#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 3.72 0.28 3.17 0.00 -1.26 -4.75 121.76 122.93 1ocr s ALA 2 Ca 0.00 -0.33 0.08 0.00 0.00 0.00 0.00 51.96 51.71 1ocr s ALA 2 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 1ocr s ALA 2 CO 0.00 0.47 0.18 1.52 0.00 0.00 0.00 175.76 177.92 1ocr s TYR 3 N -0.89 2.95 0.34 0.00 1.13 -1.26 -5.07 117.35 114.54 1ocr s TYR 3 Ca 0.21 -0.20 -0.28 0.00 -1.41 0.00 0.00 57.07 55.39 1ocr s TYR 3 Cb -0.15 -1.48 -0.12 0.00 -1.10 0.00 0.00 41.96 39.10 1ocr s TYR 3 CO 0.11 0.44 1.36 -2.30 -2.51 0.00 0.00 175.55 172.65 1ocr n PRO 4 N -1.17 2.28 -2.61 -3.49 -0.02 -1.26 -2.69 135.00 126.04 1ocr n PRO 4 Ca -0.06 0.80 -0.19 0.00 -2.02 0.00 0.00 63.50 62.03 1ocr n PRO 4 Cb 0.59 -2.44 0.01 0.00 -0.02 0.00 0.00 33.50 31.64 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 0.72 -2.77 -2.62 -0.52 0.00 -1.26 -4.98 117.12 105.69 1ocr n MET 5 Ca 0.05 0.87 -0.36 0.00 0.00 0.00 0.00 57.70 58.25 1ocr n MET 5 Cb 0.36 -5.46 -0.05 0.00 0.00 0.00 0.00 33.22 28.08 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 -5.21 4.23 -0.15 2.12 0.74 -1.09 -4.99 119.66 115.30 1ocr s GLN 6 Ca 0.12 1.43 -0.05 0.00 0.05 0.00 0.00 55.36 56.91 1ocr s GLN 6 Cb -0.05 -2.52 -0.08 0.00 1.10 0.00 0.00 33.01 31.46 1ocr s GLN 6 CO 0.15 -0.07 -0.18 1.28 -0.55 0.00 0.00 175.29 175.92 1ocr n LEU 7 N -0.07 1.74 0.00 3.68 4.32 -1.26 -5.07 117.00 120.34 1ocr n LEU 7 Ca 0.05 0.10 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 1ocr n LEU 7 Cb 0.50 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 1ocr n LEU 7 CO 0.44 0.47 0.00 0.61 -1.22 0.00 0.00 177.39 177.68 1ocr n GLY 8 N 2.28 2.56 3.80 -0.72 0.00 -1.26 -5.10 105.19 106.75 1ocr n GLY 8 Ca -0.29 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 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 2.48 2.91 0.61 1.61 0.08 -1.26 -5.02 117.98 119.39 1ocr s PHE 9 Ca 0.00 1.50 -0.18 0.00 0.12 0.00 0.00 56.93 58.37 1ocr s PHE 9 Cb 0.00 -3.01 -0.03 0.00 -0.57 0.00 0.00 43.02 39.42 1ocr s PHE 9 CO 0.00 -1.33 1.16 -0.65 -0.10 0.00 0.00 175.22 174.30 1ocr s GLN 10 N -4.44 2.98 0.46 0.44 -0.21 -1.26 -4.93 119.66 112.69 1ocr s GLN 10 Ca 0.62 1.63 -0.24 0.00 0.02 0.00 0.00 55.36 57.40 1ocr s GLN 10 Cb -0.16 -1.95 -0.09 0.00 1.00 0.00 0.00 33.01 31.81 1ocr s GLN 10 CO 0.45 -1.16 1.20 -0.25 -2.12 0.00 0.00 175.29 173.42 1ocr n ASP 11 N -1.81 2.15 -4.71 5.90 9.92 -1.26 -4.84 116.55 121.90 1ocr n ASP 11 Ca 0.12 1.04 -0.42 0.00 -0.53 0.00 0.00 54.79 55.00 1ocr n ASP 11 Cb 0.51 -1.47 -0.03 0.00 -0.64 0.00 0.00 41.12 39.48 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 3.32 -0.14 2.24 0.00 -1.26 -4.70 121.76 119.96 1ocr s ALA 12 Ca 0.64 0.65 0.22 0.00 0.00 0.00 0.00 51.96 53.48 1ocr s ALA 12 Cb -0.49 -3.41 -0.18 0.00 0.00 0.00 0.00 23.12 19.03 1ocr s ALA 12 CO 0.55 -0.42 0.75 2.41 0.00 0.00 0.00 175.76 179.05 1ocr n THR 13 N 4.07 0.29 -4.52 0.00 -1.04 -0.32 -4.91 114.28 107.85 1ocr n THR 13 Ca 0.08 -0.52 -0.24 0.00 -2.04 0.00 0.00 64.05 61.33 1ocr n THR 13 Cb 0.48 -0.15 -0.10 0.00 -1.82 0.00 0.00 70.33 68.74 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 -4.89 2.88 0.18 8.00 1.04 -1.25 -1.70 113.70 117.96 1ocr s SER 14 Ca -0.04 -1.41 -0.07 0.00 0.48 0.00 0.00 55.95 54.90 1ocr s SER 14 Cb 0.12 -0.08 0.08 0.00 0.10 0.00 0.00 66.02 66.23 1ocr s SER 14 CO 0.85 -0.61 1.54 -0.65 0.98 0.00 0.00 173.24 175.35 1ocr h PRO 15 N 1.96 0.79 -0.46 4.02 0.11 -1.92 -2.67 132.00 133.84 1ocr h PRO 15 Ca -0.41 -0.40 -0.14 0.00 0.11 0.00 0.00 66.00 65.16 1ocr h PRO 15 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1ocr h PRO 15 CO 0.72 1.03 -0.26 -0.84 -0.21 0.00 0.00 178.00 178.44 1ocr h ILE 16 N 0.65 1.27 -0.25 4.15 3.07 -1.93 -1.18 117.51 123.28 1ocr h ILE 16 Ca 0.06 -1.43 -0.01 0.00 1.55 0.00 0.00 64.86 65.03 1ocr h ILE 16 Cb 0.92 1.19 -0.01 0.00 -0.27 0.00 0.00 36.82 38.65 1ocr h ILE 16 CO 0.08 0.49 0.11 -0.03 -1.05 0.00 0.00 178.15 177.75 1ocr h MET 17 N 0.83 0.35 0.04 0.16 4.05 -1.74 0.13 114.93 118.75 1ocr h MET 17 Ca 0.10 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1ocr h MET 17 Cb 0.84 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.57 1ocr h MET 17 CO 0.07 0.29 -0.02 0.93 0.23 0.00 0.00 176.91 178.42 1ocr h GLU 18 N 0.35 -0.05 -0.73 0.39 5.08 -1.12 -2.02 114.58 116.49 1ocr h GLU 18 Ca 0.09 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.60 1ocr h GLU 18 Cb 0.07 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.23 1ocr h GLU 18 CO -0.01 0.23 0.22 0.93 -1.00 0.00 0.00 179.01 179.38 1ocr h GLU 19 N -0.33 0.32 -0.76 2.33 4.39 0.06 -1.95 114.58 118.64 1ocr h GLU 19 Ca -0.01 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1ocr h GLU 19 Cb 0.30 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1ocr h GLU 19 CO 0.01 0.21 0.28 -0.07 -1.16 0.00 0.00 179.01 178.28 1ocr h LEU 20 N 0.33 1.07 -0.69 1.33 3.38 -0.52 -1.26 115.31 118.95 1ocr h LEU 20 Ca 0.40 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.25 1ocr h LEU 20 Cb 0.65 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1ocr h LEU 20 CO -0.46 0.97 0.38 -0.07 0.09 0.00 0.00 178.44 179.36 1ocr h LEU 21 N 1.12 0.57 -0.40 1.67 3.38 -0.62 0.30 115.31 121.33 1ocr h LEU 21 Ca 0.25 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 58.08 1ocr h LEU 21 Cb 0.25 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1ocr h LEU 21 CO -0.02 0.36 -0.49 0.45 0.09 0.00 0.00 178.44 178.84 1ocr h HIS 22 N 0.70 1.00 -0.34 1.13 3.86 -1.17 -1.37 115.15 118.97 1ocr h HIS 22 Ca 0.31 -0.33 -0.09 0.00 -1.16 0.00 0.00 60.37 59.09 1ocr h HIS 22 Cb 0.20 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1ocr h HIS 22 CO -0.08 1.14 -0.18 0.35 0.86 0.00 0.00 177.93 180.02 1ocr h PHE 23 N 0.64 0.70 -0.19 2.45 3.57 -0.58 -2.26 116.94 121.26 1ocr h PHE 23 Ca 0.03 -0.14 -0.12 0.00 3.53 0.00 0.00 57.97 61.27 1ocr h PHE 23 Cb 1.07 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1ocr h PHE 23 CO 0.06 0.77 -0.39 1.25 -2.23 0.00 0.00 178.31 177.77 1ocr h HIS 24 N 0.56 0.51 -0.73 0.41 2.76 -0.22 -1.87 115.15 116.57 1ocr h HIS 24 Ca 0.09 -0.14 -0.03 0.00 -2.20 0.00 0.00 60.37 58.09 1ocr h HIS 24 Cb 0.63 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.45 1ocr h HIS 24 CO 0.03 0.76 0.35 -0.44 -1.30 0.00 0.00 177.93 177.33 1ocr h ASP 25 N 0.36 0.95 0.39 3.26 3.32 -0.88 -0.12 116.42 123.70 1ocr h ASP 25 Ca 0.03 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1ocr h ASP 25 Cb 0.84 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1ocr h ASP 25 CO 0.07 0.82 -0.19 -0.74 -1.72 0.00 0.00 179.24 177.48 1ocr h HIS 26 N 1.02 -0.49 -0.42 4.55 -0.00 -1.20 -1.67 115.15 116.95 1ocr h HIS 26 Ca 0.25 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.60 1ocr h HIS 26 Cb 0.12 0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 1ocr h HIS 26 CO 0.01 -0.27 0.24 1.15 -0.00 0.00 0.00 177.93 179.06 1ocr h THR 27 N -0.57 1.14 -0.24 6.26 2.02 -1.24 -2.43 112.91 117.85 1ocr h THR 27 Ca -0.05 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1ocr h THR 27 Cb 0.43 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1ocr h THR 27 CO 0.09 0.15 0.10 0.25 0.37 0.00 0.00 175.52 176.47 1ocr h LEU 28 N 0.55 0.30 -0.35 2.58 5.85 -0.96 -0.40 115.31 122.88 1ocr h LEU 28 Ca 0.15 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1ocr h LEU 28 Cb 0.02 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1ocr h LEU 28 CO -0.03 0.28 0.22 -0.03 -0.34 0.00 0.00 178.44 178.54 1ocr h MET 29 N 0.34 0.47 -0.45 1.25 4.05 -0.81 -0.75 114.93 119.02 1ocr h MET 29 Ca 0.09 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.42 