#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocr n THR 2 N 0.00 0.00 -3.54 1.12 -2.24 -1.26 -5.11 114.28 103.26 1ocr n THR 2 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1ocr n THR 2 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1ocr n THR 2 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1ocr s HIS 3 N 3.14 3.57 0.32 4.78 0.09 -1.26 -5.06 115.29 120.88 1ocr s HIS 3 Ca 0.00 0.75 -0.28 0.00 -0.00 0.00 0.00 55.06 55.53 1ocr s HIS 3 Cb 0.00 -2.30 -0.10 0.00 -0.00 0.00 0.00 32.58 30.18 1ocr s HIS 3 CO 0.00 0.42 1.18 1.14 -0.00 0.00 0.00 174.74 177.47 1ocr s GLN 4 N -0.19 4.44 -0.24 1.40 -2.07 -1.26 -4.95 119.66 116.78 1ocr s GLN 4 Ca 0.20 1.93 0.10 0.00 -1.82 0.00 0.00 55.36 55.77 1ocr s GLN 4 Cb -0.14 -3.04 0.44 0.00 -1.09 0.00 0.00 33.01 29.17 1ocr s GLN 4 CO 0.08 -0.02 1.26 0.25 -1.32 0.00 0.00 175.29 175.54 1ocr n THR 5 N 0.83 2.33 -4.32 3.63 -2.24 -1.26 -5.00 114.28 108.26 1ocr n THR 5 Ca 0.00 -3.33 -0.19 0.00 -2.27 0.00 0.00 64.05 58.26 1ocr n THR 5 Cb 0.44 -0.41 -0.11 0.00 -2.10 0.00 0.00 70.33 68.16 1ocr n THR 5 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1ocr s HIS 6 N -3.31 1.67 -2.07 4.78 0.00 -1.26 -5.06 115.29 110.05 1ocr s HIS 6 Ca 0.41 -0.54 0.12 0.00 -3.00 0.00 0.00 55.06 52.06 1ocr s HIS 6 Cb 0.38 -0.82 0.49 0.00 -4.00 0.00 0.00 32.58 28.64 1ocr s HIS 6 CO -0.04 0.30 1.35 0.00 -1.00 0.00 0.00 174.74 175.35 1ocr n ALA 7 N 0.03 2.50 -1.96 -1.38 0.00 -1.26 -4.94 120.51 113.50 1ocr n ALA 7 Ca -0.11 -0.36 -0.27 0.00 0.00 0.00 0.00 53.44 52.69 1ocr n ALA 7 Cb 0.59 -1.06 0.06 0.00 0.00 0.00 0.00 19.45 19.03 1ocr n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ocr s TYR 8 N -1.78 3.05 -0.24 0.00 2.02 -1.26 -4.49 117.35 114.65 1ocr s TYR 8 Ca 0.21 0.61 -0.07 0.00 -0.37 0.00 0.00 57.07 57.45 1ocr s TYR 8 Cb 0.11 -3.10 -0.03 0.00 -0.40 0.00 0.00 41.96 38.54 1ocr s TYR 8 CO 0.16 -1.28 0.06 -1.58 -1.57 0.00 0.00 175.55 171.34 1ocr s HIS 9 N -3.24 3.09 -0.45 2.71 5.65 -1.26 -5.06 115.29 116.73 1ocr s HIS 9 Ca 0.59 -0.38 -0.15 0.00 0.25 0.00 0.00 55.06 55.36 1ocr s HIS 9 Cb -0.11 -2.21 0.06 0.00 -1.18 0.00 0.00 32.58 29.14 1ocr s HIS 9 CO 0.46 -0.30 0.37 -1.64 -0.65 0.00 0.00 174.74 172.97 1ocr s MET 10 N 1.46 2.98 0.30 2.88 -1.94 -1.26 -5.07 119.30 118.64 1ocr s MET 10 Ca 0.06 -1.25 -0.27 0.00 -1.71 0.00 0.00 55.69 52.51 1ocr s MET 10 Cb -0.15 -4.09 -0.10 0.00 2.01 0.00 0.00 34.83 32.51 1ocr s MET 10 CO 0.03 -0.94 0.95 0.14 -0.01 0.00 0.00 175.02 175.19 1ocr s VAL 11 N 1.65 4.12 0.50 -6.03 -7.23 -1.26 -5.02 120.40 107.13 1ocr s VAL 11 Ca 0.04 1.89 -0.24 0.00 -1.81 0.00 0.00 61.98 61.87 1ocr s VAL 11 Cb -0.23 -4.11 -0.07 0.00 0.56 0.00 0.00 36.38 32.54 1ocr s VAL 11 CO 0.08 0.27 1.41 0.20 -0.31 0.00 0.00 175.10 176.74 1ocr s ASN 12 N -1.44 5.54 0.25 4.85 0.02 -1.26 -4.88 114.94 118.03 1ocr s ASN 12 Ca 0.47 2.88 -0.30 0.00 -1.02 0.00 0.00 52.86 54.89 1ocr s ASN 12 Cb -0.22 -2.65 -0.14 0.00 0.02 0.00 0.00 41.25 38.26 1ocr s ASN 12 CO 0.27 -1.40 1.15 -2.65 0.02 0.00 0.00 177.10 174.50 1ocr n PRO 13 N -0.61 1.49 -4.35 -0.60 -0.02 -1.26 -4.95 135.00 124.70 1ocr n PRO 13 Ca 0.08 0.53 -0.18 0.00 -2.02 0.00 0.00 63.50 61.90 1ocr n PRO 13 Cb 0.43 -2.00 -0.15 0.00 -0.02 0.00 0.00 33.50 31.76 1ocr n PRO 13 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ocr s SER 14 N -0.23 1.06 0.11 2.55 0.15 -1.26 -5.02 113.70 111.06 1ocr s SER 14 Ca 0.64 -0.18 0.26 0.00 0.70 0.00 0.00 55.95 57.37 1ocr s SER 14 Cb -0.72 -0.11 0.74 0.00 -1.71 0.00 0.00 66.02 64.22 1ocr s SER 14 CO 0.56 0.10 1.64 -0.81 1.20 0.00 0.00 173.24 175.93 1ocr n PRO 15 N 2.78 0.17 -0.21 5.44 -0.04 -1.26 -4.12 135.00 137.76 1ocr n PRO 15 Ca -0.14 0.10 0.03 0.00 -0.04 0.00 0.00 63.50 63.45 1ocr n PRO 15 Cb 0.57 -1.66 0.29 0.00 -0.04 0.00 0.00 33.50 32.66 1ocr n PRO 15 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1ocr h TRP 16 N 0.00 0.88 -0.55 0.54 -0.00 -1.96 -1.45 115.95 113.42 1ocr h TRP 16 Ca 0.00 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 58.87 1ocr h TRP 16 Cb 0.65 -0.29 -0.02 0.00 -0.00 0.00 0.00 29.16 29.49 1ocr h TRP 16 CO 0.00 0.51 0.19 -1.35 -0.00 0.00 0.00 178.44 177.79 1ocr h PRO 17 N 0.91 0.83 0.03 0.49 0.11 -1.99 0.21 132.00 132.59 1ocr h PRO 17 Ca 0.30 -0.17 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 1ocr h PRO 17 Cb 0.06 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1ocr h PRO 17 CO -0.09 0.75 -0.01 1.25 -0.21 0.00 0.00 178.00 179.69 1ocr h LEU 18 N 0.75 -0.03 -0.83 2.35 7.12 -1.65 -0.06 115.31 122.96 1ocr h LEU 18 Ca 0.18 -0.00 0.04 0.00 0.13 0.00 0.00 57.88 58.23 1ocr h LEU 18 Cb 0.24 0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.33 1ocr h LEU 18 CO -0.01 -0.02 0.52 0.74 -0.13 0.00 0.00 178.44 179.55 1ocr h THR 19 N -0.04 1.10 -0.52 1.05 2.02 -1.12 0.34 112.91 115.75 1ocr h THR 19 Ca -0.00 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.73 1ocr h THR 19 Cb 0.03 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.43 1ocr h THR 19 CO 0.01 0.18 -0.10 1.23 0.37 0.00 0.00 175.52 177.21 1ocr h GLY 20 N 1.00 1.04 0.94 2.16 0.00 -0.25 -0.34 103.07 107.63 1ocr h GLY 20 Ca 0.34 -0.82 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1ocr h GLY 20 CO -0.13 0.75 0.09 0.00 0.00 0.00 0.00 176.54 177.25 1ocr h ALA 21 N 1.02 0.54 -0.62 3.60 0.00 -0.35 -1.71 119.26 121.74 1ocr h ALA 21 Ca 0.14 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1ocr h ALA 21 Cb 0.64 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1ocr h ALA 21 CO 0.04 0.23 0.24 -0.07 0.00 0.00 0.00 179.25 179.69 1ocr h LEU 22 N 0.53 0.84 -0.64 0.00 4.07 -0.71 -2.16 115.31 117.23 1ocr h LEU 22 Ca 0.13 -0.12 0.04 0.00 0.08 0.00 0.00 57.88 58.01 1ocr h LEU 22 Cb 0.33 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 1ocr h LEU 22 CO 0.00 0.76 0.38 0.28 -1.08 0.00 0.00 178.44 178.78 1ocr h SER 23 N 0.90 0.60 -0.85 -0.43 0.02 -0.61 -0.43 113.55 112.75 1ocr h SER 23 Ca 0.21 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1ocr h SER 23 Cb 0.19 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 1ocr h SER 23 CO -0.02 0.41 0.49 0.00 -1.14 0.00 0.00 176.83 176.57 1ocr h ALA 24 N 1.30 1.08 -0.50 3.77 0.00 -0.72 -0.79 119.26 123.40 1ocr h ALA 24 Ca 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ocr h ALA 24 Cb 0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1ocr h ALA 24 CO -0.13 0.56 0.25 1.25 0.00 0.00 0.00 179.25 181.19 1ocr h LEU 25 N 1.17 0.64 -0.70 0.00 5.85 -0.57 -2.15 115.31 119.55 1ocr h LEU 25 Ca 0.30 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 