 -2.16 0.23 0.00 0.00 176.35 175.29 1ocr s PRO 145 N -2.00 4.37 1.04 1.29 0.04 -1.26 -2.68 135.00 135.81 1ocr s PRO 145 Ca -0.09 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 1ocr s PRO 145 Cb -0.03 -3.50 0.22 0.00 0.04 0.00 0.00 34.50 31.22 1ocr s PRO 145 CO -0.00 -0.40 1.07 0.00 0.04 0.00 0.00 177.00 177.71 1ocr s MET 146 N 1.90 0.05 -1.18 4.56 0.23 0.33 -3.79 119.30 121.40 1ocr s MET 146 Ca 0.57 0.72 0.00 0.00 -1.03 0.00 0.00 55.69 55.96 1ocr s MET 146 Cb -0.26 -1.68 0.00 0.00 -1.53 0.00 0.00 34.83 31.36 1ocr s MET 146 CO 0.24 -3.04 0.00 0.39 -2.03 0.00 0.00 175.02 170.58 1ocr n GLU 147 N -4.42 -1.95 -4.18 3.16 1.02 -0.44 -4.73 120.64 109.09 1ocr n GLU 147 Ca 0.05 0.66 -0.14 0.00 -0.02 0.00 0.00 57.16 57.71 1ocr n GLU 147 Cb 0.56 -5.17 -0.11 0.00 -0.02 0.00 0.00 31.44 26.70 1ocr n GLU 147 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1ocr s MET 148 N -4.53 0.86 -0.55 3.49 -1.94 -1.25 -5.00 119.30 110.38 1ocr s MET 148 Ca 0.00 -1.18 -0.23 0.00 -1.71 0.00 0.00 55.69 52.57 1ocr s MET 148 Cb 0.00 -0.53 0.05 0.00 2.01 0.00 0.00 34.83 36.36 1ocr s MET 148 CO 0.00 0.08 0.89 0.99 -0.01 0.00 0.00 175.02 176.97 1ocr s THR 149 N -2.53 4.47 0.11 2.05 2.01 -1.26 -4.33 115.64 116.16 1ocr s THR 149 Ca 0.06 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 1ocr s THR 149 Cb -0.02 -4.51 -0.05 0.00 0.01 0.00 0.00 72.50 67.92 1ocr s THR 149 CO -0.00 -1.09 0.34 -0.63 -0.69 0.00 0.00 174.62 172.54 1ocr s ILE 150 N 3.73 5.22 -0.20 1.82 1.09 0.12 -1.56 121.20 131.42 1ocr s ILE 150 Ca 0.27 -0.02 -0.04 0.00 -1.10 0.00 0.00 60.65 59.75 1ocr s ILE 150 Cb -0.14 -3.62 -0.02 0.00 -1.06 0.00 0.00 42.46 37.62 1ocr s ILE 150 CO 0.17 0.09 -0.02 -0.60 -0.10 0.00 0.00 174.94 174.48 1ocr s ARG 151 N -2.53 3.55 -0.11 2.79 3.52 -0.11 -1.48 118.95 124.59 1ocr s ARG 151 Ca 0.38 -0.56 -0.03 0.00 -0.13 0.00 0.00 55.73 55.39 1ocr s ARG 151 Cb -0.12 -3.02 -0.03 0.00 -1.56 0.00 0.00 34.95 30.21 1ocr s ARG 151 CO 0.24 -0.00 0.03 -1.64 -0.81 0.00 0.00 175.30 173.12 1ocr s MET 152 N 1.01 3.21 -0.14 5.12 -1.94 -0.27 -0.55 119.30 125.75 1ocr s MET 152 Ca 0.01 -0.36 0.02 0.00 -1.71 0.00 0.00 55.69 53.65 1ocr s MET 152 Cb -0.14 -2.92 0.01 0.00 2.01 0.00 0.00 34.83 33.79 1ocr s MET 152 CO 0.01 0.64 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.94 1ocr s LEU 153 N -0.69 2.07 -0.08 -0.03 1.43 -0.21 -1.40 118.68 119.76 1ocr s LEU 153 Ca 0.11 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1ocr s LEU 153 Cb -0.12 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 1ocr s LEU 153 CO 0.02 0.07 -0.10 -0.69 0.23 0.00 0.00 176.35 175.88 1ocr s VAL 154 N 0.86 3.37 0.13 -1.59 1.01 0.10 -1.16 120.40 123.12 1ocr s VAL 154 Ca -0.06 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1ocr s VAL 154 Cb -0.15 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.87 