1ocr h MET 29 Cb 0.07 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 1ocr h MET 29 CO -0.01 0.34 0.09 0.82 0.23 0.00 0.00 176.91 178.38 1ocr h ILE 30 N 0.46 1.24 0.00 1.77 2.04 -0.89 -1.08 117.51 121.05 1ocr h ILE 30 Ca 0.13 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1ocr h ILE 30 Cb -0.01 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1ocr h ILE 30 CO -0.02 0.30 -0.10 -0.37 0.00 0.00 0.00 178.15 177.96 1ocr h VAL 31 N 0.60 0.39 -0.07 1.67 -1.51 -0.72 -0.91 116.25 115.70 1ocr h VAL 31 Ca 0.14 -0.55 -0.17 0.00 -1.23 0.00 0.00 66.70 64.89 1ocr h VAL 31 Cb 0.36 1.39 0.01 0.00 -2.13 0.00 0.00 31.29 30.92 1ocr h VAL 31 CO 0.01 0.10 -0.61 -0.26 -1.23 0.00 0.00 177.57 175.57 1ocr h PHE 32 N 0.00 0.76 0.43 5.19 0.04 -0.53 -1.79 116.94 121.04 1ocr h PHE 32 Ca -0.00 -0.36 -0.01 0.00 2.80 0.00 0.00 57.97 60.40 1ocr h PHE 32 Cb 0.38 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1ocr h PHE 32 CO 0.00 1.16 -0.45 1.25 -0.60 0.00 0.00 178.31 179.67 1ocr h LEU 33 N 0.14 -1.23 -0.13 1.54 6.46 -0.15 0.46 115.31 122.40 1ocr h LEU 33 Ca -0.06 0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1ocr h LEU 33 Cb 1.28 0.41 -0.01 0.00 -0.73 0.00 0.00 40.66 41.61 1ocr h LEU 33 CO 0.12 -0.60 0.07 0.40 -0.62 0.00 0.00 178.44 177.81 1ocr h ILE 34 N -0.90 1.01 0.00 4.05 1.08 -1.27 -0.25 117.51 121.23 1ocr h ILE 34 Ca -0.04 -0.05 -0.05 0.00 -0.39 0.00 0.00 64.86 64.33 1ocr h ILE 34 Cb 0.80 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 1ocr h ILE 34 CO -0.08 0.03 -0.24 0.77 -0.69 0.00 0.00 178.15 177.94 1ocr h SER 35 N 0.14 0.00 0.70 1.72 4.64 -1.15 -1.01 113.55 118.59 1ocr h SER 35 Ca 0.05 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.14 1ocr h SER 35 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1ocr h SER 35 CO -0.03 0.24 -1.04 0.77 -0.87 0.00 0.00 176.83 175.90 1ocr h SER 36 N 0.00 0.26 0.08 4.97 4.64 -0.48 -2.75 113.55 120.27 1ocr h SER 36 Ca -0.00 -0.25 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1ocr h SER 36 Cb 0.45 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1ocr h SER 36 CO 0.03 1.14 -0.04 0.25 -0.87 0.00 0.00 176.83 177.35 1ocr h LEU 37 N 0.07 -0.09 -1.41 5.97 5.85 -0.47 -0.80 115.31 124.43 1ocr h LEU 37 Ca -0.07 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.53 1ocr h LEU 37 Cb 1.74 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.76 1ocr h LEU 37 CO 0.16 0.10 0.44 0.58 -0.34 0.00 0.00 178.44 179.38 1ocr h VAL 38 N -0.28 1.07 0.03 1.05 2.07 -1.24 -0.17 116.25 118.78 1ocr h VAL 38 Ca -0.01 -0.26 -0.24 0.00 0.82 0.00 0.00 66.70 67.00 1ocr h VAL 38 Cb 0.24 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1ocr h VAL 38 CO 0.02 0.14 -1.02 0.25 0.02 0.00 0.00 177.57 176.98 1ocr h LEU 39 N 0.76 0.60 0.01 2.57 5.85 -1.31 -1.33 115.31 122.46 1ocr h LEU 39 Ca 0.27 -0.50 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1ocr h LEU 39 Cb 0.11 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1ocr h LEU 39 CO -0.08 1.31 -0.01 0.22 -0.34 0.00 0.00 178.44 179.55 1ocr h TYR 40 N 0.23 -0.02 -0.22 1.25 5.03 -0.49 -1.67 116.97 121.09 1ocr h TYR 40 Ca -0.10 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.25 1ocr h TYR 40 Cb 1.67 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 39.92 1ocr h TYR 40 CO 0.07 0.24 -0.06 0.82 -1.32 0.00 0.00 178.16 177.91 1ocr h ILE 41 N -0.27 0.77 -0.97 1.81 1.08 -1.05 0.12 117.51 118.99 1ocr h ILE 41 Ca -0.00 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.56 1ocr h ILE 41 Cb 0.26 0.77 -0.08 0.00 -3.07 0.00 0.00 36.82 34.71 1ocr h ILE 41 CO 0.00 0.00 0.61 0.40 -0.69 0.00 0.00 178.15 178.47 1ocr h ILE 42 N -0.01 0.99 -0.05 -0.67 2.04 -1.17 -0.75 117.51 117.89 1ocr h ILE 42 Ca 0.11 -0.35 -0.15 0.00 1.00 0.00 0.00 64.86 65.46 1ocr h ILE 42 Cb 0.17 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 1ocr h ILE 42 CO -0.23 0.19 -0.65 0.77 0.00 0.00 0.00 178.15 178.23 1ocr h SER 43 N 1.03 0.23 -0.31 1.72 4.64 -0.26 -3.02 113.55 117.59 1ocr h SER 43 Ca 0.45 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 1ocr h SER 43 Cb 0.33 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1ocr h SER 43 CO -0.22 0.82 0.15 0.25 -0.87 0.00 0.00 176.83 176.95 1ocr h LEU 44 N 0.15 0.41 -1.73 5.97 5.85 0.53 -3.00 115.31 123.48 1ocr h LEU 44 Ca -0.01 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1ocr h LEU 44 Cb 1.16 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 1ocr h LEU 44 CO 0.10 0.42 -0.10 0.24 -0.34 0.00 0.00 178.44 178.75 1ocr h MET 45 N 0.37 0.04 -0.50 1.25 2.86 -1.15 -2.86 114.93 114.94 1ocr h MET 45 Ca 0.11 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1ocr h MET 45 Cb 0.12 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1ocr h MET 45 CO -0.01 0.15 0.00 1.28 1.06 0.00 0.00 176.91 179.38 1ocr n LEU 46 N -4.39 3.33 -0.92 1.22 4.77 -1.15 -4.49 117.00 115.36 1ocr n LEU 46 Ca -0.02 -1.54 0.02 0.00 -0.03 0.00 0.00 56.01 54.43 1ocr n LEU 46 Cb 0.19 -0.33 0.21 0.00 -2.33 0.00 0.00 43.42 41.17 1ocr n LEU 46 CO 0.36 0.77 0.67 0.35 -1.33 0.00 0.00 177.39 178.21 1ocr n THR 47 N 1.36 2.38 -4.02 -5.08 -2.24 -1.08 -5.03 114.28 100.57 1ocr n THR 47 Ca 0.20 -2.44 -0.11 0.00 -2.27 0.00 0.00 64.05 59.44 1ocr n THR 47 Cb 0.56 -0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 68.39 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 -3.07 0.30 -0.57 4.28 -1.32 -1.26 -5.01 115.64 108.98 1ocr s THR 48 Ca 0.42 -0.97 0.24 0.00 -1.21 0.00 0.00 61.69 60.17 1ocr s THR 48 Cb 0.37 -0.41 0.03 0.00 -1.51 0.00 0.00 72.50 70.98 1ocr s THR 48 CO 0.03 -0.44 1.25 0.11 -2.21 0.00 0.00 174.62 173.36 1ocr h LYS 49 N 4.60 0.00 -6.99 7.08 1.79 -1.97 -3.46 116.57 117.62 1ocr h LYS 49 Ca -0.34 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.59 1ocr h LYS 49 Cb 1.21 0.00 0.12 0.00 -1.58 0.00 0.00 32.23 31.98 1ocr h LYS 49 CO 0.41 0.00 0.71 -0.51 -1.08 0.00 0.00 179.45 178.98 1ocr s LEU 50 N -4.39 4.11 0.20 2.94 1.43 -1.26 -4.99 118.68 116.71 1ocr s LEU 50 Ca 0.05 2.93 0.04 0.00 -1.03 0.00 0.00 54.13 56.12 1ocr s LEU 50 Cb 0.13 -3.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 1ocr s LEU 50 CO 0.74 -1.20 -0.04 0.42 0.23 0.00 0.00 176.35 176.50 1ocr s THR 51 N -1.20 1.06 -0.43 5.49 -4.23 -1.26 -5.07 115.64 110.01 1ocr s THR 51 Ca 0.61 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1ocr s THR 51 Cb -0.44 -2.14 0.22 0.00 1.34 0.00 0.00 72.50 71.48 1ocr s THR 51 CO 0.57 -0.49 0.97 1.57 -0.54 0.00 0.00 174.62 176.69 1ocr n HIS 52 N -0.32 -2.21 1.23 3.99 -0.00 -1.26 -5.02 115.22 111.63 1ocr n HIS 52 Ca -0.07 -1.11 0.13 0.00 -0.00 0.00 0.00 57.72 56.67 1ocr n HIS 52 Cb 0.63 1.32 0.48 0.00 -0.00 0.00 0.00 29.99 32.41 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 2.30 0.00 -1.63 3.57 -2.24 -1.26 -4.90 114.28 110.12 1ocr n THR 53 Ca 0.11 -0.06 -0.30 0.00 -2.27 0.00 0.00 64.05 61.54 1ocr n THR 53 Cb 0.63 0.06 0.19 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.65 2.51 0.45 3.42 1.04 -1.26 -5.01 113.70 112.20 1ocr s SER 54 Ca 0.22 0.46 -0.23 0.00 0.48 0.00 0.00 55.95 56.88 1ocr s SER 54 Cb 0.19 -0.63 -0.08 0.00 0.10 0.00 0.00 66.02 65.61 1ocr s SER 54 CO 0.54 -3.12 1.15 0.42 0.98 0.00 0.00 173.24 173.20 1ocr s THR 55 N -3.55 3.21 0.08 2.02 -4.23 -1.26 -5.07 115.64 106.83 1ocr s THR 55 Ca 0.72 0.91 0.09 0.00 -1.18 0.00 0.00 61.69 62.22 1ocr s THR 55 Cb -0.07 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.28 1ocr s THR 55 CO 0.54 -0.01 -0.21 -0.04 -0.54 0.00 0.00 174.62 174.35 1ocr s MET 56 N -2.68 1.83 -0.07 3.99 1.00 -1.26 -5.10 119.30 117.02 1ocr s MET 56 