1ocr h LEU 25 Cb -0.02 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1ocr h LEU 25 CO -0.05 0.57 0.27 -0.07 -0.34 0.00 0.00 178.44 178.81 1ocr h LEU 26 N 0.66 0.98 -0.08 2.25 4.07 -0.78 -1.73 115.31 120.69 1ocr h LEU 26 Ca 0.17 -0.18 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 1ocr h LEU 26 Cb 0.09 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 41.57 1ocr h LEU 26 CO -0.02 0.90 -0.09 0.24 -1.08 0.00 0.00 178.44 178.39 1ocr h MET 27 N 1.01 0.20 -0.08 1.13 2.86 -1.04 0.21 114.93 119.22 1ocr h MET 27 Ca 0.23 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1ocr h MET 27 Cb 0.23 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1ocr h MET 27 CO -0.02 0.64 0.02 1.79 1.06 0.00 0.00 176.91 180.40 1ocr h THR 28 N -0.23 1.18 0.00 2.22 1.35 -1.38 0.44 112.91 116.50 1ocr h THR 28 Ca 0.01 -0.56 -0.07 0.00 -0.55 0.00 0.00 66.41 65.24 1ocr h THR 28 Cb 0.60 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 1ocr h THR 28 CO 0.02 0.16 -0.34 0.77 -0.25 0.00 0.00 175.52 175.88 1ocr h SER 29 N -0.07 0.00 0.09 5.36 4.64 -1.40 -0.63 113.55 121.54 1ocr h SER 29 Ca 0.03 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 1ocr h SER 29 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1ocr h SER 29 CO -0.00 0.34 -0.36 1.23 -0.87 0.00 0.00 176.83 177.17 1ocr h GLY 30 N 1.70 0.41 1.77 -0.77 0.00 0.15 0.21 103.07 106.54 1ocr h GLY 30 Ca -0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 46.80 1ocr h GLY 30 CO 0.04 0.34 -0.63 1.41 0.00 0.00 0.00 176.54 177.71 1ocr h LEU 31 N 0.32 0.26 -0.55 3.11 3.38 0.37 -1.16 115.31 121.04 1ocr h LEU 31 Ca 0.03 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 1ocr h LEU 31 Cb 0.79 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1ocr h LEU 31 CO 0.06 0.82 -0.32 0.74 0.09 0.00 0.00 178.44 179.83 1ocr h THR 32 N 0.17 1.28 -0.52 0.22 2.02 -0.05 -0.91 112.91 115.11 1ocr h THR 32 Ca -0.01 -1.48 -0.12 0.00 0.77 0.00 0.00 66.41 65.57 1ocr h THR 32 Cb 1.14 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 1ocr h THR 32 CO 0.10 0.49 -0.16 0.24 0.37 0.00 0.00 175.52 176.56 1ocr h MET 33 N 0.69 1.02 -0.04 6.66 2.86 -0.47 -2.58 114.93 123.06 1ocr h MET 33 Ca 0.07 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 1ocr h MET 33 Cb 0.87 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 1ocr h MET 33 CO 0.08 1.09 0.01 2.35 1.06 0.00 0.00 176.91 181.50 1ocr h TRP 34 N 0.90 0.08 -0.36 -0.22 7.01 -0.79 -0.21 115.95 122.36 1ocr h TRP 34 Ca 0.13 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.08 1ocr h TRP 34 Cb 0.73 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.75 1ocr h TRP 34 CO 0.05 0.31 0.05 0.74 -2.79 0.00 0.00 178.44 176.80 1ocr h PHE 35 N -0.18 0.55 0.00 2.65 0.04 -1.18 -3.22 116.94 115.61 1ocr h PHE 35 Ca 0.01 -0.04 -0.20 0.00 2.80 0.00 0.00 57.97 60.54 1ocr h PHE 35 Cb 0.28 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 1ocr h PHE 35 CO 0.02 0.51 -1.73 0.72 -0.60 0.00 0.00 178.31 177.22 1ocr n HIS 36 N -4.31 0.00 -1.53 -0.55 8.25 -0.98 -4.75 115.22 111.36 1ocr n HIS 36 Ca 0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.33 1ocr n HIS 36 Cb 0.21 -0.49 0.14 0.00 1.12 0.00 0.00 29.99 30.98 1ocr n HIS 36 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1ocr n PHE 37 N -2.99 1.93 -3.66 4.41 3.72 -0.13 -5.01 117.46 115.74 1ocr n PHE 37 Ca -0.23 -1.98 -0.05 0.00 -0.05 0.00 0.00 57.45 55.14 1ocr n PHE 37 Cb 0.73 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1ocr n PHE 37 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1ocr n ASN 38 N -1.02 -0.46 -3.94 4.37 4.05 -0.96 -4.86 115.26 112.45 1ocr n ASN 38 Ca 0.43 -0.14 -0.12 0.00 0.45 0.00 0.00 54.58 55.19 1ocr n ASN 38 Cb 1.03 -0.18 -0.13 0.00 1.23 0.00 0.00 39.78 41.73 1ocr n ASN 38 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1ocr s SER 39 N -4.56 0.28 0.00 1.20 0.15 -1.17 -4.97 113.70 104.63 1ocr s SER 39 Ca 0.05 -0.22 0.08 0.00 0.70 0.00 0.00 55.95 56.56 1ocr s SER 39 Cb -0.03 0.02 0.07 0.00 -1.71 0.00 0.00 66.02 64.37 1ocr s SER 39 CO 0.11 -0.09 0.78 0.23 1.20 0.00 0.00 173.24 175.46 1ocr n MET 40 N 2.46 0.24 0.09 5.44 2.81 -1.26 -2.30 117.12 124.60 1ocr n MET 40 Ca -0.17 -1.02 -0.12 0.00 -1.81 0.00 0.00 57.70 54.58 1ocr n MET 40 Cb 0.58 -1.16 -0.05 0.00 -0.71 0.00 0.00 33.22 31.88 1ocr n MET 40 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1ocr h THR 41 N 1.60 0.37 -0.05 2.03 2.02 -1.97 0.16 112.91 117.08 1ocr h THR 41 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1ocr h THR 41 Cb 0.35 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1ocr h THR 41 CO 0.00 0.00 -0.03 0.25 0.37 0.00 0.00 175.52 176.11 1ocr h LEU 42 N -0.47 -0.09 -1.05 2.58 5.85 -1.88 0.62 115.31 120.87 1ocr h LEU 42 Ca 0.05 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.90 1ocr h LEU 42 Cb 0.52 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.52 1ocr h LEU 42 CO -0.21 -0.04 0.63 0.25 -0.34 0.00 0.00 178.44 178.73 1ocr h LEU 43 N -0.03 0.91 -0.29 2.25 5.85 -1.61 0.15 115.31 122.54 1ocr h LEU 43 Ca 0.03 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1ocr h LEU 43 Cb 0.07 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1ocr h LEU 43 CO -0.07 0.50 -0.02 0.24 -0.34 0.00 0.00 178.44 178.75 1ocr h MET 44 N 0.98 0.52 -0.18 1.25 2.86 0.20 0.01 114.93 120.57 1ocr h MET 44 Ca 0.48 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1ocr h MET 44 Cb 0.46 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1ocr h MET 44 CO -0.24 0.69 0.11 0.82 1.06 0.00 0.00 176.91 179.35 1ocr h ILE 45 N 0.30 1.07 -0.18 -1.22 2.04 0.03 -2.24 117.51 117.30 1ocr h ILE 45 Ca 0.08 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1ocr h ILE 45 Cb 0.47 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 1ocr h ILE 45 CO 0.02 0.07 -0.22 1.23 0.00 0.00 0.00 178.15 179.25 1ocr h GLY 46 N 0.22 -0.16 0.38 5.37 0.00 -0.53 -1.16 103.07 107.19 1ocr h GLY 46 Ca 0.06 0.27 0.13 0.00 0.00 0.00 0.00 47.33 47.79 1ocr h GLY 46 CO -0.01 -0.19 0.59 1.41 0.00 0.00 0.00 176.54 178.34 1ocr h LEU 47 N -0.25 0.84 0.28 3.11 3.38 -0.82 -1.51 115.31 120.34 1ocr h LEU 47 Ca 0.12 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1ocr h LEU 47 Cb 0.42 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1ocr h LEU 47 CO -0.33 0.41 -0.14 0.74 0.09 0.00 0.00 178.44 179.22 1ocr h THR 48 N 0.89 0.76 0.00 0.22 2.02 -0.70 -2.47 112.91 113.63 1ocr h THR 48 Ca 0.50 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1ocr h THR 48 Cb 0.57 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1ocr h