1ocr s VAL 154 CO -0.03 0.57 0.23 -0.24 0.00 0.00 0.00 175.10 175.63 1ocr n SER 155 N 2.64 -0.66 -3.77 3.32 2.88 -0.95 -0.94 113.62 116.13 1ocr n SER 155 Ca -0.18 -1.56 -0.11 0.00 -1.33 0.00 0.00 58.87 55.70 1ocr n SER 155 Cb 0.53 1.13 -0.07 0.00 -0.75 0.00 0.00 64.21 65.05 1ocr n SER 155 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ocr s SER 156 N -1.69 -0.06 0.00 -3.46 0.15 -1.25 -1.37 113.70 106.02 1ocr s SER 156 Ca 0.07 -0.35 0.16 0.00 0.70 0.00 0.00 55.95 56.53 1ocr s SER 156 Cb -0.01 0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 64.63 1ocr s SER 156 CO 0.05 -0.67 0.83 -0.62 1.20 0.00 0.00 173.24 174.02 1ocr n GLU 157 N 0.30 1.70 0.00 5.44 1.02 -0.68 -3.97 120.64 124.45 1ocr n GLU 157 Ca -0.17 -0.68 0.00 0.00 -0.02 0.00 0.00 57.16 56.29 1ocr n GLU 157 Cb 0.61 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 1ocr n GLU 157 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ocr n ASP 158 N -0.32 0.00 -1.79 1.62 5.68 -1.26 -5.03 116.55 115.45 1ocr n ASP 158 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1ocr n ASP 158 Cb 0.33 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1ocr n ASP 158 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1ocr n VAL 159 N 0.00 0.00 -3.04 2.12 0.24 -1.26 -4.68 118.33 111.71 1ocr n VAL 159 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 1ocr n VAL 159 Cb 0.00 -1.18 -0.05 0.00 -1.47 0.00 0.00 33.84 31.13 1ocr n VAL 159 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ocr s LEU 160 N 0.00 3.99 0.26 1.34 1.43 -1.26 -4.48 118.68 119.96 1ocr s LEU 160 Ca 0.00 1.27 -0.04 0.00 -1.03 0.00 0.00 54.13 54.34 1ocr s LEU 160 Cb 0.00 -4.10 -0.02 0.00 0.03 0.00 0.00 46.19 42.10 1ocr s LEU 160 CO 0.00 -0.27 0.33 -1.00 0.23 0.00 0.00 176.35 175.64 1ocr s HIS 161 N -2.10 0.98 -0.06 0.29 3.76 -0.40 -4.48 115.29 113.28 1ocr s HIS 161 Ca 0.54 -1.21 -0.03 0.00 -0.15 0.00 0.00 55.06 54.22 1ocr s HIS 161 Cb -0.10 -0.25 0.04 0.00 1.11 0.00 0.00 32.58 33.37 1ocr s HIS 161 CO 0.21 -0.88 0.12 0.45 -0.85 0.00 0.00 174.74 173.78 1ocr s SER 162 N -3.16 0.58 -0.39 1.40 0.15 -1.26 0.65 113.70 111.67 1ocr s SER 162 Ca 0.33 0.24 -0.21 0.00 0.70 0.00 0.00 55.95 57.00 1ocr s SER 162 Cb 0.03 0.13 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 1ocr s SER 162 CO 0.15 -0.21 0.69 0.86 1.20 0.00 0.00 173.24 175.92 1ocr s TRP 163 N 1.91 3.10 0.06 3.44 -0.00 -0.69 -1.11 118.94 125.65 1ocr s TRP 163 Ca -0.00 0.29 0.05 0.00 -0.00 0.00 0.00 56.10 56.43 1ocr s TRP 163 Cb -0.12 -3.31 -0.03 0.00 -0.00 0.00 0.00 33.47 30.01 1ocr s TRP 163 CO -0.05 -0.75 -0.14 0.00 -0.00 0.00 0.00 176.95 176.02 1ocr s ALA 164 N 2.90 1.14 -0.38 5.86 0.00 -1.26 -2.19 121.76 127.82 1ocr s ALA 164 Ca 0.26 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.30 1ocr s ALA 164 Cb -0.14 -0.10 0.16 0.00 0.00 0.00 0.00 23.12 23.04 1ocr s ALA 164 CO 0.17 0.17 0.38 0.08 0.00 0.00 0.00 175.76 176.56 1ocr s VAL 165 N -1.20 -0.25 0.13 0.00 1.01 -0.41 -3.36 120.40 116.31 1ocr s VAL 165 Ca -0.02 -1.25 -0.24 0.00 0.00 0.00 0.00 61.98 60.47 1ocr s VAL 165 Cb -0.10 -0.73 -0.06 0.00 0.00 0.00 0.00 36.38 35.50 1ocr s VAL 165 CO 0.02 -0.66 1.35 -2.65 0.00 0.00 0.00 175.10 173.16 1ocr n PRO 166 N 3.97 -0.35 -0.44 2.72 -0.02 -1.26 -1.52 135.00 138.09 1ocr n PRO 166 Ca 0.14 1.33 0.41 0.00 -2.02 0.00 0.00 63.50 63.36 1ocr n PRO 166 Cb 0.45 -1.96 0.77 0.00 -0.02 0.00 0.00 33.50 32.75 1ocr n PRO 166 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1ocr h SER 167 N 0.00 0.00 0.06 2.55 0.02 -1.84 0.24 113.55 114.59 1ocr h SER 167 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1ocr h SER 167 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1ocr h SER 167 CO -0.74 -0.00 -0.94 0.18 -1.14 0.00 0.00 176.83 174.19 1ocr n LEU 168 N -4.11 0.93 -0.72 5.07 4.77 -0.58 -0.77 117.00 121.60 1ocr n LEU 168 Ca 0.32 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1ocr n LEU 168 Cb 1.49 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 42.55 1ocr n LEU 168 CO 0.42 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1ocr n GLY 169 N 1.50 0.72 3.20 -0.72 0.00 0.86 -4.31 105.19 106.45 1ocr n GLY 169 Ca 0.04 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 1ocr n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ocr s LEU 170 N -1.44 2.14 -0.30 0.99 1.43 -1.14 -4.92 118.68 115.44 1ocr s LEU 170 Ca 0.00 -0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 52.53 1ocr s LEU 170 Cb 0.00 -0.86 0.18 0.00 0.03 0.00 0.00 46.19 45.54 1ocr s LEU 170 CO 0.00 0.13 0.94 -0.75 0.23 0.00 0.00 176.35 176.90 1ocr s LYS 171 N -1.03 0.29 -0.06 1.70 2.20 -1.25 -1.29 119.74 120.30 1ocr s LYS 171 Ca 0.06 0.54 -0.01 0.00 -0.36 0.00 0.00 55.97 56.19 1ocr s LYS 171 Cb -0.08 0.30 0.03 0.00 -1.51 0.00 0.00 37.83 36.57 1ocr s LYS 171 CO 0.01 -0.29 0.02 0.99 -0.36 0.00 0.00 175.35 175.72 1ocr s THR 172 N 2.88 0.24 0.63 3.43 2.01 -0.93 -5.00 115.64 118.90 1ocr s THR 172 Ca 0.04 0.19 -0.18 0.00 0.31 0.00 0.00 61.69 62.05 1ocr s THR 172 Cb -0.11 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 1ocr s THR 172 CO -0.14 0.23 1.24 -1.81 -0.69 0.00 0.00 174.62 173.45 1ocr s ASP 173 N 1.94 4.88 -0.33 3.53 1.11 -1.26 -1.70 116.67 124.84 1ocr s ASP 173 Ca 0.04 2.47 -0.07 0.00 0.18 0.00 0.00 52.55 55.16 1ocr s ASP 173 Cb -0.12 -2.60 0.03 0.00 1.07 0.00 0.00 42.92 41.29 1ocr s ASP 173 CO -0.04 -1.80 0.11 0.00 1.18 0.00 0.00 175.17 174.62 1ocr s ALA 174 N -1.56 3.08 -0.10 5.23 0.00 0.21 -4.71 121.76 123.91 1ocr s ALA 174 Ca 0.79 -1.67 0.03 0.00 0.00 0.00 0.00 51.96 51.11 1ocr s ALA 174 Cb -0.33 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.51 