Ca 0.63 -1.12 -0.30 0.00 0.00 0.00 0.00 55.69 54.90 1ocr s MET 56 Cb -0.27 -2.08 -0.04 0.00 0.00 0.00 0.00 34.83 32.44 1ocr s MET 56 CO 0.33 0.50 1.29 0.34 0.00 0.00 0.00 175.02 177.49 1ocr s ASP 57 N -1.68 6.95 0.00 3.03 2.15 -1.26 -4.97 116.67 120.90 1ocr s ASP 57 Ca 0.15 1.89 0.00 0.00 0.43 0.00 0.00 52.55 55.02 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 0.06 -0.68 0.87 0.00 -0.17 0.00 0.00 175.17 175.25 1ocr n ALA 58 N 5.66 -0.32 -0.33 3.66 0.00 -1.26 -4.40 120.51 123.53 1ocr n ALA 58 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.51 1ocr n ALA 58 Cb 0.45 0.06 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.43 0.00 1.08 -2.01 -3.35 115.11 110.34 1ocr h GLN 59 Ca 0.00 0.01 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 27.39 1ocr h GLN 59 CO 0.00 -0.05 -0.20 -0.85 -0.95 0.00 0.00 178.83 176.78 1ocr n GLU 60 N -5.40 -0.14 0.12 1.46 -0.00 -1.26 -0.85 120.64 114.57 1ocr n GLU 60 Ca 0.05 0.65 0.12 0.00 -0.00 0.00 0.00 57.16 57.98 1ocr n GLU 60 Cb 0.35 -0.96 0.10 0.00 -0.00 0.00 0.00 31.44 30.92 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 -0.25 3.84 -1.51 -1.86 -3.35 116.25 113.12 1ocr h VAL 61 Ca 0.11 -0.84 0.07 0.00 -1.23 0.00 0.00 66.70 64.81 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 -0.41 0.00 0.26 -0.33 -1.23 0.00 0.00 177.57 175.86 1ocr h GLU 62 N 0.00 0.00 -0.08 5.19 4.39 -1.15 -1.23 114.58 121.70 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 0.92 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.59 1ocr h GLU 62 CO 0.00 0.00 -0.85 1.79 -1.16 0.00 0.00 179.01 178.79 1ocr h THR 63 N 0.00 1.29 -0.15 1.13 1.35 -1.69 -2.95 112.91 111.90 1ocr h THR 63 Ca 0.12 -2.07 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 1ocr h THR 63 Cb 0.64 2.19 -0.01 0.00 -1.73 0.00 0.00 68.15 69.24 1ocr h THR 63 CO -0.00 0.64 0.09 0.40 -0.25 0.00 0.00 175.52 176.41 1ocr h ILE 64 N 0.41 1.03 0.00 6.82 2.04 -1.48 0.26 117.51 126.59 1ocr h ILE 64 Ca -0.08 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1ocr h ILE 64 Cb 1.49 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1ocr h ILE 64 CO 0.17 0.03 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 -0.95 -1.50 117.44 113.51 1ocr n TRP 65 Ca -0.04 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.53 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 -0.04 0.00 -0.13 -1.67 -1.04 -0.81 -4.68 114.28 105.91 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 0.16 -1.24 -0.02 0.00 -1.82 0.00 0.00 70.33 67.41 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 1.28 0.60 12.58 1.08 -0.88 -2.77 117.51 129.40 1ocr h ILE 67 Ca 0.00 -1.21 -0.03 0.00 -0.39 0.00 0.00 64.86 63.24 1ocr h ILE 67 Cb 0.85 1.26 -0.00 0.00 -3.07 0.00 0.00 36.82 35.85 1ocr h ILE 67 CO 0.00 0.40 -0.33 0.25 -0.69 0.00 0.00 178.15 177.78 1ocr h LEU 68 N 0.56 -0.82 -2.01 1.44 5.85 -1.48 -1.94 115.31 116.91 1ocr h LEU 68 Ca 0.10 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.94 1ocr h LEU 68 Cb 0.64 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1ocr h LEU 68 CO 0.04 -0.54 0.20 -0.65 -0.34 0.00 0.00 178.44 177.15 1ocr h PRO 69 N -0.87 0.00 -0.49 5.25 0.11 -1.79 -0.23 132.00 133.99 1ocr h PRO 69 Ca -0.08 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.95 1ocr h PRO 69 Cb 0.69 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 1ocr h PRO 69 CO 0.10 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 177.86 1ocr h ALA 70 N 1.86 1.03 -0.06 -0.75 0.00 -1.12 -1.35 119.26 118.88 1ocr h ALA 70 Ca 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1ocr h ALA 70 Cb 0.53 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ocr h ALA 70 CO -0.00 0.60 -0.06 0.82 0.00 0.00 0.00 179.25 180.60 1ocr h ILE 71 N 0.77 1.37 -0.99 0.00 2.04 -0.34 -2.77 117.51 117.59 1ocr h ILE 71 Ca 0.14 -1.22 0.08 0.00 1.00 0.00 0.00 64.86 64.87 1ocr h ILE 71 Cb 0.50 2.06 -0.07 0.00 -0.74 0.00 0.00 36.82 38.57 1ocr h ILE 71 CO 0.03 0.33 0.64 0.40 0.00 0.00 0.00 178.15 179.55 1ocr h ILE 72 N -0.30 1.03 -0.59 -0.67 2.04 -1.11 -1.31 117.51 116.61 1ocr h ILE 72 Ca 0.01 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 1ocr h ILE 72 Cb 0.57 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 1ocr h ILE 72 CO 0.02 0.20 0.12 -0.07 0.00 0.00 0.00 178.15 178.41 1ocr h LEU 73 N 1.10 0.87 -1.39 1.44 3.38 -1.22 -1.60 115.31 117.90 1ocr h LEU 73 Ca 0.45 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 1ocr h LEU 73 Cb 0.28 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1ocr h LEU 73 CO -0.20 0.86 -0.14 0.40 0.09 0.00 0.00 178.44 179.45 1ocr h ILE 74 N 0.88 1.18 0.00 1.22 2.04 -0.97 0.38 117.51 122.25 1ocr h ILE 74 Ca 0.19 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1ocr h ILE 74 Cb 0.35 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1ocr h ILE 74 CO 0.00 0.25 -0.09 -0.07 0.00 0.00 0.00 178.15 178.25 1ocr h LEU 75 N 0.22 0.00 0.08 1.44 3.38 -0.62 -2.14 115.31 117.67 1ocr h LEU 75 Ca 0.04 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.66 1ocr h LEU 75 Cb 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1ocr h LEU 75 CO 0.02 0.09 -2.03 -0.38 0.09 0.00 0.00 178.44 176.23 1ocr n ILE 76 N -3.23 1.68 -0.12 1.22 5.41 -0.83 -4.53 119.36 118.95 1ocr n ILE 76 Ca 0.00 -0.54 -0.09 0.00 1.00 0.00 0.00 62.75 63.13 1ocr n ILE 76 Cb 0.35 -1.72 -0.01 0.00 -0.71 0.00 0.00 39.64 37.55 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 -0.08 0.48 -0.03 -1.39 0.00 -0.81 -2.49 119.26 114.94 1ocr h ALA 77 Ca -0.46 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.36 1ocr h ALA 77 Cb 1.88 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 1ocr h ALA 77 CO -0.02 0.04 -0.53 -0.07 0.00 0.00 0.00 179.25 178.68 1ocr h LEU 78 N 0.46 -1.63 -0.47 0.00 3.38 -1.63 0.16 115.31 115.58 1ocr h LEU 78 Ca 0.13 0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.33 1ocr h LEU 78 Cb 0.13 0.62 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1ocr h LEU 78 CO -0.02 -0.50 0.22 -0.65 0.09 0.00 0.00 178.44 177.58 1ocr h PRO 79 N -0.64 0.42 -0.54 1.13 0.11 -1.79 -0.76 132.00 129.93 1ocr h PRO 79 Ca 0.02 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.20 1ocr h PRO 79 Cb 0.69 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 31.63 1ocr h PRO 79 CO -0.37 0.28 0.09 1.03 -0.21 0.00 0.00 178.00 178.82 1ocr h SER 80 N 0.43 -0.05 -0.01 -2.05 0.87 -0.85 -0.35 113.55 111.55 1ocr h SER 80 Ca 0.21 0.11 -0.16 0.00 -1.23 0.00 0.00 61.79 60.72 1ocr h SER 80 Cb 0.14 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1ocr h SER 80 CO -0.16 -0.00 -0.52 -0.07 -0.53 0.00 0.00 176.83 175.54 1ocr h LEU 81 N 0.22 0.64 -0.09 2.23 3.38 -0.24 -0.99 115.31 120.46 1ocr h LEU 81 Ca 0.28 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1ocr h LEU 81 Cb 0.40 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1ocr h LEU 81 CO -0.38 1.04 -0.16 -0.09 0.09 0.00 0.00 178.44 178.95 1ocr h ARG 82 N 0.45 -0.21 -0.58 1.13 2.43 0.39 -0.03 114.38 117.97 1ocr h ARG 82 Ca 0.01 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1ocr h ARG 82 Cb 1.07 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 1ocr h ARG 82 CO 0.10 -0.14 0.09 0.82 -1.51 0.00 0.00 179.97 179.33 1ocr h ILE 83 N -0.21 1.25 -0.99 1.20 2.04 -1.23 -1.65 117.51 117.91 1ocr h ILE 83 Ca 0.08 -0.95 0.06 0.00 1.00 0.00 0.00 64.86 65.05 1ocr h ILE 83 Cb 0.33 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 1ocr h ILE 83 CO -0.21 0.35 0.64 0.25 0.00 0.00 0.00 178.15 179.17 1ocr h LEU 84 N 0.87 1.02 -0.45 1.44 5.85 -0.07 -1.62 115.31 122.36 1ocr h LEU 84 Ca 0.18 