THR 48 CO -0.30 0.10 -0.02 0.71 0.37 0.00 0.00 175.52 176.38 1ocr h THR 49 N -0.64 0.98 -0.23 3.16 1.35 -0.88 -1.60 112.91 115.05 1ocr h THR 49 Ca -0.04 -0.06 -0.03 0.00 -0.55 0.00 0.00 66.41 65.73 1ocr h THR 49 Cb 0.45 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 1ocr h THR 49 CO 0.06 0.02 0.04 -1.13 -0.25 0.00 0.00 175.52 174.26 1ocr h ASN 50 N 0.00 0.36 -0.54 5.36 -1.24 -1.11 0.30 115.58 118.72 1ocr h ASN 50 Ca -0.00 -0.25 -0.06 0.00 0.71 0.00 0.00 56.30 56.70 1ocr h ASN 50 Cb 0.03 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 1ocr h ASN 50 CO 0.00 0.52 0.11 0.24 -1.29 0.00 0.00 177.43 177.02 1ocr h MET 51 N 0.19 0.87 -0.82 6.67 2.86 -0.90 -0.79 114.93 123.01 1ocr h MET 51 Ca 0.07 -0.22 0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1ocr h MET 51 Cb 0.31 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 1ocr h MET 51 CO 0.00 0.84 0.53 -0.07 1.06 0.00 0.00 176.91 179.27 1ocr h LEU 52 N 0.77 0.88 -0.16 1.22 3.38 -1.13 0.97 115.31 121.24 1ocr h LEU 52 Ca 0.17 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1ocr h LEU 52 Cb 0.37 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1ocr h LEU 52 CO 0.01 0.61 0.02 0.74 0.09 0.00 0.00 178.44 179.90 1ocr h THR 53 N 1.04 1.23 -0.74 0.22 2.02 -0.50 -1.70 112.91 114.48 1ocr h THR 53 Ca 0.32 -0.76 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 1ocr h THR 53 Cb -0.01 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1ocr h THR 53 CO -0.11 0.23 0.26 0.24 0.37 0.00 0.00 175.52 176.52 1ocr h MET 54 N 0.03 1.12 0.21 6.66 2.86 -0.88 0.82 114.93 125.76 1ocr h MET 54 Ca 0.05 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1ocr h MET 54 Cb 0.33 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1ocr h MET 54 CO 0.00 0.93 -0.10 -0.92 1.06 0.00 0.00 176.91 177.88 1ocr h TYR 55 N 1.09 -0.26 -0.24 -0.22 3.20 -0.70 -2.21 116.97 117.63 1ocr h TYR 55 Ca 0.24 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.98 1ocr h TYR 55 Cb 0.25 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1ocr h TYR 55 CO 0.02 -0.10 -0.40 1.96 -1.64 0.00 0.00 178.16 178.01 1ocr h GLN 56 N -0.37 0.57 0.21 1.82 4.20 -1.08 -0.76 115.11 119.70 1ocr h GLN 56 Ca -0.03 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 1ocr h GLN 56 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1ocr h GLN 56 CO 0.05 0.87 -0.10 2.35 -0.67 0.00 0.00 178.83 181.32 1ocr h TRP 57 N 0.47 -0.27 0.00 2.96 2.91 -0.83 -1.69 115.95 119.50 1ocr h TRP 57 Ca 0.04 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.02 1ocr h TRP 57 Cb 0.89 0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.63 1ocr h TRP 57 CO 0.04 0.01 -0.18 -1.49 -1.03 0.00 0.00 178.44 175.79 1ocr h TRP 58 N -0.53 0.00 -0.22 2.65 6.55 -1.37 -1.93 115.95 121.09 1ocr h TRP 58 Ca -0.03 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 59.78 1ocr h TRP 58 Cb 0.40 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.69 1ocr h TRP 58 CO 0.01 0.18 0.02 -0.09 -1.05 0.00 0.00 178.44 177.51 1ocr h ARG 59 N 0.00 0.38 -0.49 0.49 2.43 -0.87 -2.22 114.38 114.09 1ocr h ARG 59 Ca -0.00 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1ocr h ARG 59 Cb 0.57 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1ocr h ARG 59 CO 0.02 0.54 0.26 -0.44 -1.51 0.00 0.00 179.97 178.85 1ocr h ASP 60 N 0.16 0.62 -0.79 -3.80 3.32 -0.88 -0.91 116.42 114.15 1ocr h ASP 60 Ca 0.07 -0.10 0.12 0.00 0.02 0.00 0.00 57.03 57.14 1ocr h ASP 60 Cb 0.35 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.69 1ocr h ASP 60 CO 0.01 0.54 0.52 0.58 -1.72 0.00 0.00 179.24 179.16 1ocr h VAL 61 N 0.65 0.88 -0.18 -1.35 2.07 -1.14 0.39 116.25 117.57 1ocr h VAL 61 Ca 0.17 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 1ocr h VAL 61 Cb 0.06 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1ocr h VAL 61 CO -0.03 0.11 -0.24 0.40 0.02 0.00 0.00 177.57 177.84 1ocr h ILE 62 N 0.62 1.34 -0.59 4.57 2.04 -0.74 -2.13 117.51 122.62 1ocr h ILE 62 Ca 0.38 -1.43 0.05 0.00 1.00 0.00 0.00 64.86 64.86 1ocr h ILE 62 Cb 0.61 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 1ocr h ILE 62 CO -0.14 0.43 0.31 0.03 0.00 0.00 0.00 178.15 178.78 1ocr h ARG 63 N 0.13 0.57 0.00 2.37 3.08 0.36 0.16 114.38 121.05 1ocr h ARG 63 Ca 0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1ocr h ARG 63 Cb 0.80 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 1ocr h ARG 63 CO 0.06 0.38 -0.16 0.93 -1.07 0.00 0.00 179.97 180.10 1ocr h GLU 64 N 0.59 0.00 0.00 0.04 5.08 -0.20 0.16 114.58 120.25 1ocr h GLU 64 Ca 0.26 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 1ocr h GLU 64 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1ocr h GLU 64 CO -0.17 0.16 -1.05 -1.13 -1.00 0.00 0.00 179.01 175.81 1ocr n SER 65 N -3.50 1.78 -0.09 1.42 3.41 -0.62 -1.02 113.62 115.00 1ocr n SER 65 Ca -0.01 0.30 -0.14 0.00 -0.26 0.00 0.00 58.87 58.76 1ocr n SER 65 Cb 0.32 -0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 63.55 1ocr n SER 65 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1ocr h THR 66 N -0.84 1.28 0.08 6.66 2.02 -0.87 -2.04 112.91 119.20 1ocr h THR 66 Ca -0.09 -1.65 -0.36 0.00 0.77 0.00 0.00 66.41 65.09 1ocr h THR 66 Cb 0.94 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 1ocr h THR 66 CO -0.05 0.54 -2.02 0.49 0.37 0.00 0.00 175.52 174.85 1ocr n PHE 67 N -4.06 1.03 0.93 3.16 3.72 -0.94 -4.43 117.46 116.87 1ocr n PHE 67 Ca -0.04 0.24 0.09 0.00 -0.05 0.00 0.00 57.45 57.70 1ocr n PHE 67 Cb 0.59 -1.14 -0.09 0.00 -0.94 0.00 0.00 39.48 37.90 1ocr n PHE 67 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1ocr n GLN 68 N -3.35 0.70 -2.68 -1.08 6.02 0.50 -5.00 117.38 112.49 1ocr n GLN 68 Ca -0.31 -0.22 -0.17 0.00 -0.01 0.00 0.00 57.00 56.30 1ocr n GLN 68 Cb 1.05 -1.43 0.02 0.00 1.02 0.00 0.00 30.24 30.90 1ocr n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ocr n GLY 69 N 1.44 -0.27 0.03 1.08 0.00 -0.76 -4.91 105.19 101.79 1ocr n GLY 69 Ca 0.05 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1ocr n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ocr n HIS 70 N -4.17 0.24 -2.44 1.61 8.25 -0.19 -4.52 115.22 114.00 1ocr n HIS 70 Ca -0.12 0.07 -0.43 0.00 -0.26 0.00 0.00 57.72 56.98 1ocr n HIS 70 Cb 0.61 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1ocr n HIS 70 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ocr n HIS 71 N -1.70 4.15 -1.21 4.41 8.25 -1.26 -4.69 115.22 123.17 1ocr n HIS 71 Ca 0.06 -3.00 -0.29 0.00 -0.26 0.00 0.00 57.72 54.24 1ocr n HIS 71 Cb 0.36 -2.36 0.18 0.00 1.12 0.00 0.00 29.99 29.30 1ocr n HIS 71 