1ocr s ALA 174 CO 0.37 -1.25 -0.20 0.42 0.00 0.00 0.00 175.76 175.10 1ocr s ILE 175 N 1.45 1.80 0.20 0.00 1.01 -1.26 -1.27 121.20 123.12 1ocr s ILE 175 Ca -0.00 -0.85 -0.32 0.00 0.00 0.00 0.00 60.65 59.47 1ocr s ILE 175 Cb -0.19 -1.59 -0.15 0.00 0.01 0.00 0.00 42.46 40.55 1ocr s ILE 175 CO 0.03 0.50 1.32 -2.65 0.00 0.00 0.00 174.94 174.14 1ocr n PRO 176 N 3.80 1.64 -0.96 2.79 -0.02 -1.25 -1.26 135.00 139.74 1ocr n PRO 176 Ca -0.20 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1ocr n PRO 176 Cb 0.52 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1ocr n PRO 176 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ocr n GLY 177 N 2.20 0.54 3.03 -1.23 0.00 -1.26 -4.95 105.19 103.51 1ocr n GLY 177 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 1ocr n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ocr s ARG 178 N -0.37 0.66 -0.35 1.61 3.52 -0.39 -5.12 118.95 118.53 1ocr s ARG 178 Ca 0.00 -0.39 -0.05 0.00 -0.13 0.00 0.00 55.73 55.16 1ocr s ARG 178 Cb 0.00 -0.62 0.06 0.00 -1.56 0.00 0.00 34.95 32.82 1ocr s ARG 178 CO 0.00 0.17 0.10 -0.51 -0.81 0.00 0.00 175.30 174.25 1ocr s LEU 179 N -0.44 4.42 -0.14 -0.88 1.43 -1.26 -4.31 118.68 117.50 1ocr s LEU 179 Ca 0.01 -1.34 -0.09 0.00 -1.03 0.00 0.00 54.13 51.68 1ocr s LEU 179 Cb -0.04 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1ocr s LEU 179 CO -0.00 -0.36 0.17 0.20 0.23 0.00 0.00 176.35 176.59 1ocr s ASN 180 N 1.50 6.37 -0.09 2.29 0.01 -0.12 -4.87 114.94 120.03 1ocr s ASN 180 Ca -0.01 0.44 -0.03 0.00 -0.71 0.00 0.00 52.86 52.55 1ocr s ASN 180 Cb -0.20 -2.10 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 1ocr s ASN 180 CO 0.01 0.32 0.05 -1.58 -1.51 0.00 0.00 177.10 174.38 1ocr s GLN 181 N -0.54 3.14 0.06 -0.60 0.74 -1.26 0.03 119.66 121.22 1ocr s GLN 181 Ca 0.14 -0.32 -0.03 0.00 0.05 0.00 0.00 55.36 55.20 1ocr s GLN 181 Cb -0.12 -2.93 -0.03 0.00 1.10 0.00 0.00 33.01 31.03 1ocr s GLN 181 CO 0.03 0.73 0.03 -0.08 -0.55 0.00 0.00 175.29 175.45 1ocr s THR 182 N -0.94 0.19 -0.24 -0.34 -1.32 -0.50 -5.00 115.64 107.48 1ocr s THR 182 Ca 0.14 -1.55 -0.03 0.00 -1.21 0.00 0.00 61.69 59.04 1ocr s THR 182 Cb -0.12 -1.35 0.01 0.00 -1.51 0.00 0.00 72.50 69.54 1ocr s THR 182 CO 0.03 -0.86 -0.04 -0.89 -2.21 0.00 0.00 174.62 170.66 1ocr s THR 183 N -3.64 3.16 -0.08 5.08 2.01 -1.26 -1.11 115.64 119.80 1ocr s THR 183 Ca 0.04 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.20 1ocr s THR 183 Cb 0.05 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 1ocr s THR 183 CO -0.09 0.28 0.14 -0.22 -0.69 0.00 0.00 174.62 174.03 1ocr s LEU 184 N 1.40 4.31 -0.30 4.42 0.20 -0.55 -4.98 118.68 123.18 1ocr s LEU 184 Ca 0.03 0.40 -0.06 0.00 0.69 0.00 0.00 54.13 55.19 1ocr s LEU 184 Cb -0.16 -2.20 0.17 0.00 -0.43 0.00 0.00 46.19 43.57 1ocr s LEU 184 CO -0.04 0.36 