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.76 1ocr h LEU 84 Cb 0.39 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1ocr h LEU 84 CO 0.01 0.66 -0.70 1.88 -0.34 0.00 0.00 178.44 179.94 1ocr h TYR 85 N 1.16 0.00 -0.62 1.25 -1.99 -0.36 -3.16 116.97 113.25 1ocr h TYR 85 Ca 0.42 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 61.07 1ocr h TYR 85 Cb 0.15 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 1ocr h TYR 85 CO -0.01 0.70 0.05 0.52 -0.00 0.00 0.00 178.16 179.43 1ocr h MET 86 N 0.00 1.06 0.00 4.88 2.86 -0.43 -2.85 114.93 120.45 1ocr h MET 86 Ca -0.01 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1ocr h MET 86 Cb 1.33 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 1ocr h MET 86 CO 0.09 1.01 -0.00 0.52 1.06 0.00 0.00 176.91 179.59 1ocr h MET 87 N 0.97 0.00 0.00 1.72 2.86 -1.30 -2.90 114.93 116.28 1ocr h MET 87 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1ocr h MET 87 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1ocr h MET 87 CO 0.02 0.00 -1.04 -3.47 1.06 0.00 0.00 176.91 173.49 1ocr n ASP 88 N -3.13 0.62 -4.56 1.22 2.03 -1.08 -4.68 116.55 106.97 1ocr n ASP 88 Ca -0.02 -0.28 -0.39 0.00 0.52 0.00 0.00 54.79 54.62 1ocr n ASP 88 Cb 0.14 0.84 -0.03 0.00 -0.72 0.00 0.00 41.12 41.34 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 -3.18 3.43 0.01 -0.67 -1.05 -1.10 -4.76 118.70 111.38 1ocr s GLU 89 Ca 0.04 -0.97 -0.23 0.00 -0.15 0.00 0.00 54.97 53.65 1ocr s GLU 89 Cb 0.15 -5.29 -0.13 0.00 -0.44 0.00 0.00 34.13 28.42 1ocr s GLU 89 CO 0.81 -2.38 1.02 0.97 0.95 0.00 0.00 175.26 176.63 1ocr h ILE 90 N 6.85 0.00 -4.18 1.83 2.10 -1.86 -3.50 117.51 118.75 1ocr h ILE 90 Ca 0.17 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.83 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 1.39 0.00 -0.10 0.59 -1.08 0.00 0.00 178.15 178.95 1ocr n ASN 91 N -5.04 -1.30 -3.09 2.19 3.02 -1.26 -4.67 115.26 105.11 1ocr n ASN 91 Ca -0.10 1.08 -0.32 0.00 -0.03 0.00 0.00 54.58 55.21 1ocr n ASN 91 Cb 0.33 -1.88 0.03 0.00 -0.61 0.00 0.00 39.78 37.65 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 2.01 -4.59 -4.90 6.41 6.94 -1.26 -5.01 115.26 114.87 1ocr n ASN 92 Ca -0.00 -0.13 -0.28 0.00 -0.02 0.00 0.00 54.58 54.15 1ocr n ASN 92 Cb 0.00 -1.33 0.00 0.00 -2.36 0.00 0.00 39.78 36.10 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 -2.00 3.53 0.00 -0.53 0.04 -1.26 -4.91 135.00 129.86 1ocr s PRO 93 Ca 0.31 0.32 0.19 0.00 0.04 0.00 0.00 61.00 61.86 1ocr s PRO 93 Cb -0.03 -2.30 0.27 0.00 0.04 0.00 0.00 34.50 32.47 1ocr s PRO 93 CO 0.71 -0.31 1.21 -1.13 0.04 0.00 0.00 177.00 177.52 1ocr n SER 94 N -2.39 2.90 -3.55 6.66 3.41 -0.55 -4.97 113.62 115.14 1ocr n SER 94 Ca 0.02 -1.86 -0.16 0.00 -0.26 0.00 0.00 58.87 56.61 1ocr n SER 94 Cb 0.55 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 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 -1.40 -0.66 -0.09 1.04 2.96 -1.25 -5.06 118.68 114.22 1ocr s LEU 95 Ca 0.28 0.87 0.02 0.00 -0.22 0.00 0.00 54.13 55.08 1ocr s LEU 95 Cb 0.17 2.47 0.01 0.00 0.50 0.00 0.00 46.19 49.35 1ocr s LEU 95 CO 0.25 -0.50 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.73 1ocr s THR 96 N -0.80 1.44 0.01 3.68 2.01 -1.26 -0.88 115.64 119.84 1ocr s THR 96 Ca -0.08 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.34 1ocr s THR 96 Cb -0.01 -1.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 1ocr s THR 96 CO 0.07 0.43 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.56 1ocr s VAL 97 N 0.70 1.41 0.07 3.82 1.01 0.17 -4.35 120.40 123.24 1ocr s VAL 97 Ca -0.13 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.02 1ocr s VAL 97 Cb -0.16 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1ocr s VAL 97 CO 0.03 0.28 -0.13 -0.54 0.00 0.00 0.00 175.10 174.75 1ocr s LYS 98 N -0.72 2.12 -0.01 2.72 1.02 -0.61 -1.23 119.74 123.03 1ocr s LYS 98 Ca 0.06 -0.99 0.02 0.00 0.02 0.00 0.00 55.97 55.08 1ocr s LYS 98 Cb -0.07 -2.27 -0.00 0.00 -0.52 0.00 0.00 37.83 34.96 1ocr s LYS 98 CO 0.00 0.53 -0.06 -0.08 -0.92 0.00 0.00 175.35 174.82 1ocr s THR 99 N -1.09 0.51 -0.10 2.17 -1.32 -0.42 -0.84 115.64 114.55 1ocr s THR 99 Ca 0.18 -0.26 0.01 0.00 -1.21 0.00 0.00 61.69 60.41 1ocr s THR 99 Cb -0.11 -0.44 0.02 0.00 -1.51 0.00 0.00 72.50 70.46 1ocr s THR 99 CO 0.10 0.15 -0.12 -0.04 -2.21 0.00 0.00 174.62 172.50 1ocr s MET 100 N -0.08 1.89 0.44 7.08 -1.94 -0.11 -2.41 119.30 124.16 1ocr s MET 100 Ca 0.02 -0.43 -0.21 0.00 -1.71 0.00 0.00 55.69 53.35 1ocr s MET 100 Cb -0.03 -1.70 -0.11 0.00 2.01 0.00 0.00 34.83 35.00 1ocr s MET 100 CO -0.00 -0.12 0.96 0.20 -0.01 0.00 0.00 175.02 176.05 1ocr s GLY 101 N 1.17 2.41 0.11 -0.03 0.00 -0.41 -1.59 107.32 108.98 1ocr s GLY 101 Ca -0.04 0.43 -0.06 0.00 0.00 0.00 0.00 44.72 45.05 1ocr s GLY 101 CO -0.03 0.72 0.15 0.30 0.00 0.00 0.00 173.10 174.24 1ocr s HIS 102 N -2.15 0.43 -0.92 1.90 3.76 -0.51 -1.48 115.29 116.33 1ocr s HIS 102 Ca 0.63 -0.85 -0.25 0.00 -0.15 0.00 0.00 55.06 54.44 1ocr s HIS 102 Cb -0.10 -0.20 -0.07 0.00 1.11 0.00 0.00 32.58 33.32 1ocr s HIS 102 CO 0.14 -0.56 2.01 -0.65 -0.85 0.00 0.00 174.74 174.83 1ocr s GLN 103 N -3.94 2.40 0.00 1.40 -0.21 -1.26 -2.01 119.66 116.04 1ocr s GLN 103 Ca 0.13 -0.27 0.00 0.00 0.02 0.00 0.00 55.36 55.24 1ocr s GLN 103 Cb 0.05 -5.04 0.00 0.00 1.00 0.00 0.00 33.01 29.02 1ocr s GLN 103 CO -0.05 -3.61 0.00 0.91 -2.12 0.00 0.00 175.29 170.42 1ocr n TRP 104 N 14.74 0.00 -3.62 0.91 8.01 -1.26 -5.08 117.44 131.14 1ocr n TRP 104 Ca 0.41 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.59 1ocr n TRP 104 Cb 0.46 -0.21 -0.02 0.00 -2.01 0.00 0.00 31.31 29.54 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 -2.04 -0.03 0.04 -5.99 1.13 -0.85 -4.75 117.35 104.85 1ocr s TYR 105 Ca 0.00 0.02 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 -0.07 -0.08 -1.58 -2.51 0.00 0.00 175.55 171.31 1ocr s TRP 106 N -2.13 2.83 0.02 -3.49 0.52 -1.15 -1.42 118.94 114.12 1ocr s TRP 106 Ca 0.12 -0.09 0.08 0.00 0.02 0.00 0.00 56.10 56.23 1ocr s TRP 106 Cb 0.01 -1.54 -0.02 0.00 -1.15 0.00 0.00 33.47 30.76 1ocr s TRP 106 CO -0.03 0.38 -0.22 -1.54 0.02 0.00 0.00 176.95 175.56 1ocr s SER 107 N -1.70 2.65 0.13 2.95 1.04 -0.62 -0.09 113.70 118.05 1ocr s SER 107 Ca 0.19 -0.49 0.09 0.00 0.48 0.00 0.00 55.95 56.21 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 -0.70 2.56 -0.11 5.02 1.51 0.47 -0.93 117.35 125.17 1ocr s TYR 108 Ca 0.09 -0.25 -0.02 0.00 -1.01 0.00 0.00 57.07 55.87 1ocr s TYR 108 Cb -0.09 -1.34 0.04 0.00 -0.11 0.00 0.00 41.96 40.46 1ocr s TYR 108 CO 0.01 0.41 0.03 -1.21 -1.11 0.00 0.00 175.55 173.68 1ocr s GLU 109 N -2.25 0.42 -0.29 -0.62 2.02 -0.02 -1.73 118.70 116.23 1ocr s GLU 109 Ca 0.19 0.01 -0.06 0.00 0.02 0.00 0.00 54.97 55.13 1ocr s GLU 109 Cb -0.10 -1.28 0.01 0.00 0.10 0.00 0.00 34.13 32.86 1ocr s GLU 109 CO 0.11 -0.44 0.06 0.71 0.02 0.00 0.00 175.26 175.72 1ocr s TYR 110 N 2.00 3.15 -0.06 1.61 1.51 0.22 -1.58 117.35 124.20 1ocr s TYR 110 Ca 0.03 -1.11 0.11 0.00 -1.01 0.00 0.00 57.07 55.09 1ocr s TYR 110 Cb -0.14 -2.23 0.20 0.00 -0.11 0.00 0.00 41.96 39.68 1ocr s TYR 110 CO -0.06 -0.62 1.09 0.25 -1.11 0.00 0.00 175.55 175.11 1ocr n THR 111 N 4.83 0.85 -0.27 -0.71 -2.24 -1.26 -2.30 114.28 113.19 1ocr n THR 111 Ca -0.15 -1.22 -0.01 0.00 -2.27 0.00 0.00 64.05 60.41 1ocr n THR 111 Cb 0.47 0.24 0.18 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 0.23 0.97 0.00 3.42 3.32 -1.93 -3.39 116.42 119.04 1ocr h ASP 112 Ca -0.03 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1ocr h ASP 112 Cb 1.29 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1ocr h ASP 112 CO 0.01 0.74 -0.62 -1.22 -1.72 0.00 0.00 179.24 176.43 1ocr n TYR 113 N -4.38 -0.11 -2.68 4.55 4.01 -1.26 -5.11 117.16 112.18 1ocr n TYR 113 Ca 0.09 0.02 -0.07 0.00 -0.16 0.00 0.00 57.90 57.78 1ocr n TYR 113 Cb 0.05 0.14 0.03 0.00 -0.31 0.00 0.00 39.34 39.25 1ocr n TYR 113 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1ocr n GLU 114 N -2.96 0.63 -2.85 -0.72 -0.58 -1.26 -5.04 120.64 107.87 1ocr n GLU 114 Ca 0.00 -0.91 -0.26 0.00 -0.42 0.00 0.00 57.16 55.56 1ocr n GLU 114 Cb 0.31 -0.14 -0.03 0.00 -0.57 0.00 0.00 31.44 31.01 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 -2.88 4.36 -4.67 1.62 9.92 -1.26 -4.20 116.55 119.44 1ocr n ASP 115 Ca 0.05 -3.66 -0.43 0.00 -0.53 0.00 0.00 54.79 50.23 1ocr n ASP 115 Cb 0.19 -0.54 -0.02 0.00 -0.64 0.00 0.00 41.12 40.10 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 4.14 -0.06 0.64 2.96 -0.97 -5.00 118.68 116.94 1ocr s LEU 116 Ca 0.48 1.41 -0.06 0.00 -0.22 0.00 0.00 54.13 55.75 1ocr s LEU 116 Cb 0.31 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.48 1ocr s LEU 116 CO -0.15 -0.61 0.17 -0.55 -1.32 0.00 0.00 176.35 173.89 1ocr s SER 117 N 1.18 -0.17 0.01 3.68 0.15 -1.26 -0.61 113.70 116.67 1ocr s SER 117 Ca 0.45 0.34 -0.27 0.00 0.70 0.00 0.00 55.95 57.17 1ocr s SER 117 Cb -0.16 0.34 0.06 0.00 -1.71 0.00 0.00 66.02 64.56 1ocr s SER 117 CO 0.09 -0.06 0.60 0.72 1.20 0.00 0.00 173.24 175.79 1ocr s PHE 118 N 0.10 -0.55 0.33 3.44 -0.71 -0.70 -4.99 117.98 114.89 1ocr s PHE 118 Ca -0.00 0.80 -0.07 0.00 -1.04 0.00 0.00 56.93 56.62 1ocr s PHE 118 Cb -0.01 0.39 -0.06 0.00 -1.21 0.00 0.00 43.02 42.14 1ocr s PHE 118 CO 0.00 -0.64 0.62 -0.51 -1.34 0.00 0.00 175.22 173.36 1ocr s ASP 119 N -1.61 6.46 -0.26 1.98 1.01 -1.26 -0.39 116.67 122.60 1ocr s ASP 119 Ca -0.08 0.84 -0.02 0.00 0.71 0.00 0.00 52.55 54.00 1ocr s ASP 119 Cb -0.01 -2.20 0.08 0.00 1.01 0.00 0.00 42.92 41.81 1ocr s ASP 119 CO 0.03 -0.26 0.08 -0.55 0.21 0.00 0.00 175.17 174.68 1ocr s SER 120 N -3.18 3.50 0.20 0.27 0.15 0.87 -4.63 113.70 110.88 1ocr s SER 120 Ca 0.46 -1.26 0.06 0.00 0.70 0.00 0.00 55.95 55.92 1ocr s SER 120 Cb -0.11 -0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 63.51 1ocr s SER 120 CO 0.31 -0.38 0.11 -0.31 1.20 0.00 0.00 173.24 174.17 1ocr s TYR 121 N 1.81 3.05 0.41 3.44 1.51 -1.26 -2.96 117.35 123.35 1ocr s TYR 121 Ca 0.06 -0.08 -0.24 0.00 -1.01 0.00 0.00 57.07 55.80 1ocr s TYR 121 Cb -0.17 -1.43 -0.08 0.00 -0.11 0.00 0.00 41.96 40.16 1ocr s TYR 121 CO -0.21 0.53 1.10 1.41 -1.11 0.00 0.00 175.55 177.27 1ocr s MET 122 N -3.30 4.06 -0.29 -0.62 -2.45 -1.26 -0.30 119.30 115.14 1ocr s MET 122 Ca 0.31 1.64 -0.22 0.00 -1.25 0.00 0.00 55.69 56.17 1ocr s MET 122 Cb -0.09 -2.55 -0.01 0.00 1.25 0.00 0.00 34.83 33.44 1ocr s MET 122 CO 0.23 -0.26 0.69 0.42 1.05 0.00 0.00 175.02 177.14 1ocr s ILE 123 N -1.58 4.90 0.38 10.11 1.01 0.22 -4.75 121.20 131.49 1ocr s ILE 123 Ca 0.59 1.08 -0.25 0.00 0.00 0.00 0.00 60.65 62.07 1ocr s ILE 123 Cb -0.25 -4.03 -0.12 0.00 0.01 0.00 0.00 42.46 38.07 1ocr s ILE 123 CO 0.31 -0.12 0.93 -2.65 0.00 0.00 0.00 174.94 173.41 1ocr n PRO 124 N 5.94 1.20 0.31 2.79 -0.02 -1.26 -4.75 135.00 139.21 1ocr n PRO 124 Ca 0.01 0.43 0.19 0.00 -2.02 0.00 0.00 63.50 62.11 1ocr n PRO 124 Cb 0.49 -1.89 0.99 0.00 -0.02 0.00 0.00 33.50 33.07 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 1.53 0.17 -0.00 3.45 1.35 -1.95 -0.64 112.91 116.81 1ocr h THR 125 Ca -0.42 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1ocr h THR 125 Cb 1.35 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1ocr h THR 125 CO 0.57 0.02 -0.08 -1.54 -0.25 0.00 0.00 175.52 174.24 1ocr n SER 126 N -3.28 0.14 -0.57 5.36 3.41 -1.26 -3.22 113.62 114.20 1ocr n SER 126 Ca -0.02 0.06 0.08 0.00 -0.26 0.00 0.00 58.87 58.72 1ocr n SER 126 Cb 0.15 -0.28 0.19 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.35 2.48 -2.75 4.33 1.02 -0.26 -5.00 120.64 119.12 1ocr n GLU 127 Ca 0.10 -2.56 -0.41 0.00 -0.02 0.00 0.00 57.16 54.27 1ocr n GLU 127 Cb 0.30 -1.61 -0.04 0.00 -0.02 0.00 0.00 31.44 30.08 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 -2.44 4.43 0.24 -4.62 1.43 -1.17 -4.88 118.68 111.67 1ocr s LEU 128 Ca 0.33 1.68 -0.21 0.00 -1.03 0.00 0.00 54.13 54.91 1ocr s LEU 128 Cb 0.27 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.87 1ocr s LEU 128 CO 0.08 -0.16 0.76 -0.54 0.23 0.00 0.00 176.35 176.72 1ocr s LYS 129 N 0.52 4.30 0.16 1.70 1.02 -1.26 -4.96 119.74 121.22 1ocr s LYS 129 Ca 0.48 0.94 -0.33 0.00 0.02 0.00 0.00 55.97 57.09 1ocr s LYS 129 Cb -0.22 -2.86 -0.17 0.00 -0.52 0.00 0.00 37.83 34.07 1ocr s LYS 129 CO 0.28 0.37 0.99 -2.30 -0.92 0.00 0.00 175.35 173.78 1ocr n PRO 130 N 0.68 0.72 -0.06 -1.68 -0.02 -1.26 -1.40 135.00 131.97 1ocr n PRO 130 Ca -0.01 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1ocr n PRO 130 Cb 0.51 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 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 1.85 0.87 3.82 -1.23 0.00 -1.26 -5.05 105.19 104.19 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 -0.69 4.22 -0.23 1.61 2.02 -0.49 -5.03 118.70 120.11 1ocr s GLU 132 Ca 0.00 0.81 -0.29 0.00 0.02 0.00 0.00 54.97 55.51 1ocr s GLU 132 Cb 0.00 -2.93 0.00 0.00 0.10 0.00 0.00 34.13 31.30 1ocr s GLU 132 CO 0.00 0.43 1.14 -0.51 0.02 0.00 0.00 175.26 176.35 1ocr s LEU 133 N -1.87 4.08 0.05 1.80 1.43 -1.26 -4.92 118.68 117.99 1ocr s LEU 133 Ca 0.41 1.43 -0.10 0.00 -1.03 0.00 0.00 54.13 54.84 1ocr s LEU 133 Cb -0.17 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 1ocr s LEU 133 CO 0.21 -0.77 0.79 -1.14 0.23 0.00 0.00 176.35 175.67 1ocr n ARG 134 N 6.58 -0.14 -0.42 1.70 0.63 -1.26 -1.90 116.66 121.86 1ocr n ARG 134 Ca 0.13 0.78 0.08 0.00 -0.92 0.00 0.00 57.85 57.92 1ocr n ARG 134 Cb 0.46 -1.16 0.24 0.00 0.45 0.00 0.00 32.46 32.45 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 -3.70 3.68 -0.00 6.15 4.77 -1.26 -4.49 117.00 122.15 1ocr n LEU 135 Ca 0.01 -3.10 0.05 0.00 -0.03 0.00 0.00 56.01 52.94 1ocr n LEU 135 Cb 0.08 -0.54 -0.07 0.00 -2.33 0.00 0.00 43.42 40.56 1ocr n LEU 135 CO -0.05 0.73 -0.52 0.18 -1.33 0.00 0.00 177.39 176.40 1ocr n LEU 136 N -0.71 0.07 -4.74 2.23 4.77 -0.80 -4.63 117.00 113.19 1ocr n LEU 136 Ca 0.22 -0.08 -0.40 0.00 -0.03 0.00 0.00 56.01 55.71 1ocr n LEU 136 Cb 0.87 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.91 1ocr n LEU 136 CO 0.13 0.02 0.67 -1.61 -1.33 0.00 0.00 177.39 175.27 1ocr s GLU 137 N -2.56 4.78 0.03 3.23 0.41 -1.06 -4.68 118.70 118.85 1ocr s GLU 137 Ca -0.02 1.50 0.06 0.00 -0.41 0.00 0.00 54.97 56.10 1ocr s GLU 137 Cb 0.06 -3.31 -0.03 0.00 -1.78 0.00 0.00 34.13 29.07 1ocr s GLU 137 CO 0.41 0.38 -0.17 0.54 -0.49 0.00 0.00 175.26 175.93 1ocr s VAL 138 N -0.72 2.87 0.11 2.63 0.11 -1.26 0.69 120.40 124.84 1ocr s VAL 138 Ca 0.44 -1.10 -0.16 0.00 -2.93 0.00 0.00 61.98 58.22 1ocr s VAL 138 Cb -0.25 -2.20 -0.04 0.00 -1.53 0.00 0.00 36.38 32.36 1ocr s VAL 138 CO 0.32 0.37 1.59 -2.24 -3.33 0.00 0.00 175.10 171.81 1ocr h ASP 139 N 4.63 0.56 -3.68 3.54 3.04 -0.95 -3.41 116.42 120.15 1ocr h ASP 139 Ca -0.47 -0.27 -0.68 0.00 -3.24 0.00 0.00 57.03 52.37 1ocr h ASP 139 Cb 1.15 -0.15 -0.36 0.00 -1.04 0.00 0.00 39.33 38.94 1ocr h ASP 139 CO 0.48 0.68 -0.68 0.20 -2.04 0.00 0.00 179.24 177.89 1ocr s ASN 140 N -6.01 4.90 0.85 4.15 0.01 -1.26 -5.04 114.94 112.55 1ocr s ASN 140 Ca -0.13 -1.75 -0.11 0.00 -0.71 0.00 0.00 52.86 50.16 1ocr s ASN 140 Cb 0.09 -1.70 0.10 0.00 0.41 0.00 0.00 41.25 40.15 1ocr s ASN 140 CO 0.76 -0.36 1.09 -0.13 -1.51 0.00 0.00 177.10 176.95 1ocr s ARG 141 N 1.10 1.66 -0.45 -0.60 0.52 -1.26 -4.66 