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ocr s THR 72 N 2.48 1.97 0.41 1.59 -4.23 -1.26 -4.69 115.64 111.91 1ocr s THR 72 Ca 0.46 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.11 1ocr s THR 72 Cb 0.06 -2.53 0.34 0.00 1.34 0.00 0.00 72.50 71.71 1ocr s THR 72 CO 0.01 0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 175.36 1ocr h PRO 73 N -1.93 0.47 -0.41 3.99 0.11 -1.92 -1.23 132.00 131.09 1ocr h PRO 73 Ca -0.54 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.48 1ocr h PRO 73 Cb 1.33 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1ocr h PRO 73 CO 0.57 0.31 -0.01 0.00 -0.21 0.00 0.00 178.00 178.66 1ocr h ALA 74 N 1.65 0.55 -0.63 -0.75 0.00 -1.91 -2.22 119.26 115.94 1ocr h ALA 74 Ca 0.36 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1ocr h ALA 74 Cb 0.71 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1ocr h ALA 74 CO -0.12 0.34 0.11 0.28 0.00 0.00 0.00 179.25 179.85 1ocr h VAL 75 N 0.55 1.26 -0.21 0.00 2.07 -1.49 -2.73 116.25 115.71 1ocr h VAL 75 Ca 0.11 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1ocr h VAL 75 Cb 0.49 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1ocr h VAL 75 CO 0.02 0.37 0.08 1.56 0.02 0.00 0.00 177.57 179.62 1ocr h GLN 76 N 0.97 0.31 -0.97 1.57 4.20 -1.18 -1.78 115.11 118.22 1ocr h GLN 76 Ca 0.20 -0.06 0.13 0.00 0.06 0.00 0.00 58.65 58.98 1ocr h GLN 76 Cb 0.41 -0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.05 1ocr h GLN 76 CO 0.01 0.38 0.62 -0.22 -0.67 0.00 0.00 178.83 178.95 1ocr h LYS 77 N 0.18 0.87 -0.34 1.46 3.64 -1.32 -0.30 116.57 120.76 1ocr h LYS 77 Ca 0.07 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1ocr h LYS 77 Cb 0.19 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1ocr h LYS 77 CO -0.00 0.57 0.11 0.78 -2.27 0.00 0.00 179.45 178.64 1ocr h GLY 78 N 0.89 0.56 1.51 5.01 0.00 -1.09 -2.65 103.07 107.29 1ocr h GLY 78 Ca 0.49 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.53 1ocr h GLY 78 CO -0.26 0.30 0.25 1.41 0.00 0.00 0.00 176.54 178.24 1ocr h LEU 79 N 0.39 0.31 -0.20 3.11 3.38 -0.26 -1.52 115.31 120.52 1ocr h LEU 79 Ca 0.11 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1ocr h LEU 79 Cb 0.24 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1ocr h LEU 79 CO -0.00 0.21 -0.02 0.03 0.09 0.00 0.00 178.44 178.75 1ocr h ARG 80 N 0.36 0.37 -0.52 1.13 3.08 -0.89 -1.36 114.38 116.55 1ocr h ARG 80 Ca 0.16 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1ocr h ARG 80 Cb 0.17 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1ocr h ARG 80 CO -0.04 0.59 0.28 1.88 -1.07 0.00 0.00 179.97 181.62 1ocr h TYR 81 N 0.11 0.72 -0.69 3.04 0.05 -1.14 -2.06 116.97 117.01 1ocr h TYR 81 Ca 0.05 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.83 1ocr h TYR 81 Cb 0.44 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 37.91 1ocr h TYR 81 CO 0.04 0.54 0.45 0.78 -1.05 0.00 0.00 178.16 178.92 1ocr h GLY 82 N 0.70 0.97 0.88 3.88 0.00 -1.13 -0.70 103.07 107.67 1ocr h GLY 82 Ca 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1ocr h GLY 82 CO -0.03 0.32 -0.12 1.98 0.00 0.00 0.00 176.54 178.70 1ocr h MET 83 N 0.90 -0.32 -0.36 4.80 1.85 -1.08 -1.03 114.93 119.69 1ocr h MET 83 Ca 0.26 0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.44 1ocr h MET 83 Cb -0.06 0.07 -0.06 0.00 0.43 0.00 0.00 31.60 31.98 1ocr h MET 83 CO -0.07 -0.12 -0.04 0.82 -0.40 0.00 0.00 176.91 177.10 1ocr h ILE 84 N -0.46 0.69 -1.00 1.77 2.04 -1.17 0.95 117.51 120.33 1ocr h ILE 84 Ca -0.03 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1ocr h ILE 84 Cb 0.35 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 1ocr h ILE 84 CO 0.06 0.01 0.66 -0.07 0.00 0.00 0.00 178.15 178.81 1ocr h LEU 85 N 0.05 1.11 -0.31 1.44 4.07 -1.08 -1.06 115.31 119.55 1ocr h LEU 85 Ca 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 1ocr h LEU 85 Cb 0.25 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 1ocr h LEU 85 CO -0.33 0.78 0.17 0.15 -1.08 0.00 0.00 178.44 178.13 1ocr h PHE 86 N 1.30 0.42 -0.91 1.13 3.57 0.49 -2.33 116.94 120.61 1ocr h PHE 86 Ca 0.39 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.89 1ocr h PHE 86 Cb -0.05 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.50 1ocr h PHE 86 CO -0.00 0.34 0.60 0.82 -2.23 0.00 0.00 178.31 177.84 1ocr h ILE 87 N 0.38 1.21 -0.69 1.41 2.04 -0.39 -2.01 117.51 119.47 1ocr h ILE 87 Ca 0.11 -0.42 0.07 0.00 1.00 0.00 0.00 64.86 65.62 1ocr h ILE 87 Cb 0.06 -0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 35.97 1ocr h ILE 87 CO -0.02 0.22 0.38 0.40 0.00 0.00 0.00 178.15 179.13 1ocr h ILE 88 N 1.21 0.94 -0.02 -0.67 2.04 -0.70 -0.19 117.51 120.13 1ocr h ILE 88 Ca 0.34 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.86 1ocr h ILE 88 Cb -0.11 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 1ocr h ILE 88 CO -0.08 0.12 -0.49 0.77 0.00 0.00 0.00 178.15 178.47 1ocr h SER 89 N 0.68 0.04 -0.50 1.72 4.64 -0.94 -1.87 113.55 117.32 1ocr h SER 89 Ca 0.32 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.54 1ocr h SER 89 Cb 0.24 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1ocr h SER 89 CO -0.21 0.53 0.04 -0.33 -0.87 0.00 0.00 176.83 175.99 1ocr h GLU 90 N 0.03 0.91 -0.67 4.77 4.39 -0.48 -1.31 114.58 122.23 1ocr h GLU 90 Ca -0.00 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 1ocr h GLU 90 Cb 0.88 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.39 1ocr h GLU 90 CO 0.07 0.88 0.38 0.28 -1.16 0.00 0.00 179.01 179.46 1ocr h VAL 91 N 0.85 1.20 -0.09 3.13 2.07 -0.35 -1.05 116.25 122.01 1ocr h VAL 91 Ca 0.17 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 1ocr h VAL 91 Cb 0.45 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1ocr h VAL 91 CO 0.02 0.21 -0.34 -0.07 0.02 0.00 0.00 177.57 177.41 1ocr h LEU 92 N 0.91 0.18 0.42 2.57 4.07 -1.14 -1.17 115.31 121.15 1ocr h LEU 92 Ca 0.24 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 1ocr h LEU 92 Cb 0.00 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.70 1ocr h LEU 92 CO -0.04 0.52 -0.20 0.15 -1.08 0.00 0.00 178.44 177.79 1ocr h PHE 93 N 0.16 -0.52 0.00 1.13 3.57 -0.37 -1.62 116.94 119.28 1ocr h PHE 93 Ca 0.02 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1ocr h PHE 93 Cb 0.69 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1ocr h PHE 93 CO 0.01 -0.29 -0.03 0.74 -2.23 0.00 0.00 178.31 176.51 1ocr h PHE 94 N -0.63 0.00 -0.05 0.41 0.04 -0.96 -1.53 116.94 114.22 1ocr h PHE 94 Ca -0.06 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.66 1ocr h PHE 94 Cb 0.47 