0.69 -0.32 -0.29 0.00 0.00 176.35 176.76 1ocr s MET 185 N -1.29 0.51 -0.10 1.98 -2.45 -1.26 -0.70 119.30 115.99 1ocr s MET 185 Ca 0.18 1.01 -0.02 0.00 -1.25 0.00 0.00 55.69 55.62 1ocr s MET 185 Cb -0.12 0.58 -0.03 0.00 1.25 0.00 0.00 34.83 36.51 1ocr s MET 185 CO 0.08 -0.43 -0.00 0.45 1.05 0.00 0.00 175.02 176.17 1ocr s SER 186 N 2.85 5.18 -0.08 1.11 0.15 -1.26 -4.42 113.70 117.24 1ocr s SER 186 Ca 0.10 0.11 0.19 0.00 0.70 0.00 0.00 55.95 57.05 1ocr s SER 186 Cb -0.13 -1.52 0.67 0.00 -1.71 0.00 0.00 66.02 63.33 1ocr s SER 186 CO -0.19 0.35 1.58 -1.54 1.20 0.00 0.00 173.24 174.63 1ocr n SER 187 N 2.36 4.39 -3.74 5.45 3.41 -0.54 -1.32 113.62 123.62 1ocr n SER 187 Ca -0.18 -2.31 -0.13 0.00 -0.26 0.00 0.00 58.87 55.99 1ocr n SER 187 Cb 0.53 -0.53 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1ocr n SER 187 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ocr s ARG 188 N -1.58 0.74 0.69 4.33 0.52 -1.26 -4.88 118.95 117.51 1ocr s ARG 188 Ca 0.49 -0.28 -0.08 0.00 -0.52 0.00 0.00 55.73 55.34 1ocr s ARG 188 Cb 0.30 0.33 0.05 0.00 0.52 0.00 0.00 34.95 36.14 1ocr s ARG 188 CO 0.26 -0.22 1.02 -1.25 0.02 0.00 0.00 175.30 175.13 1ocr s PRO 189 N -1.75 2.41 0.00 3.54 0.04 -1.26 -4.82 135.00 133.15 1ocr s PRO 189 Ca -0.10 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 60.86 1ocr s PRO 189 Cb -0.03 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1ocr s PRO 189 CO 0.02 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.34 1ocr n GLY 190 N -2.90 0.21 3.31 0.56 0.00 -0.40 -4.91 105.19 101.06 1ocr n GLY 190 Ca 0.07 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 1ocr n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ocr s LEU 191 N 0.00 2.33 -0.07 0.99 1.43 -1.26 -0.77 118.68 121.33 1ocr s LEU 191 Ca 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1ocr s LEU 191 Cb 0.00 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1ocr s LEU 191 CO 0.00 0.22 -0.06 -0.31 0.23 0.00 0.00 176.35 176.43 1ocr s TYR 192 N 0.02 1.08 0.16 0.29 2.02 0.19 -4.84 117.35 116.27 1ocr s TYR 192 Ca -0.07 -0.41 0.04 0.00 -0.37 0.00 0.00 57.07 56.25 1ocr s TYR 192 Cb -0.15 -0.93 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 1ocr s TYR 192 CO 0.05 -0.32 0.23 0.71 -1.57 0.00 0.00 175.55 174.66 1ocr s TYR 193 N 1.27 3.36 0.27 2.71 1.51 -1.26 -0.49 117.35 124.73 1ocr s TYR 193 Ca -0.05 0.06 -0.16 0.00 -1.01 0.00 0.00 57.07 55.92 1ocr s TYR 193 Cb -0.14 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.12 1ocr s TYR 193 CO -0.02 0.51 0.59 0.20 -1.11 0.00 0.00 175.55 175.73 1ocr s GLY 194 N -3.23 0.31 0.05 0.71 0.00 0.27 -4.28 107.32 101.15 1ocr s GLY 194 Ca 0.33 -0.67 -0.04 0.00 0.00 0.00 0.00 44.72 44.34 1ocr s GLY 194 CO 0.27 -0.41 0.06 1.20 0.00 0.00 0.00 173.10 174.22 1ocr s GLN 195 N -3.83 0.64 0.09 2.90 -0.21 -1.21 -0.58 119.66 117.46 1ocr s GLN 195 Ca 0.18 -0.98 -0.34 0.00 0.02 0.00 0.00 55.36 54.24 1ocr s GLN 195 Cb -0.03 0.24 -0.14 0.00 1.00 0.00 0.00 33.01 34.08 1ocr s GLN 195 CO 0.09 -0.16 1.62 0.00 -2.12 0.00 0.00 175.29 174.72 1ocr n SER 197 N 4.05 4.86 -3.65 0.00 7.64 -0.27 -4.88 113.62 121.36 1ocr n SER 197 Ca 0.19 -3.78 -0.05 0.00 1.01 0.00 0.00 58.87 56.24 1ocr n SER 197 Cb 0.27 -0.54 -0.06 0.00 -1.01 0.00 0.00 64.21 62.87 1ocr n SER 197 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1ocr s GLU 198 N -3.56 0.53 -0.06 1.43 2.56 -1.26 -4.57 118.70 113.76 1ocr s GLU 198 Ca 0.52 1.26 -0.35 0.00 0.00 0.00 0.00 54.97 56.40 1ocr s GLU 198 Cb 0.43 0.53 -0.13 0.00 2.00 0.00 0.00 34.13 36.96 1ocr s GLU 198 CO 0.01 -0.20 1.78 1.51 -0.56 0.00 0.00 175.26 177.81 1ocr n ILE 199 N 5.12 0.41 -1.26 -3.70 3.06 -1.26 -4.58 119.36 117.13 1ocr n ILE 199 Ca -0.14 -0.07 0.05 0.00 -2.50 0.00 0.00 62.75 60.09 1ocr n ILE 199 Cb 0.52 -1.67 0.07 0.00 0.54 0.00 0.00 39.64 39.10 1ocr n ILE 199 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ocr n GLY 201 N -0.80 0.11 0.37 0.00 0.00 -1.26 -4.79 105.19 98.82 1ocr n GLY 201 Ca 0.08 -2.26 0.13 0.00 0.00 0.00 0.00 46.02 43.97 1ocr n GLY 201 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ocr h SER 202 N 0.00 0.67 -0.70 1.61 4.64 -2.03 -2.43 113.55 115.30 1ocr h SER 202 Ca 0.00 0.05 -0.45 0.00 -0.47 0.00 0.00 61.79 60.92 1ocr h SER 202 Cb 0.00 -0.08 -0.26 0.00 -0.31 0.00 0.00 62.40 61.75 1ocr h SER 202 CO 0.00 0.31 0.05 0.59 -0.87 0.00 0.00 176.83 176.91 1ocr n ASN 203 N -4.59 4.63 0.27 4.97 4.13 -1.26 -4.62 115.26 118.79 1ocr n ASN 203 Ca 0.19 -3.77 0.11 0.00 1.68 0.00 0.00 54.58 52.79 1ocr n ASN 203 Cb 0.51 -0.67 0.74 0.00 -1.54 0.00 0.00 39.78 38.83 1ocr n ASN 203 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 1ocr h HIS 204 N 1.58 0.00 -0.00 3.10 -0.00 -1.74 -1.46 115.15 116.63 1ocr h HIS 204 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.78 1ocr h HIS 204 Cb 1.53 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.94 1ocr h HIS 204 CO 1.16 0.02 -0.06 0.43 -0.00 0.00 0.00 177.93 179.48 1ocr n SER 205 N -4.21 0.11 -2.78 3.26 7.64 -1.26 -4.34 113.62 112.03 1ocr n SER 205 Ca -0.03 0.08 -0.25 0.00 1.01 0.00 0.00 58.87 59.69 1ocr n SER 205 Cb 0.10 -0.31 -0.02 0.00 -1.01 0.00 0.00 64.21 62.98 1ocr n SER 205 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ocr n PHE 206 N -1.36 3.22 -2.94 1.43 3.72 -0.55 -4.82 117.46 116.15 1ocr n PHE 206 Ca 0.10 -3.58 -0.14 0.00 -0.05 0.00 0.00 57.45 53.78 1ocr n PHE 206 Cb 0.30 -0.33 0.02 0.00 -0.94 0.00 0.00 39.48 38.53 1ocr n PHE 206 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ocr n MET 207 N -0.26 0.90 -0.85 -1.08 0.00 -1.26 -4.66 117.12 109.91 1ocr n MET 207 Ca 0.32 -2.52 -0.29 0.00 0.00 0.00 0.00 57.70 55.20 1ocr