118.95 115.26 1ocr s ARG 141 Ca 0.02 0.81 -0.16 0.00 -0.52 0.00 0.00 55.73 55.89 1ocr s ARG 141 Cb -0.20 -1.86 0.05 0.00 0.52 0.00 0.00 34.95 33.46 1ocr s ARG 141 CO -0.04 -1.96 0.38 0.54 0.02 0.00 0.00 175.30 174.23 1ocr s VAL 142 N -3.00 5.22 0.07 3.52 0.11 -0.86 -4.96 120.40 120.50 1ocr s VAL 142 Ca 0.62 -0.87 -0.21 0.00 -2.93 0.00 0.00 61.98 58.60 1ocr s VAL 142 Cb -0.17 -4.07 -0.07 0.00 -1.53 0.00 0.00 36.38 30.55 1ocr s VAL 142 CO 0.56 -0.50 0.61 -0.69 -3.33 0.00 0.00 175.10 171.76 1ocr s VAL 143 N 1.73 4.71 0.01 2.04 1.01 -1.26 -1.41 120.40 127.23 1ocr s VAL 143 Ca 0.05 1.31 -0.14 0.00 0.00 0.00 0.00 61.98 63.20 1ocr s VAL 143 Cb -0.22 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.23 1ocr s VAL 143 CO 0.08 0.52 0.31 -0.76 0.00 0.00 0.00 175.10 175.25 1ocr s LEU 144 N -0.92 0.87 0.03 3.92 1.43 -0.79 -4.96 118.68 118.26 1ocr s LEU 144 Ca 0.31 -0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.06 1ocr s LEU 144 Cb -0.20 1.31 -0.05 0.00 0.03 0.00 0.00 46.19 47.28 1ocr s LEU 144 CO 0.20 -0.52 1.18 -2.16 0.23 0.00 0.00 176.35 175.27 1ocr s PRO 145 N -1.89 4.43 1.01 1.29 0.04 -1.26 -2.68 135.00 135.94 1ocr s PRO 145 Ca -0.10 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 1ocr s PRO 145 Cb -0.03 -3.40 0.19 0.00 0.04 0.00 0.00 34.50 31.30 1ocr s PRO 145 CO 0.01 -0.27 1.08 0.00 0.04 0.00 0.00 177.00 177.86 1ocr s MET 146 N 1.27 0.36 -1.02 4.56 0.23 0.95 -3.74 119.30 121.91 1ocr s MET 146 Ca 0.57 0.67 0.00 0.00 -1.03 0.00 0.00 55.69 55.90 1ocr s MET 146 Cb -0.28 -1.72 0.00 0.00 -1.53 0.00 0.00 34.83 31.31 1ocr s MET 146 CO 0.28 -2.82 0.00 0.39 -2.03 0.00 0.00 175.02 170.84 1ocr n GLU 147 N -4.26 -2.11 -4.17 3.16 1.02 -0.54 -4.74 120.64 109.01 1ocr n GLU 147 Ca 0.05 0.58 -0.15 0.00 -0.02 0.00 0.00 57.16 57.62 1ocr n GLU 147 Cb 0.56 -5.10 -0.11 0.00 -0.02 0.00 0.00 31.44 26.77 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 -4.68 0.83 -0.58 3.49 -1.94 -1.25 -5.00 119.30 110.18 1ocr s MET 148 Ca 0.00 -1.11 -0.24 0.00 -1.71 0.00 0.00 55.69 52.64 1ocr s MET 148 Cb 0.00 -0.57 0.05 0.00 2.01 0.00 0.00 34.83 36.32 1ocr s MET 148 CO 0.00 0.10 0.95 0.99 -0.01 0.00 0.00 175.02 177.05 1ocr s THR 149 N -2.20 4.36 0.15 2.05 2.01 -1.26 -4.35 115.64 116.40 1ocr s THR 149 Ca 0.03 0.15 -0.04 0.00 0.31 0.00 0.00 61.69 62.15 1ocr s THR 149 Cb -0.04 -4.58 -0.05 0.00 0.01 0.00 0.00 72.50 67.84 1ocr s THR 149 CO 0.00 -1.20 0.37 -0.63 -0.69 0.00 0.00 174.62 172.48 1ocr s ILE 150 N 4.01 5.18 -0.18 1.82 1.09 -0.17 -1.48 121.20 131.47 1ocr s ILE 150 Ca 0.29 -0.03 -0.03 0.00 -1.10 0.00 0.00 60.65 59.77 1ocr s ILE 150 Cb -0.13 -3.64 -0.02 0.00 -1.06 0.00 0.00 42.46 37.61 1ocr s ILE 150 CO 0.17 0.01 -0.05 -0.60 -0.10 0.00 0.00 174.94 174.37 1ocr s ARG 151 N -2.75 3.50 -0.09 2.79 3.52 -0.06 -1.71 118.95 124.15 1ocr s ARG 151 Ca 0.41 -0.59 -0.02 0.00 -0.13 0.00 0.00 55.73 55.39 1ocr s ARG 151 Cb -0.12 -2.94 -0.03 0.00 -1.56 0.00 0.00 34.95 30.30 1ocr s ARG 151 CO 0.25 0.02 0.01 -1.64 -0.81 0.00 0.00 175.30 173.14 1ocr s MET 152 N 0.91 3.02 -0.13 5.12 -1.94 -0.50 -0.65 119.30 125.13 1ocr s MET 152 Ca -0.01 -0.38 0.02 0.00 -1.71 0.00 0.00 55.69 53.61 1ocr s MET 152 Cb -0.15 -2.83 0.01 0.00 2.01 0.00 0.00 34.83 33.88 1ocr s MET 152 CO 0.01 0.71 -0.20 -0.51 -0.01 0.00 0.00 175.02 175.02 1ocr s LEU 153 N -0.89 1.99 -0.08 -0.03 1.43 -0.37 -1.51 118.68 119.22 1ocr s LEU 153 Ca 0.13 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1ocr s LEU 153 Cb -0.11 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 1ocr s LEU 153 CO 0.02 0.06 -0.10 -0.69 0.23 0.00 0.00 176.35 175.87 1ocr s VAL 154 N 0.86 3.39 0.08 -1.59 1.01 0.16 -1.30 120.40 123.00 1ocr s VAL 154 Ca -0.07 -0.59 -0.03 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 33.86 1ocr s VAL 154 CO -0.02 0.58 0.16 -0.24 0.00 0.00 0.00 175.10 175.58 1ocr n SER 155 N 2.52 -0.45 -3.76 3.32 2.88 -1.01 -0.54 113.62 116.58 1ocr n SER 155 Ca -0.18 -1.35 -0.10 0.00 -1.33 0.00 0.00 58.87 55.91 1ocr n SER 155 Cb 0.53 0.76 -0.06 0.00 -0.75 0.00 0.00 64.21 64.68 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 -1.44 -0.04 0.00 -3.46 0.15 -1.25 -1.29 113.70 106.36 1ocr s SER 156 Ca 0.04 -0.45 0.14 0.00 0.70 0.00 0.00 55.95 56.38 1ocr s SER 156 Cb -0.01 0.39 0.01 0.00 -1.71 0.00 0.00 66.02 64.69 1ocr s SER 156 CO 0.03 -0.74 0.79 -0.62 1.20 0.00 0.00 173.24 173.90 1ocr n GLU 157 N 0.02 1.74 0.00 5.44 1.02 -0.55 -4.04 120.64 124.27 1ocr n GLU 157 Ca -0.16 -0.80 0.00 0.00 -0.02 0.00 0.00 57.16 56.18 1ocr n GLU 157 Cb 0.62 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.07 0.00 -2.17 1.62 5.68 -1.26 -5.03 116.55 115.32 1ocr n ASP 158 Ca 0.06 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.34 1ocr n ASP 158 Cb 0.30 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 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 -2.94 2.12 0.24 -1.26 -4.72 118.33 111.77 1ocr n VAL 159 Ca 0.00 -0.11 -0.32 0.00 -2.04 0.00 0.00 64.34 61.86 1ocr n VAL 159 Cb 0.00 -1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 31.29 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 3.96 0.25 1.34 1.43 -1.26 -4.53 118.68 119.86 1ocr s LEU 160 Ca 0.04 1.44 -0.04 0.00 -1.03 0.00 0.00 54.13 54.54 1ocr s LEU 160 Cb -0.00 -4.28 -0.02 0.00 0.03 0.00 0.00 46.19 41.91 1ocr s LEU 160 CO 0.02 -0.31 0.29 -1.00 0.23 0.00 0.00 176.35 175.58 1ocr s HIS 161 N -2.14 0.97 -0.04 0.29 3.76 -0.51 -4.51 115.29 113.11 1ocr s HIS 161 Ca 0.57 -1.21 -0.01 0.00 -0.15 0.00 0.00 55.06 54.26 1ocr s HIS 161 Cb -0.10 -0.29 0.03 0.00 1.11 0.00 0.00 32.58 33.33 1ocr s HIS 161 CO 0.18 -0.83 0.07 0.45 -0.85 0.00 0.00 174.74 173.76 1ocr s SER 162 N -3.15 0.33 -0.35 1.40 0.15 -1.26 0.49 113.70 111.31 1ocr s SER 162 Ca 0.33 0.13 -0.18 0.00 0.70 0.00 0.00 55.95 56.93 1ocr s SER 162 Cb 0.03 0.00 -0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1ocr s SER 162 CO 0.14 -0.17 0.53 0.86 1.20 0.00 0.00 173.24 175.79 1ocr s TRP 163 N 1.45 3.18 0.06 3.44 -0.00 -0.47 -1.43 118.94 125.16 1ocr s TRP 163 Ca -0.05 0.22 0.03 0.00 -0.00 0.00 0.00 56.10 56.30 1ocr s TRP 163 Cb -0.12 -2.94 -0.03 0.00 -0.00 0.00 0.00 33.47 30.38 1ocr s TRP 163 CO -0.04 -0.54 -0.10 0.00 -0.00 0.00 0.00 176.95 176.27 1ocr s ALA 164 N 2.42 0.83 -0.39 5.86 0.00 -1.26 -1.96 121.76 127.26 1ocr s ALA 164 Ca 0.19 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.31 1ocr s ALA 164 Cb -0.15 -0.01 0.16 0.00 0.00 0.00 0.00 23.12 23.12 1ocr s ALA 164 CO 0.13 0.05 0.42 0.08 0.00 0.00 0.00 175.76 176.43 1ocr s VAL 165 N -1.42 -0.34 0.15 0.00 1.01 -0.53 -3.42 120.40 115.85 1ocr s VAL 165 Ca -0.06 -1.14 -0.27 0.00 0.00 0.00 0.00 61.98 60.51 1ocr s VAL 165 Cb -0.09 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1ocr s VAL 165 CO 0.01 -0.58 1.41 -2.65 0.00 0.00 0.00 175.10 173.29 1ocr n PRO 166 N 3.96 -0.38 -0.39 2.72 -0.02 -1.26 -1.42 135.00 138.21 1ocr n PRO 166 Ca 0.14 1.39 0.34 0.00 -2.02 0.00 0.00 63.50 63.34 1ocr n PRO 166 Cb 0.47 -2.04 0.67 0.00 -0.02 0.00 0.00 33.50 32.58 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 0.18 0.17 2.55 0.02 -1.84 0.12 113.55 114.75 1ocr h SER 167 Ca 0.16 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1ocr h SER 167 Cb 0.39 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1ocr h SER 167 CO -0.87 -0.01 -0.80 0.18 -1.14 0.00 0.00 176.83 174.19 1ocr n LEU 168 N -4.38 0.88 -0.80 5.07 4.77 -0.51 -1.18 117.00 120.86 1ocr n LEU 168 Ca 0.30 -0.34 -0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1ocr n LEU 168 Cb 1.25 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 42.26 1ocr n LEU 168 CO 