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 1ocr h PHE 94 CO -0.03 0.03 -0.22 1.15 -0.60 0.00 0.00 178.31 178.63 1ocr h THR 95 N 0.00 1.18 -0.76 -1.55 2.02 -0.21 -2.08 112.91 111.52 1ocr h THR 95 Ca -0.00 -0.86 -0.05 0.00 0.77 0.00 0.00 66.41 66.27 1ocr h THR 95 Cb 0.11 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1ocr h THR 95 CO 0.00 0.25 0.27 1.23 0.37 0.00 0.00 175.52 177.64 1ocr h GLY 96 N 0.76 1.25 1.62 2.16 0.00 -1.14 -1.45 103.07 106.27 1ocr h GLY 96 Ca 0.01 -0.71 -0.14 0.00 0.00 0.00 0.00 47.33 46.49 1ocr h GLY 96 CO 0.03 0.67 -0.53 0.74 0.00 0.00 0.00 176.54 177.45 1ocr h PHE 97 N 1.12 0.50 -0.05 5.60 0.04 -1.49 -1.91 116.94 120.76 1ocr h PHE 97 Ca 0.25 -0.17 -0.12 0.00 2.80 0.00 0.00 57.97 60.72 1ocr h PHE 97 Cb 0.27 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1ocr h PHE 97 CO 0.02 0.85 -0.54 0.74 -0.60 0.00 0.00 178.31 178.78 1ocr h PHE 98 N 0.31 0.16 0.01 -0.55 0.04 -1.16 -1.42 116.94 114.33 1ocr h PHE 98 Ca 0.01 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 1ocr h PHE 98 Cb 1.03 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.15 1ocr h PHE 98 CO 0.03 0.64 -0.00 2.35 -0.60 0.00 0.00 178.31 180.73 1ocr h TRP 99 N 0.10 -0.01 -0.24 -0.55 2.91 -1.03 -0.87 115.95 116.27 1ocr h TRP 99 Ca -0.00 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.07 1ocr h TRP 99 Cb 0.98 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.58 1ocr h TRP 99 CO 0.01 0.24 -0.09 0.00 -1.03 0.00 0.00 178.44 177.56 1ocr h ALA 100 N 0.74 0.11 0.21 2.65 0.00 -1.13 0.25 119.26 122.10 1ocr h ALA 100 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ocr h ALA 100 Cb 0.25 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ocr h ALA 100 CO 0.00 -0.51 -0.20 0.35 0.00 0.00 0.00 179.25 178.90 1ocr h PHE 101 N -0.05 -0.52 -0.29 0.00 3.57 -1.12 -1.02 116.94 117.51 1ocr h PHE 101 Ca 0.12 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1ocr h PHE 101 Cb 0.24 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1ocr h PHE 101 CO -0.27 -0.30 0.02 1.88 -2.23 0.00 0.00 178.31 177.41 1ocr h TYR 102 N -0.43 0.44 -0.24 0.41 0.05 -0.79 -0.39 116.97 116.01 1ocr h TYR 102 Ca -0.00 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1ocr h TYR 102 Cb 0.40 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 1ocr h TYR 102 CO -0.15 0.42 0.09 1.25 -1.05 0.00 0.00 178.16 178.73 1ocr h HIS 103 N 0.42 0.37 -0.12 4.88 2.76 0.11 -1.78 115.15 121.79 1ocr h HIS 103 Ca 0.10 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 1ocr h HIS 103 Cb 0.24 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.09 1ocr h HIS 103 CO 0.01 0.40 -0.23 0.77 -1.30 0.00 0.00 177.93 177.57 1ocr h SER 104 N 0.23 0.41 1.04 3.26 0.02 -0.83 -3.21 113.55 114.47 1ocr h SER 104 Ca 0.08 -0.55 -0.07 0.00 -0.84 0.00 0.00 61.79 60.41 1ocr h SER 104 Cb 0.19 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1ocr h SER 104 CO -0.01 0.89 -0.34 0.77 -1.14 0.00 0.00 176.83 177.00 1ocr h SER 105 N -0.05 0.00 1.38 3.07 4.64 -1.11 -3.01 113.55 118.47 1ocr h SER 105 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1ocr h SER 105 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1ocr h SER 105 CO 0.05 0.34 -0.41 -0.07 -0.87 0.00 0.00 176.83 175.87 1ocr h LEU 106 N 0.00 0.00 -6.00 5.97 3.38 -1.41 -3.38 115.31 113.87 1ocr h LEU 106 Ca -0.00 -0.05 -0.55 0.00 0.09 0.00 0.00 57.88 57.37 1ocr h LEU 106 Cb 0.95 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.30 1ocr h LEU 106 CO 0.04 0.02 -1.08 0.00 0.09 0.00 0.00 178.44 177.52 1ocr n ALA 107 N -2.01 2.51 -1.81 1.53 0.00 -1.19 -5.10 120.51 114.44 1ocr n ALA 107 Ca 0.03 -3.53 -0.42 0.00 0.00 0.00 0.00 53.44 49.52 1ocr n ALA 107 Cb 0.50 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 1ocr n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ocr s PRO 108 N -1.60 4.17 0.57 0.00 0.04 -1.14 -4.82 135.00 132.22 1ocr s PRO 108 Ca 0.37 2.48 -0.13 0.00 0.04 0.00 0.00 61.00 63.76 1ocr s PRO 108 Cb 0.21 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.62 1ocr s PRO 108 CO -0.10 -0.60 1.00 0.95 0.04 0.00 0.00 177.00 178.29 1ocr s THR 109 N 0.41 4.66 0.41 1.26 -4.23 -1.26 -4.55 115.64 112.34 1ocr s THR 109 Ca 0.66 0.96 0.16 0.00 -1.18 0.00 0.00 61.69 62.29 1ocr s THR 109 Cb -0.46 -3.82 0.36 0.00 1.34 0.00 0.00 72.50 69.93 1ocr s THR 109 CO 0.41 -0.97 1.88 -0.65 -0.54 0.00 0.00 174.62 174.75 1ocr h PRO 110 N 0.16 0.43 0.00 3.99 0.11 -1.94 0.04 132.00 134.79 1ocr h PRO 110 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ocr h PRO 110 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ocr h PRO 110 CO 0.62 0.29 0.00 -1.91 -0.21 0.00 0.00 178.00 176.79 1ocr n GLU 111 N -4.50 0.34 0.00 1.05 4.07 -1.26 -1.60 120.64 118.74 1ocr n GLU 111 Ca 0.17 0.08 0.05 0.00 -0.06 0.00 0.00 57.16 57.40 1ocr n GLU 111 Cb 0.60 -1.50 -0.06 0.00 -0.06 0.00 0.00 31.44 30.43 1ocr n GLU 111 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1ocr n LEU 112 N -1.16 0.58 0.00 4.31 7.94 -0.07 -4.93 117.00 123.67 1ocr n LEU 112 Ca 0.09 -0.52 0.00 0.00 -1.11 0.00 0.00 56.01 54.47 1ocr n LEU 112 Cb 0.09 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.04 1ocr n LEU 112 CO 0.11 0.14 0.00 0.61 -1.11 0.00 0.00 177.39 177.14 1ocr n GLY 113 N 1.23 0.80 2.40 -3.96 0.00 -0.63 -1.70 105.19 103.33 1ocr n GLY 113 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1ocr n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ocr n GLY 114 N -1.14 -0.45 3.23 -0.02 0.00 -0.76 -4.95 105.19 101.10 1ocr n GLY 114 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 1ocr n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ocr s TRP 116 N -3.85 1.43 0.70 0.00 -0.11 -1.26 -3.37 118.94 112.47 1ocr s TRP 116 Ca 0.05 -0.50 -0.14 0.00 1.22 0.00 0.00 56.10 56.72 1ocr s TRP 116 Cb 0.04 -1.04 0.02 0.00 -1.50 0.00 0.00 33.47 31.00 1ocr s TRP 116 CO -0.11 -0.25 1.13 -2.14 -4.62 0.00 0.00 176.95 170.96 1ocr s PRO 117 N 0.57 2.51 0.66 5.86 0.02 -1.26 -4.96 135.00 138.40 1ocr s PRO 117 Ca -0.13 1.47 -0.17 0.00 0.02 0.00 0.00 61.00 62.20 1ocr s PRO 117 Cb -0.15 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 1ocr s PRO 117 CO 0.03 -1.49 0.81 -2.30 -0.33 0.00 0.00 177.00 173.72 1ocr n PRO 118 N -2.66 0.59 -2.16 5.54 -0.02 -1.22 -4.88 135.00 130.20 1ocr n PRO 118 Ca 0.11 0.25 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 1ocr n PRO 118 Cb 0.52 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 1ocr n PRO 118 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ocr s THR 119 N -1.71 2.94 0.00 3.45 -4.23 -0.69 -2.38 115.64 113.01 