n MET 207 Cb 0.55 -1.34 0.24 0.00 0.00 0.00 0.00 33.22 32.66 1ocr n MET 207 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1ocr s PRO 208 N -0.65 -1.14 -0.04 3.17 0.04 -1.26 -3.48 135.00 131.64 1ocr s PRO 208 Ca 0.31 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1ocr s PRO 208 Cb 0.27 -1.57 0.03 0.00 0.04 0.00 0.00 34.50 33.26 1ocr s PRO 208 CO -0.11 -3.73 -0.02 0.42 0.04 0.00 0.00 177.00 173.60 1ocr s ILE 209 N -2.74 0.32 -0.10 0.56 1.01 0.26 -4.84 121.20 115.67 1ocr s ILE 209 Ca 0.69 0.02 0.01 0.00 0.00 0.00 0.00 60.65 61.36 1ocr s ILE 209 Cb -0.16 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 41.94 1ocr s ILE 209 CO 0.59 0.18 -0.11 -0.69 0.00 0.00 0.00 174.94 174.91 1ocr s VAL 210 N 1.06 1.20 -0.12 2.92 1.01 -1.26 -0.56 120.40 124.65 1ocr s VAL 210 Ca -0.09 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 1ocr s VAL 210 Cb -0.14 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1ocr s VAL 210 CO -0.01 0.38 0.08 -0.76 0.00 0.00 0.00 175.10 174.79 1ocr s LEU 211 N 1.21 4.02 -0.22 3.92 1.02 0.36 -1.98 118.68 127.00 1ocr s LEU 211 Ca -0.04 0.30 0.02 0.00 0.02 0.00 0.00 54.13 54.43 1ocr s LEU 211 Cb -0.14 -1.97 0.05 0.00 0.02 0.00 0.00 46.19 44.15 1ocr s LEU 211 CO -0.03 0.37 -0.11 -0.70 0.02 0.00 0.00 176.35 175.90 1ocr s GLU 212 N -0.78 2.12 -0.21 1.70 2.12 -0.49 -0.64 118.70 122.53 1ocr s GLU 212 Ca 0.13 -1.03 -0.06 0.00 0.36 0.00 0.00 54.97 54.37 1ocr s GLU 212 Cb -0.12 -2.61 -0.03 0.00 0.26 0.00 0.00 34.13 31.63 1ocr s GLU 212 CO 0.03 -0.48 0.02 -0.51 -0.54 0.00 0.00 175.26 173.77 1ocr s LEU 213 N 1.29 3.34 0.18 2.70 1.02 0.06 -1.81 118.68 125.45 1ocr s LEU 213 Ca -0.04 -0.18 -0.01 0.00 0.02 0.00 0.00 54.13 53.92 1ocr s LEU 213 Cb -0.18 -1.86 -0.04 0.00 0.02 0.00 0.00 46.19 44.14 1ocr s LEU 213 CO -0.07 0.06 0.10 0.68 0.02 0.00 0.00 176.35 177.14 1ocr s VAL 214 N 1.05 0.04 0.83 -1.59 -7.23 -1.09 -1.28 120.40 111.14 1ocr s VAL 214 Ca 0.03 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.10 1ocr s VAL 214 Cb -0.14 -2.34 0.09 0.00 0.56 0.00 0.00 36.38 34.55 1ocr s VAL 214 CO 0.02 -0.16 1.17 -2.84 -0.31 0.00 0.00 175.10 172.98 1ocr s PRO 215 N -4.12 1.58 0.15 4.82 0.02 -1.26 -0.52 135.00 135.67 1ocr s PRO 215 Ca 0.34 1.62 -0.27 0.00 0.02 0.00 0.00 61.00 62.71 1ocr s PRO 215 Cb 0.07 -1.78 -0.01 0.00 0.02 0.00 0.00 34.50 32.80 1ocr s PRO 215 CO 0.08 -2.23 1.58 1.25 -0.33 0.00 0.00 177.00 177.35 1ocr h LEU 216 N -1.15 -1.39 -0.95 -5.54 6.46 -1.92 -1.91 115.31 108.90 1ocr h LEU 216 Ca -0.45 0.21 0.24 0.00 -0.12 0.00 0.00 57.88 57.76 1ocr h LEU 216 Cb 1.28 0.61 -0.18 0.00 -0.73 0.00 0.00 40.66 41.64 1ocr h LEU 216 CO 0.46 -0.37 -0.04 0.50 -0.62 0.00 0.00 178.44 178.37 1ocr h LYS 217 N -0.34 0.02 0.00 1.25 3.64 -2.01 1.09 116.57 120.22 1ocr h LYS 217 Ca 0.13 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 