0.33 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1ocr n GLY 169 N 1.49 0.69 3.19 -0.72 0.00 0.41 -4.33 105.19 105.93 1ocr n GLY 169 Ca 0.05 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.59 2.15 -0.30 0.99 1.43 -1.17 -4.91 118.68 115.27 1ocr s LEU 170 Ca 0.01 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 1ocr s LEU 170 Cb -0.00 -0.80 0.18 0.00 0.03 0.00 0.00 46.19 45.60 1ocr s LEU 170 CO 0.02 0.11 0.95 -0.75 0.23 0.00 0.00 176.35 176.91 1ocr s LYS 171 N -1.03 0.29 -0.04 1.70 2.20 -1.25 -1.46 119.74 120.16 1ocr s LYS 171 Ca 0.05 0.58 -0.01 0.00 -0.36 0.00 0.00 55.97 56.23 1ocr s LYS 171 Cb -0.08 0.33 0.03 0.00 -1.51 0.00 0.00 37.83 36.60 1ocr s LYS 171 CO 0.01 -0.25 0.03 0.99 -0.36 0.00 0.00 175.35 175.77 1ocr s THR 172 N 2.79 0.05 0.57 3.43 2.01 -0.83 -4.99 115.64 118.68 1ocr s THR 172 Ca 0.03 0.23 -0.18 0.00 0.31 0.00 0.00 61.69 62.07 1ocr s THR 172 Cb -0.10 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 1ocr s THR 172 CO -0.15 0.16 1.14 -1.81 -0.69 0.00 0.00 174.62 173.27 1ocr s ASP 173 N 1.50 5.50 -0.32 3.53 1.11 -1.26 -1.37 116.67 125.35 1ocr s ASP 173 Ca -0.03 2.18 -0.07 0.00 0.18 0.00 0.00 52.55 54.80 1ocr s ASP 173 Cb -0.13 -2.58 0.02 0.00 1.07 0.00 0.00 42.92 41.31 1ocr s ASP 173 CO -0.03 -1.37 0.11 0.00 1.18 0.00 0.00 175.17 175.06 1ocr s ALA 174 N -1.85 3.09 -0.10 5.23 0.00 0.18 -4.72 121.76 123.59 1ocr s ALA 174 Ca 0.72 -1.61 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1ocr s ALA 174 Cb -0.24 -2.27 0.01 0.00 0.00 0.00 0.00 23.12 20.62 1ocr s ALA 174 CO 0.31 -1.16 -0.18 0.42 0.00 0.00 0.00 175.76 175.15 1ocr s ILE 175 N 1.47 1.69 0.23 0.00 1.01 -1.26 -1.43 121.20 122.91 1ocr s ILE 175 Ca 0.01 -0.77 -0.31 0.00 0.00 0.00 0.00 60.65 59.58 1ocr s ILE 175 Cb -0.18 -1.50 -0.15 0.00 0.01 0.00 0.00 42.46 40.64 1ocr s ILE 175 CO 0.03 0.48 1.14 -2.65 0.00 0.00 0.00 174.94 173.94 1ocr n PRO 176 N 3.94 1.37 -0.95 2.79 -0.02 -1.26 -1.21 135.00 139.65 1ocr n PRO 176 Ca -0.20 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1ocr n PRO 176 Cb 0.52 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.72 0.43 3.04 -1.23 0.00 -1.26 -4.94 105.19 102.96 1ocr n GLY 177 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.56 0.67 -0.30 1.61 3.52 -0.35 -5.12 118.95 118.42 1ocr s ARG 178 Ca 0.00 -0.47 -0.03 0.00 -0.13 0.00 0.00 55.73 55.09 1ocr s ARG 178 Cb 0.00 -0.62 0.04 0.00 -1.56 0.00 0.00 34.95 32.82 1ocr s ARG 178 CO 0.00 0.16 0.02 -0.51 -0.81 0.00 0.00 175.30 174.16 1ocr s LEU 179 N -0.66 3.91 -0.14 -0.88 1.43 -1.26 -4.29 118.68 116.78 1ocr s LEU 179 Ca 0.00 -1.15 -0.07 0.00 -1.03 0.00 0.00 54.13 51.88 1ocr s LEU 179 Cb -0.05 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1ocr s LEU 179 CO 0.00 -0.26 0.11 0.20 0.23 0.00 0.00 176.35 176.64 1ocr s ASN 180 N 1.31 6.14 -0.10 2.29 0.01 0.30 -4.87 114.94 120.03 1ocr s ASN 180 Ca -0.03 0.34 -0.04 0.00 -0.71 0.00 0.00 52.86 52.42 1ocr s ASN 180 Cb -0.19 -2.00 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 1ocr s ASN 180 CO -0.00 0.33 0.05 -1.58 -1.51 0.00 0.00 177.10 174.39 1ocr s GLN 181 N -0.54 3.14 0.09 -0.60 0.74 -1.26 0.37 119.66 121.59 1ocr s GLN 181 Ca 0.12 -0.31 -0.03 0.00 0.05 0.00 0.00 55.36 55.19 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 0.02 0.73 0.07 -0.08 -0.55 0.00 0.00 175.29 175.48 1ocr s THR 182 N -0.94 0.16 -0.20 -0.34 -1.32 -0.57 -5.00 115.64 107.42 1ocr s THR 182 Ca 0.14 -1.68 -0.01 0.00 -1.21 0.00 0.00 61.69 58.93 1ocr s THR 182 Cb -0.12 -1.67 0.01 0.00 -1.51 0.00 0.00 72.50 69.22 1ocr s THR 182 CO 0.03 -0.72 -0.13 -0.89 -2.21 0.00 0.00 174.62 170.70 1ocr s THR 183 N -3.95 2.55 -0.06 5.08 2.01 -1.26 -1.41 115.64 118.60 1ocr s THR 183 Ca 0.12 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 1ocr s THR 183 Cb 0.07 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 1ocr s THR 183 CO -0.06 0.43 0.14 -0.22 -0.69 0.00 0.00 174.62 174.22 1ocr s LEU 184 N 1.34 4.25 -0.30 4.42 0.20 -0.70 -4.98 118.68 122.92 1ocr s LEU 184 Ca 0.04 0.35 -0.06 0.00 0.69 0.00 0.00 54.13 55.15 1ocr s LEU 184 Cb -0.14 -2.30 0.18 0.00 -0.43 0.00 0.00 46.19 43.50 1ocr s LEU 184 CO -0.09 0.33 0.75 -0.32 -0.29 0.00 0.00 176.35 176.73 1ocr s MET 185 N -1.48 0.45 -0.11 1.98 -2.45 -1.26 -1.00 119.30 115.43 1ocr s MET 185 Ca 0.21 0.85 -0.03 0.00 -1.25 0.00 0.00 55.69 55.46 1ocr s MET 185 Cb -0.12 0.48 -0.03 0.00 1.25 0.00 0.00 34.83 36.40 1ocr s MET 185 CO 0.11 -0.44 0.03 0.45 1.05 0.00 0.00 175.02 176.22 1ocr s SER 186 N 2.86 5.44 -0.10 1.11 0.15 -1.26 -4.45 113.70 117.45 1ocr s SER 186 Ca 0.11 0.17 0.18 0.00 0.70 0.00 0.00 55.95 57.12 1ocr s SER 186 Cb -0.13 -1.64 0.68 0.00 -1.71 0.00 0.00 66.02 63.23 1ocr s SER 186 CO -0.18 0.35 1.59 -1.54 1.20 0.00 0.00 173.24 174.66 1ocr n SER 187 N 2.34 4.55 -3.71 5.45 3.41 -0.69 -1.46 113.62 123.51 1ocr n SER 187 Ca -0.19 -2.40 -0.13 0.00 -0.26 0.00 0.00 58.87 55.89 1ocr n SER 187 Cb 0.54 -0.55 -0.07 0.00 -0.26 0.00 0.00 64.21 63.86 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 -1.76 0.81 0.72 4.33 0.52 -1.26 -4.88 118.95 117.44 1ocr s ARG 188 Ca 0.49 -0.30 -0.07 0.00 -0.52 0.00 0.00 55.73 55.32 1ocr s ARG 188 Cb 0.31 0.36 0.06 0.00 0.52 0.00 0.00 34.95 36.20 1ocr s ARG 188 CO 0.24 -0.25 1.04 -1.25 0.02 0.00 0.00 175.30 175.10 1ocr s PRO 189 N -2.01 2.18 0.00 3.54 0.04 -1.26 -4.81 135.00 132.69 1ocr s PRO 189 Ca -0.08 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 60.76 1ocr s PRO 189 Cb -0.02 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1ocr s PRO 189 CO 0.01 -1.28 0.00 0.41 0.04 0.00 0.00 177.00 176.18 1ocr n GLY 190 N -2.97 0.43 3.33 0.56 0.00 -0.38 -4.90 105.19 101.25 1ocr n GLY 190 Ca 0.08 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 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 2.45 -0.08 0.99 1.43 -1.26 -0.73 118.68 121.47 1ocr s LEU 191 Ca 0.00 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1ocr s LEU 191 Cb 0.00 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.73 1ocr s LEU 191 CO 0.00 0.21 -0.08 -0.31 0.23 0.00 0.00 176.35 176.39 1ocr s TYR 192 N 0.09 1.30 0.18 0.29 2.02 0.24 -4.84 117.35 116.65 1ocr s TYR 192 Ca -0.08 -0.55 0.04 0.00 -0.37 0.00 0.00 57.07 56.11 1ocr s TYR 192 Cb -0.15 -1.06 -0.04 0.00 -0.40 0.00 0.00 41.96 40.31 1ocr s TYR 192 CO 0.05 -0.37 0.23 0.71 -1.57 0.00 0.00 175.55 174.60 1ocr s TYR 193 N 1.25 3.30 0.26 2.71 1.51 -1.26 -0.55 117.35 124.57 1ocr s TYR 193 Ca -0.04 0.02 -0.16 0.00 -1.01 0.00 0.00 57.07 55.88 1ocr s TYR 193 Cb -0.14 -1.56 0.01 0.00 -0.11 0.00 0.00 41.96 40.16 1ocr s TYR 193 CO -0.03 0.51 0.57 0.20 -1.11 0.00 0.00 175.55 175.70 1ocr s GLY 194 N -3.37 0.32 0.04 0.71 0.00 0.50 -4.28 107.32 101.24 1ocr s GLY 194 Ca 0.33 -0.68 -0.02 0.00 0.00 0.00 0.00 44.72 44.35 1ocr s GLY 194 CO 0.26 -0.43 -0.00 1.20 0.00 0.00 0.00 173.10 174.13 1ocr s GLN 195 N -3.93 0.54 0.13 2.90 -0.21 -1.22 -0.44 119.66 117.44 1ocr s GLN 195 Ca 0.18 -0.99 -0.34 0.00 0.02 0.00 0.00 55.36 54.23 1ocr s GLN 195 Cb -0.03 0.19 -0.14 0.00 1.00 0.00 0.00 33.01 34.04 1ocr s GLN 195 CO 0.09 -0.11 1.59 0.00 -2.12 0.00 0.00 175.29 174.73 1ocr n SER 197 N 3.65 5.39 -3.65 0.00 7.64 -0.52 -4.89 113.62 121.24 1ocr n SER 197 Ca 0.18 -3.76 -0.03 0.00 1.01 0.00 0.00 58.87 56.27 1ocr n SER 197 Cb 0.28 -0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 62.96 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 -3.63 0.58 0.08 1.43 2.56 -1.26 -4.55 118.70 113.89 1ocr s GLU 198 Ca 0.53 1.36 -0.34 0.00 0.00 0.00 0.00 54.97 56.52 1ocr s GLU 198 Cb 0.43 0.67 -0.14 0.00 2.00 0.00 0.00 34.13 37.09 1ocr s GLU 