1ocr s THR 119 Ca 0.72 0.85 0.00 0.00 -1.18 0.00 0.00 61.69 62.08 1ocr s THR 119 Cb -0.38 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 69.92 1ocr s THR 119 CO 0.51 0.16 0.00 0.61 -0.54 0.00 0.00 174.62 175.36 1ocr n GLY 120 N 1.67 0.33 3.76 3.99 0.00 -1.26 -4.97 105.19 108.71 1ocr n GLY 120 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1ocr n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ocr s ILE 121 N -2.02 5.39 -0.56 -0.61 -1.09 -1.00 -5.06 121.20 116.26 1ocr s ILE 121 Ca 0.00 0.29 -0.01 0.00 -2.23 0.00 0.00 60.65 58.70 1ocr s ILE 121 Cb 0.00 -3.50 0.14 0.00 -1.58 0.00 0.00 42.46 37.52 1ocr s ILE 121 CO 0.00 0.46 0.35 -1.00 -1.23 0.00 0.00 174.94 173.52 1ocr s HIS 122 N 0.13 3.41 0.74 3.97 3.76 -1.26 -4.91 115.29 121.13 1ocr s HIS 122 Ca 0.11 -2.76 -0.14 0.00 -0.15 0.00 0.00 55.06 52.12 1ocr s HIS 122 Cb -0.12 -3.12 0.04 0.00 1.11 0.00 0.00 32.58 30.49 1ocr s HIS 122 CO 0.01 -0.85 1.18 -1.25 -0.85 0.00 0.00 174.74 172.97 1ocr s PRO 123 N 0.14 2.14 0.88 8.40 0.04 -1.26 -4.74 135.00 140.61 1ocr s PRO 123 Ca 0.15 1.63 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1ocr s PRO 123 Cb -0.22 -1.85 0.12 0.00 0.04 0.00 0.00 34.50 32.60 1ocr s PRO 123 CO -0.03 -1.81 1.09 -0.51 0.04 0.00 0.00 177.00 175.78 1ocr s LEU 124 N -5.30 2.34 -0.24 -3.56 1.43 -1.26 -5.01 118.68 107.08 1ocr s LEU 124 Ca 0.71 1.54 -0.17 0.00 -1.03 0.00 0.00 54.13 55.18 1ocr s LEU 124 Cb -0.26 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 41.94 1ocr s LEU 124 CO 0.47 -2.59 0.45 0.21 0.23 0.00 0.00 176.35 175.11 1ocr s ASN 125 N -3.40 6.41 0.19 2.29 3.84 -1.26 -4.95 114.94 118.07 1ocr s ASN 125 Ca 0.63 0.49 0.17 0.00 0.21 0.00 0.00 52.86 54.37 1ocr s ASN 125 Cb -0.18 -2.25 0.82 0.00 -0.55 0.00 0.00 41.25 39.09 1ocr s ASN 125 CO 0.57 -0.18 1.53 -0.81 -2.79 0.00 0.00 177.10 175.41 1ocr n PRO 126 N 5.06 0.11 -0.09 0.43 -0.04 -1.26 -2.25 135.00 136.97 1ocr n PRO 126 Ca -0.06 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1ocr n PRO 126 Cb 0.50 -1.78 0.36 0.00 -0.04 0.00 0.00 33.50 32.54 1ocr n PRO 126 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ocr n LEU 127 N -2.00 1.91 0.00 1.53 4.77 -1.26 -2.49 117.00 119.45 1ocr n LEU 127 Ca 0.01 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1ocr n LEU 127 Cb 0.11 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ocr n LEU 127 CO 0.12 0.39 0.00 -0.62 -1.33 0.00 0.00 177.39 175.95 1ocr n GLU 128 N 0.48 0.00 -0.29 3.23 1.02 -0.95 -4.69 120.64 119.44 1ocr n GLU 128 Ca 0.17 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.42 1ocr n GLU 128 Cb 0.37 0.00 0.27 0.00 -0.02 0.00 0.00 31.44 32.07 1ocr n GLU 128 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ocr h VAL 129 N 0.00 0.51 -0.38 2.62 2.07 -1.88 0.10 116.25 119.31 1ocr h VAL 129 Ca 0.00 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.48 1ocr h VAL 129 Cb 0.00 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 1ocr h VAL 129 CO 0.00 0.07 0.27 -0.65 0.02 0.00 0.00 177.57 177.28 1ocr h PRO 130 N 0.41 0.03 -0.21 1.57 0.11 -1.76 0.16 132.00 132.30 1ocr h PRO 130 Ca 0.52 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.51 1ocr h PRO 130 Cb 0.95 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1ocr h PRO 130 CO -0.51 0.02 -0.35 1.25 -0.21 0.00 0.00 178.00 178.20 1ocr h LEU 131 N 0.03 0.67 0.08 2.35 6.46 -0.49 -2.37 115.31 122.04 1ocr h LEU 131 Ca 0.18 -0.53 0.02 0.00 -0.12 0.00 0.00 57.88 57.43 1ocr h LEU 131 Cb 0.67 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 1ocr h LEU 131 CO -0.01 1.07 -0.24 0.25 -0.62 0.00 0.00 178.44 178.90 1ocr h LEU 132 N 0.29 -0.68 -1.10 2.25 6.46 -0.36 -1.01 115.31 121.17 1ocr h LEU 132 Ca 0.02 0.08 0.13 0.00 -0.12 0.00 0.00 57.88 57.99 1ocr h LEU 132 Cb 0.94 0.26 -0.08 0.00 -0.73 0.00 0.00 40.66 41.05 1ocr h LEU 132 CO 0.08 -0.32 0.61 0.78 -0.62 0.00 0.00 178.44 178.97 1ocr h ASN 133 N -0.42 0.84 -0.31 1.25 2.35 -0.90 0.79 115.58 119.18 1ocr h ASN 133 Ca 0.04 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1ocr h ASN 133 Cb 0.46 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1ocr h ASN 133 CO -0.16 0.44 0.15 0.74 -1.65 0.00 0.00 177.43 176.95 1ocr h THR 134 N 0.89 1.16 -0.09 2.81 2.02 -0.77 -2.03 112.91 116.90 1ocr h THR 134 Ca 0.48 -0.47 -0.10 0.00 0.77 0.00 0.00 66.41 67.09 1ocr h THR 134 Cb 0.57 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1ocr h THR 134 CO -0.25 0.17 -0.41 0.77 0.37 0.00 0.00 175.52 176.17 1ocr h SER 135 N 0.37 0.20 -0.20 4.18 4.64 0.16 -2.18 113.55 120.72 1ocr h SER 135 Ca 0.11 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1ocr h SER 135 Cb 0.13 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1ocr h SER 135 CO -0.01 0.59 0.03 0.58 -0.87 0.00 0.00 176.83 177.16 1ocr h VAL 136 N 0.16 1.22 -0.26 0.95 2.07 -0.65 -1.76 116.25 117.98 1ocr h VAL 136 Ca 0.01 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 1ocr h VAL 136 Cb 0.80 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1ocr h VAL 136 CO 0.06 0.23 -0.04 -0.07 0.02 0.00 0.00 177.57 177.76 1ocr h LEU 137 N 0.13 0.49 -1.13 2.57 4.07 -1.24 -2.30 115.31 117.90 1ocr h LEU 137 Ca 0.06 -0.35 -0.03 0.00 0.08 0.00 0.00 57.88 57.64 1ocr h LEU 137 Cb 0.31 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 1ocr h LEU 137 CO 0.00 0.73 0.24 -0.07 -1.08 0.00 0.00 178.44 178.26 1ocr h LEU 138 N 0.25 0.78 -1.28 1.67 3.38 -1.42 -1.35 115.31 117.34 1ocr h LEU 138 Ca 0.07 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1ocr h LEU 138 Cb 0.50 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1ocr h LEU 138 CO 0.02 0.69 0.15 0.00 0.09 0.00 0.00 178.44 179.40 1ocr h ALA 139 N 1.42 1.43 0.00 1.53 0.00 -1.17 -0.14 119.26 122.33 1ocr h ALA 139 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ocr h ALA 139 Cb 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ocr h ALA 139 CO -0.02 0.43 0.00 -1.13 0.00 0.00 0.00 179.25 178.53 1ocr n SER 140 N -4.34 0.64 0.02 0.00 3.41 -0.58 -1.48 113.62 111.28 1ocr n SER 140 Ca 0.03 0.59 -0.13 0.00 -0.26 0.00 0.00 58.87 59.10 1ocr n SER 140 Cb 0.17 -0.75 -0.01 0.00 -0.26 0.00 0.00 64.21 63.37 1ocr n SER 140 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1ocr h GLY 141 N 3.87 0.62 0.49 5.00 0.00 -0.30 -2.37 103.07 110.38 1ocr h GLY 141 Ca 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 47.33 46.44 1ocr h GLY 141 CO 0.00 0.77 -0.07 -2.08 0.00 0.00 0.00 176.54 175.15 1ocr h VAL 142 N 0.39 1.45 -0.42 4.60 2.07 -1.03 -3.06 116.25 120.25 1ocr h VAL 142 Ca -0.04 -1.45 -0.05 0.00 0.82 0.00 0.00 66.70 