1ocr h LYS 217 Cb 0.59 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1ocr h LYS 217 CO -0.55 0.01 -0.37 1.88 -2.27 0.00 0.00 179.45 178.16 1ocr h TYR 218 N 0.02 0.00 -0.17 1.91 -1.99 -1.72 -3.17 116.97 111.85 1ocr h TYR 218 Ca 0.54 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.24 1ocr h TYR 218 Cb 1.04 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.76 1ocr h TYR 218 CO -0.54 0.37 -0.01 0.35 -0.00 0.00 0.00 178.16 178.32 1ocr h PHE 219 N 0.00 0.35 -0.42 4.88 3.57 0.19 -2.45 116.94 123.06 1ocr h PHE 219 Ca -0.00 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.48 1ocr h PHE 219 Cb 1.08 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.68 1ocr h PHE 219 CO 0.00 0.55 0.14 0.93 -2.23 0.00 0.00 178.31 177.69 1ocr h GLU 220 N 0.05 0.29 -0.58 1.11 5.08 -1.24 0.16 114.58 119.45 1ocr h GLU 220 Ca 0.05 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1ocr h GLU 220 Cb 0.42 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1ocr h GLU 220 CO 0.01 0.19 0.06 0.87 -1.00 0.00 0.00 179.01 179.14 1ocr h LYS 221 N 0.29 0.96 -0.62 2.33 1.57 -1.59 -1.82 116.57 117.69 1ocr h LYS 221 Ca 0.19 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1ocr h LYS 221 Cb 0.19 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1ocr h LYS 221 CO -0.21 0.92 0.18 2.35 -0.57 0.00 0.00 179.45 182.12 1ocr h TRP 222 N 0.90 1.01 0.15 -1.35 7.01 -0.90 -0.50 115.95 122.27 1ocr h TRP 222 Ca 0.18 -0.11 0.02 0.00 2.11 0.00 0.00 58.89 61.09 1ocr h TRP 222 Cb 0.45 -0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 27.18 1ocr h TRP 222 CO 0.03 0.83 -0.33 0.77 -2.79 0.00 0.00 178.44 176.95 1ocr h SER 223 N 0.89 -0.96 -0.83 2.65 0.02 -0.16 -1.25 113.55 113.91 1ocr h SER 223 Ca 0.20 0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.30 1ocr h SER 223 Cb 0.31 0.36 -0.05 0.00 0.14 0.00 0.00 62.40 63.16 1ocr h SER 223 CO -0.00 -0.43 0.54 0.00 -1.14 0.00 0.00 176.83 175.80 1ocr h ALA 224 N 0.03 1.52 0.00 3.77 0.00 -1.15 -0.85 119.26 122.58 1ocr h ALA 224 Ca 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ocr h ALA 224 Cb 0.60 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ocr h ALA 224 CO -0.18 0.39 -0.09 0.66 0.00 0.00 0.00 179.25 180.03 1ocr h SER 225 N 0.99 0.00 -0.17 0.00 4.64 -0.40 -2.44 113.55 116.17 1ocr h SER 225 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1ocr h SER 225 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1ocr h SER 225 CO -0.11 0.09 0.00 0.23 -0.87 0.00 0.00 176.83 176.17 1ocr n MET 226 N -3.23 1.54 0.00 4.77 2.81 -0.33 -5.09 117.12 117.59 1ocr n MET 226 Ca 0.00 -0.82 0.00 0.00 -1.81 0.00 0.00 57.70 55.07 1ocr n MET 226 Cb 0.35 -1.29 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 1ocr n MET 226 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76