198 CO 0.03 -0.19 1.63 1.51 -0.56 0.00 0.00 175.26 177.67 1ocr n ILE 199 N 5.21 0.14 -1.34 -3.70 3.06 -1.26 -4.57 119.36 116.90 1ocr n ILE 199 Ca -0.13 -0.03 0.02 0.00 -2.50 0.00 0.00 62.75 60.11 1ocr n ILE 199 Cb 0.51 -1.52 0.03 0.00 0.54 0.00 0.00 39.64 39.20 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 -0.39 0.39 0.38 0.00 0.00 -1.26 -4.78 105.19 99.53 1ocr n GLY 201 Ca 0.04 -2.30 0.15 0.00 0.00 0.00 0.00 46.02 43.91 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 0.49 -0.62 1.61 4.64 -2.03 -2.44 113.55 115.20 1ocr h SER 202 Ca 0.00 0.04 -0.39 0.00 -0.47 0.00 0.00 61.79 60.96 1ocr h SER 202 Cb 0.00 -0.06 -0.24 0.00 -0.31 0.00 0.00 62.40 61.79 1ocr h SER 202 CO 0.00 0.23 -0.06 0.59 -0.87 0.00 0.00 176.83 176.72 1ocr n ASN 203 N -4.52 4.16 0.27 4.97 4.13 -1.26 -4.65 115.26 118.36 1ocr n ASN 203 Ca 0.17 -3.78 0.11 0.00 1.68 0.00 0.00 54.58 52.77 1ocr n ASN 203 Cb 0.56 -0.64 0.76 0.00 -1.54 0.00 0.00 39.78 38.93 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 1.50 0.00 -0.00 3.10 -0.00 -1.74 -0.99 115.15 117.02 1ocr h HIS 204 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.73 1ocr h HIS 204 Cb 1.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.95 1ocr h HIS 204 CO 1.10 0.00 -0.11 0.43 -0.00 0.00 0.00 177.93 179.35 1ocr n SER 205 N -4.22 0.26 -2.79 3.26 7.64 -1.26 -4.35 113.62 112.15 1ocr n SER 205 Ca -0.03 -0.18 -0.25 0.00 1.01 0.00 0.00 58.87 59.43 1ocr n SER 205 Cb 0.10 -0.18 -0.02 0.00 -1.01 0.00 0.00 64.21 63.10 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 -1.23 3.19 -2.94 1.43 3.72 -0.38 -4.83 117.46 116.42 1ocr n PHE 206 Ca 0.11 -3.59 -0.14 0.00 -0.05 0.00 0.00 57.45 53.78 1ocr n PHE 206 Cb 0.29 -0.34 0.01 0.00 -0.94 0.00 0.00 39.48 38.50 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 -0.25 0.81 -1.10 -1.08 0.00 -1.26 -4.64 117.12 109.60 1ocr n MET 207 Ca 0.31 -2.42 -0.29 0.00 0.00 0.00 0.00 57.70 55.30 1ocr n MET 207 Cb 0.54 -1.35 0.21 0.00 0.00 0.00 0.00 33.22 32.62 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 -0.32 -0.34 -0.05 3.17 0.04 -1.26 -3.33 135.00 132.91 1ocr s PRO 208 Ca 0.32 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1ocr s PRO 208 Cb 0.23 -1.67 0.02 0.00 0.04 0.00 0.00 34.50 33.13 1ocr s PRO 208 CO -0.16 -3.20 -0.03 0.42 0.04 0.00 0.00 177.00 174.07 1ocr s ILE 209 N -2.96 0.50 -0.11 0.56 1.01 0.42 -4.84 121.20 115.79 1ocr s ILE 209 Ca 0.68 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 61.27 1ocr s ILE 209 Cb -0.16 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.78 1ocr s ILE 209 CO 0.57 0.23 -0.11 -0.69 0.00 0.00 0.00 174.94 174.94 1ocr s VAL 210 N 1.16 1.24 -0.12 2.92 1.01 -1.26 -0.37 120.40 124.97 1ocr s VAL 210 Ca -0.07 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1ocr s VAL 210 Cb -0.14 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1ocr s VAL 210 CO -0.01 0.40 0.09 -0.76 0.00 0.00 0.00 175.10 174.82 1ocr s LEU 211 N 1.28 4.10 -0.22 3.92 1.02 0.29 -2.03 118.68 127.03 1ocr s LEU 211 Ca -0.02 0.33 0.02 0.00 0.02 0.00 0.00 54.13 54.47 1ocr s LEU 211 Cb -0.14 -1.99 0.05 0.00 0.02 0.00 0.00 46.19 44.13 1ocr s LEU 211 CO -0.04 0.36 -0.11 -0.70 0.02 0.00 0.00 176.35 175.88 1ocr s GLU 212 N -0.75 2.13 -0.21 1.70 2.12 -0.50 -0.59 118.70 122.60 1ocr s GLU 212 Ca 0.13 -1.04 -0.06 0.00 0.36 0.00 0.00 54.97 54.36 1ocr s GLU 212 Cb -0.12 -2.62 -0.03 0.00 0.26 0.00 0.00 34.13 31.62 1ocr s GLU 212 CO 0.03 -0.48 0.04 -0.51 -0.54 0.00 0.00 175.26 173.79 1ocr s LEU 213 N 1.29 3.43 0.22 2.70 1.02 0.09 -1.88 118.68 125.55 1ocr s LEU 213 Ca -0.04 -0.15 -0.00 0.00 0.02 0.00 0.00 54.13 53.96 1ocr s LEU 213 Cb -0.18 -1.89 -0.04 0.00 0.02 0.00 0.00 46.19 44.10 1ocr s LEU 213 CO -0.07 0.05 0.13 0.68 0.02 0.00 0.00 176.35 177.16 1ocr s VAL 214 N 1.11 0.12 0.71 -1.59 -7.23 -1.09 -1.25 120.40 111.17 1ocr s VAL 214 Ca 0.03 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.06 1ocr s VAL 214 Cb -0.14 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.30 1ocr s VAL 214 CO 0.02 0.00 1.16 -2.84 -0.31 0.00 0.00 175.10 173.14 1ocr s PRO 215 N -4.10 2.36 0.16 4.82 0.02 -1.26 -0.04 135.00 136.97 1ocr s PRO 215 Ca 0.39 1.60 -0.27 0.00 0.02 0.00 0.00 61.00 62.74 1ocr s PRO 215 Cb 0.07 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.72 1ocr s PRO 215 CO 0.13 -1.63 1.56 1.25 -0.33 0.00 0.00 177.00 177.98 1ocr h LEU 216 N -0.22 -1.65 -0.92 -5.54 6.46 -1.92 -1.40 115.31 110.12 1ocr h LEU 216 Ca -0.47 0.26 0.22 0.00 -0.12 0.00 0.00 57.88 57.77 1ocr h LEU 216 Cb 1.27 0.73 -0.17 0.00 -0.73 0.00 0.00 40.66 41.77 1ocr h LEU 216 CO 0.51 -0.34 -0.07 0.50 -0.62 0.00 0.00 178.44 178.43 1ocr h LYS 217 N -0.22 0.03 0.00 1.25 3.64 -2.01 0.78 116.57 120.03 1ocr h LYS 217 Ca 0.16 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1ocr h LYS 217 Cb 0.55 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1ocr h LYS 217 CO -0.72 0.02 -0.23 1.88 -2.27 0.00 0.00 179.45 178.14 1ocr h TYR 218 N 0.03 0.00 -0.20 1.91 -1.99 -1.64 -3.18 116.97 111.90 1ocr h TYR 218 Ca 0.50 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 61.18 1ocr h TYR 218 Cb 0.92 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.65 1ocr h TYR 218 CO -0.56 0.23 -0.10 0.35 -0.00 0.00 0.00 178.16 178.08 1ocr h PHE 219 N 0.00 0.47 -0.37 4.88 3.57 0.12 -2.55 116.94 123.06 1ocr h PHE 219 Ca -0.00 -0.12 0.04 0.00 3.53 0.00 0.00 57.97 61.42 1ocr h PHE 219 Cb 0.95 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 1ocr h PHE 219 CO 0.00 0.71 0.13 0.93 -2.23 0.00 0.00 178.31 177.85 1ocr h GLU 220 N 0.11 0.28 -0.50 1.11 5.08 -1.31 0.25 114.58 119.59 1ocr h GLU 220 Ca 0.04 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1ocr h GLU 220 Cb 0.58 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1ocr h GLU 220 CO 0.03 0.18 -0.06 0.87 -1.00 0.00 0.00 179.01 179.03 1ocr h LYS 221 N 0.29 0.89 -0.45 2.33 1.57 -1.61 -2.15 116.57 117.44 1ocr h LYS 221 Ca 0.17 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1ocr h LYS 221 Cb 0.14 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1ocr h LYS 221 CO -0.17 0.92 0.07 2.35 -0.57 0.00 0.00 179.45 182.05 1ocr h TRP 222 N 0.81 0.80 -0.16 -1.35 7.01 -0.96 -0.38 115.95 121.71 1ocr h TRP 222 Ca 0.14 -0.11 0.05 0.00 2.11 0.00 0.00 58.89 61.07 1ocr h TRP 222 Cb 0.57 -0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 27.36 1ocr h TRP 222 CO 0.03 0.75 -0.14 0.77 -2.79 0.00 0.00 178.44 177.07 1ocr h SER 223 N 0.61 -0.44 -0.78 2.65 0.02 -0.15 -1.38 113.55 114.08 1ocr h SER 223 Ca 0.14 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1ocr h SER 223 Cb 0.39 0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 1ocr h SER 223 CO 0.01 -0.18 0.44 0.00 -1.14 0.00 0.00 176.83 175.96 1ocr h ALA 224 N 0.95 1.29 0.00 3.77 0.00 -1.15 -1.27 119.26 122.84 1ocr h ALA 224 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ocr h ALA 224 Cb 0.31 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ocr h ALA 224 CO -0.26 0.58 0.00 0.66 0.00 0.00 0.00 179.25 180.24 1ocr h SER 225 N 1.10 0.00 -0.24 0.00 4.64 -0.21 -2.06 113.55 116.78 1ocr h SER 225 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1ocr h SER 225 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1ocr h SER 225 CO -0.05 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.14 1ocr n MET 226 N -3.04 1.71 0.00 4.77 2.81 -0.49 -5.09 117.12 117.80 1ocr n MET 226 Ca 0.00 -1.09 0.00 0.00 -1.81 0.00 0.00 57.70 54.80 1ocr n MET 226 Cb 0.28 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1ocr n MET 226 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76