65.98 1ocr h VAL 142 Cb 1.33 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 33.43 1ocr h VAL 142 CO 0.14 0.39 0.05 0.77 0.02 0.00 0.00 177.57 178.94 1ocr h SER 143 N -0.45 0.61 0.36 0.57 4.64 -1.30 -1.65 113.55 116.33 1ocr h SER 143 Ca -0.00 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.14 1ocr h SER 143 Cb 0.67 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1ocr h SER 143 CO 0.02 0.65 -0.29 -0.29 -0.87 0.00 0.00 176.83 176.04 1ocr h ILE 144 N 0.62 1.11 -0.27 0.95 2.10 -1.49 -0.60 117.51 119.93 1ocr h ILE 144 Ca 0.14 -1.05 -0.15 0.00 1.08 0.00 0.00 64.86 64.88 1ocr h ILE 144 Cb 0.32 1.58 -0.01 0.00 -1.09 0.00 0.00 36.82 37.62 1ocr h ILE 144 CO 0.01 0.29 -0.42 0.74 -1.08 0.00 0.00 178.15 177.68 1ocr h THR 145 N 0.00 1.29 -0.54 2.19 2.02 -1.21 -0.79 112.91 115.88 1ocr h THR 145 Ca -0.00 -1.60 -0.10 0.00 0.77 0.00 0.00 66.41 65.47 1ocr h THR 145 Cb 0.56 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1ocr h THR 145 CO 0.04 0.51 -0.05 -0.25 0.37 0.00 0.00 175.52 176.14 1ocr h TRP 146 N 0.55 1.05 0.07 3.16 7.01 -0.79 -2.33 115.95 124.67 1ocr h TRP 146 Ca 0.04 -0.19 0.01 0.00 2.11 0.00 0.00 58.89 60.86 1ocr h TRP 146 Cb 0.96 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.73 1ocr h TRP 146 CO 0.05 0.96 -0.12 0.00 -2.79 0.00 0.00 178.44 176.54 1ocr h ALA 147 N 1.06 -0.19 -0.58 2.65 0.00 -0.64 -0.00 119.26 121.56 1ocr h ALA 147 Ca 0.15 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.15 1ocr h ALA 147 Cb 0.58 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 1ocr h ALA 147 CO 0.04 -0.63 0.13 1.25 0.00 0.00 0.00 179.25 180.03 1ocr h HIS 148 N -0.23 0.20 -0.37 0.00 -0.00 -0.94 -0.64 115.15 113.16 1ocr h HIS 148 Ca 0.02 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.29 1ocr h HIS 148 Cb 0.25 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 1ocr h HIS 148 CO -0.14 -0.02 -0.30 0.45 -0.00 0.00 0.00 177.93 177.92 1ocr h HIS 149 N 0.26 0.93 -0.87 5.26 -0.00 -0.89 -1.63 115.15 118.21 1ocr h HIS 149 Ca 0.30 -0.24 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1ocr h HIS 149 Cb 0.44 -0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.60 1ocr h HIS 149 CO -0.24 1.00 0.55 0.77 -0.00 0.00 0.00 177.93 180.01 1ocr h SER 150 N 0.68 1.02 -0.25 2.45 0.02 -0.21 -1.70 113.55 115.56 1ocr h SER 150 Ca 0.08 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1ocr h SER 150 Cb 0.83 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1ocr h SER 150 CO 0.07 0.76 0.12 0.25 -1.14 0.00 0.00 176.83 176.89 1ocr h LEU 151 N 1.18 0.32 -1.87 5.07 5.85 -0.73 0.96 115.31 126.10 1ocr h LEU 151 Ca 0.32 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1ocr h LEU 151 Cb -0.10 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 1ocr h LEU 151 CO -0.06 0.36 -0.09 0.24 -0.34 0.00 0.00 178.44 178.54 1ocr h MET 152 N 0.26 0.00 -0.14 1.25 2.86 -0.98 0.11 114.93 118.29 1ocr h MET 152 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1ocr h MET 152 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1ocr h MET 152 CO -0.01 0.09 0.00 0.39 1.06 0.00 0.00 176.91 178.44 1ocr n GLU 153 N -3.42 2.01 -1.09 1.72 1.02 -0.67 -4.90 120.64 115.31 1ocr n GLU 153 Ca -0.01 -1.49 -0.03 0.00 -0.02 0.00 0.00 57.16 55.61 1ocr n GLU 153 Cb 0.25 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 1ocr n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ocr n GLY 154 N 1.27 0.63 3.41 0.62 0.00 0.02 -4.98 105.19 106.17 1ocr n GLY 154 Ca 0.17 -0.78 -0.44 0.00 0.00 0.00 0.00 46.02 44.97 1ocr n GLY 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ocr s ASP 155 N -2.83 6.45 0.17 1.61 -1.08 0.24 -4.91 116.67 116.32 1ocr s ASP 155 Ca 0.00 -1.79 -0.13 0.00 -0.52 0.00 0.00 52.55 50.11 1ocr s ASP 155 Cb 0.00 -2.35 0.07 0.00 -1.46 0.00 0.00 42.92 39.18 1ocr s ASP 155 CO 0.00 -1.08 1.75 -0.09 0.52 0.00 0.00 175.17 176.28 1ocr h ARG 156 N 8.91 0.82 -0.36 4.34 2.43 -1.94 -1.42 114.38 127.16 1ocr h ARG 156 Ca -0.05 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1ocr h ARG 156 Cb 1.05 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1ocr h ARG 156 CO 1.07 0.67 0.09 -0.22 -1.51 0.00 0.00 179.97 180.07 1ocr h LYS 157 N 0.77 0.57 -0.07 0.20 3.64 -1.98 -1.71 116.57 117.99 1ocr h LYS 157 Ca 0.20 -0.14 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 1ocr h LYS 157 Cb 0.12 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1ocr h LYS 157 CO -0.02 0.62 -0.67 0.45 -2.27 0.00 0.00 179.45 177.55 1ocr h HIS 158 N 0.43 0.41 -0.42 1.91 3.86 -1.95 0.32 115.15 119.70 1ocr h HIS 158 Ca 0.11 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 1ocr h HIS 158 Cb 0.30 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 1ocr h HIS 158 CO 0.02 0.89 0.15 1.98 0.86 0.00 0.00 177.93 181.82 1ocr h MET 159 N 0.22 0.64 -0.51 2.45 1.85 -1.17 0.21 114.93 118.63 1ocr h MET 159 Ca -0.02 -0.13 -0.09 0.00 -0.61 0.00 0.00 59.70 58.85 1ocr h MET 159 Cb 1.22 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 33.13 1ocr h MET 159 CO 0.11 0.62 -0.04 -0.07 -0.40 0.00 0.00 176.91 177.13 1ocr h LEU 160 N 0.53 0.87 0.11 3.39 -0.00 -1.07 -0.39 115.31 118.75 1ocr h LEU 160 Ca 0.14 -0.24 -0.01 0.00 -0.00 0.00 0.00 57.88 57.77 1ocr h LEU 160 Cb 0.23 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1ocr h LEU 160 CO -0.01 0.96 -0.05 -0.61 -0.00 0.00 0.00 178.44 178.73 1ocr h GLN 161 N 0.82 -0.14 -0.89 1.13 4.15 -0.44 -1.06 115.11 118.68 1ocr h GLN 161 Ca 0.15 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 1ocr h GLN 161 Cb 0.54 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 1ocr h GLN 161 CO 0.03 0.15 0.50 0.00 -1.93 0.00 0.00 178.83 177.58 1ocr h ALA 162 N 0.41 1.21 -0.38 3.38 0.00 -0.48 -1.63 119.26 121.76 1ocr h ALA 162 Ca -0.02 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1ocr h ALA 162 Cb 0.36 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ocr h ALA 162 CO 0.02 0.65 -0.14 1.25 0.00 0.00 0.00 179.25 181.03 1ocr h LEU 163 N 1.24 0.69 -0.32 0.00 6.46 -1.05 -2.04 115.31 120.28 1ocr h LEU 163 Ca 0.31 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 1ocr h LEU 163 Cb 0.01 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 1ocr h LEU 163 CO -0.05 0.85 0.09 0.15 -0.62 0.00 0.00 178.44 178.86 1ocr h PHE 164 N 0.63 0.52 -0.49 1.25 3.57 -0.30 -1.97 116.94 120.14 1ocr h PHE 164 Ca 0.10 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1ocr h PHE 164 Cb 0.60 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1ocr h PHE 164 CO 0.03 0.53 0.32 0.82 -2.23 0.00 0.00 178.31 177.78 1ocr h ILE 165 N 0.36 1.13 -0.56 1.41 2.04 -1.14 -0.56 117.51 120.18 1ocr h ILE 165 Ca 0.10 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.79 1ocr h ILE 165 Cb 0.26 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 1ocr h ILE 165 CO -0.00 0.12 0.29 0.74 0.00 0.00 0.00 178.15 179.30 1ocr h THR 166 N 0.66 0.95 -0.13 -0.27 2.02 -1.22 -0.74 112.91 114.19 1ocr h THR 166 Ca 0.18 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1ocr h THR 166 Cb -0.08 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1ocr h THR 166 CO -0.04 0.10 0.04 0.40 0.37 0.00 0.00 175.52 176.39 1ocr h ILE 167 N 0.55 1.18 -0.25 3.11 2.04 -0.89 -1.42 117.51 121.84 1ocr h ILE 167 Ca 0.25 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1ocr h ILE 167 Cb 0.16 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1ocr h ILE 167 CO -0.17 0.17 0.05 0.71 0.00 0.00 0.00 178.15 178.91 1ocr h THR 168 N 0.02 1.13 -0.51 -0.27 1.35 -0.69 0.65 112.91 114.59 1ocr h THR 168 Ca 0.04 -0.45 -0.09 0.00 -0.55 0.00 0.00 66.41 65.36 1ocr h THR 168 Cb 0.23 0.88 -0.02 0.00 -1.73 0.00 0.00 68.15 67.52 1ocr h THR 168 CO -0.00 0.16 -0.05 -0.07 -0.25 0.00 0.00 175.52 175.31 1ocr h LEU 169 N 0.35 0.87 -0.42 3.87 3.38 -0.78 0.34 115.31 122.92 1ocr h LEU 169 Ca 0.09 -0.25 -0.17 0.00 0.09 0.00 0.00 57.88 57.64 1ocr h LEU 169 Cb 0.15 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1ocr h LEU 169 CO -0.00 0.96 -0.54 1.23 0.09 0.00 0.00 178.44 180.18 1ocr h GLY 170 N 0.98 0.78 0.93 0.83 0.00 -0.09 -1.50 103.07 105.01 1ocr h GLY 170 Ca 0.14 -0.90 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 1ocr h GLY 170 CO 0.03 0.81 0.11 -2.08 0.00 0.00 0.00 176.54 175.41 1ocr h VAL 171 N 0.55 1.22 -0.76 4.60 2.07 -0.42 -2.27 116.25 121.24 1ocr h VAL 171 Ca 0.01 -0.74 0.10 0.00 0.82 0.00 0.00 66.70 66.90 1ocr h VAL 171 Cb 1.11 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 1ocr h VAL 171 CO 0.11 0.26 0.40 0.22 0.02 0.00 0.00 177.57 178.58 1ocr h TYR 172 N 0.49 0.71 -0.76 1.57 3.20 -0.14 -0.94 116.97 121.10 1ocr h TYR 172 Ca 0.13 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1ocr h TYR 172 Cb 0.28 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 1ocr h TYR 172 CO 0.01 0.25 0.41 0.35 -1.64 0.00 0.00 178.16 177.55 1ocr h PHE 173 N 0.65 1.05 -0.31 -3.82 3.04 -0.88 -0.93 116.94 115.75 1ocr h PHE 173 Ca 0.38 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.30 1ocr h PHE 173 Cb 0.41 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 38.57 1ocr h PHE 173 CO -0.09 0.75 0.19 1.15 -2.02 0.00 0.00 178.31 178.28 1ocr h THR 174 N 1.06 1.10 -0.17 4.41 2.02 -0.65 0.92 112.91 121.59 1ocr h THR 174 Ca 0.27 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1ocr h THR 174 Cb 0.05 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1ocr h THR 174 CO -0.04 0.10 0.10 -0.07 0.37 0.00 0.00 175.52 175.97 1ocr h LEU 175 N 0.41 0.22 -0.55 2.58 3.38 -0.97 0.11 115.31 120.48 1ocr h LEU 175 Ca 0.11 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1ocr h LEU 175 Cb -0.01 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1ocr h LEU 175 CO -0.02 0.24 0.33 -0.07 0.09 0.00 0.00 178.44 179.01 1ocr h LEU 176 N 0.18 0.53 -0.76 1.67 3.38 -0.97 -0.67 115.31 118.66 1ocr h LEU 176 Ca 0.06 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1ocr h LEU 176 Cb 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1ocr h LEU 176 CO -0.01 0.37 0.08 -0.61 0.09 0.00 0.00 178.44 178.36 1ocr h GLN 177 N 0.65 1.03 -0.60 1.13 5.75 -0.55 -0.77 115.11 121.75 1ocr h GLN 177 Ca 0.23 -0.27 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1ocr h GLN 177 Cb 0.04 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1ocr h GLN 177 CO -0.10 0.96 0.27 0.00 -2.65 0.00 0.00 178.83 177.30 1ocr h ALA 178 N 1.12 0.78 -0.40 3.38 0.00 -0.19 -1.13 119.26 122.81 1ocr h ALA 178 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ocr h ALA 178 Cb 0.44 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1ocr h ALA 178 CO 0.01 0.36 0.25 1.03 0.00 0.00 0.00 179.25 180.91 1ocr h SER 179 N 0.83 0.47 -0.93 0.00 0.87 -0.68 -2.17 113.55 111.94 1ocr h SER 179 Ca 0.20 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1ocr h SER 179 Cb 0.15 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 61.94 1ocr h SER 179 CO -0.02 0.36 0.61 -0.33 -0.53 0.00 0.00 176.83 176.92 1ocr h GLU 180 N 0.53 1.20 -0.48 2.24 4.39 -0.74 0.08 114.58 121.81 1ocr h GLU 180 Ca 0.15 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.81 1ocr h GLU 180 Cb -0.03 -0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 28.31 1ocr h GLU 180 CO -0.03 0.79 0.26 1.88 -1.16 0.00 0.00 179.01 180.75 1ocr h TYR 181 N 1.23 0.48 -0.46 4.33 -1.99 -0.77 0.32 116.97 120.12 1ocr h TYR 181 Ca 0.35 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 61.05 1ocr h TYR 181 Cb -0.10 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 38.47 1ocr h TYR 181 CO -0.01 0.25 0.11 -0.92 -0.00 0.00 0.00 178.16 177.59 1ocr h TYR 182 N 0.51 0.77 0.00 4.88 3.20 -0.69 -3.08 116.97 122.57 1ocr h TYR 182 Ca 0.20 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1ocr h TYR 182 Cb 0.08 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 1ocr h TYR 182 CO -0.09 0.71 -0.04 0.93 -1.64 0.00 0.00 178.16 178.03 1ocr h GLU 183 N 0.61 0.00 -6.71 1.82 4.39 -0.51 -3.46 114.58 110.73 1ocr h GLU 183 Ca 0.14 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.32 1ocr h GLU 183 Cb 0.33 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.05 1ocr h GLU 183 CO 0.00 0.04 0.97 0.00 -1.16 0.00 0.00 179.01 178.86 1ocr s ALA 184 N -3.51 3.87 -1.93 3.43 0.00 0.06 -4.89 121.76 118.79 1ocr s ALA 184 Ca 0.03 1.58 0.27 0.00 0.00 0.00 0.00 51.96 53.84 1ocr s ALA 184 Cb 0.08 -3.68 1.57 0.00 0.00 0.00 0.00 23.12 21.09 1ocr s ALA 184 CO 0.60 -0.94 1.95 -0.35 0.00 0.00 0.00 175.76 177.01 1ocr n PRO 185 N 3.34 0.79 -4.35 0.00 -0.04 -1.26 -4.79 135.00 128.68 1ocr n PRO 185 Ca 0.13 0.01 -0.18 0.00 -0.04 0.00 0.00 63.50 63.41 1ocr n PRO 185 Cb 0.36 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 1ocr n PRO 185 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1ocr s PHE 186 N -2.07 1.69 0.42 0.54 -0.12 -1.26 -4.89 117.98 112.29 1ocr s PHE 186 Ca 0.39 -0.71 0.04 0.00 -0.05 0.00 0.00 56.93 56.60 1ocr s PHE 186 Cb 0.18 -0.89 -0.02 0.00 -0.63 0.00 0.00 43.02 41.66 1ocr s PHE 186 CO 0.32 0.22 0.14 0.95 -0.05 0.00 0.00 175.22 176.80 1ocr s THR 187 N -3.12 0.53 0.43 -4.49 -4.23 -1.26 -5.02 115.64 98.48 1ocr s THR 187 Ca 0.25 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.99 1ocr s THR 187 Cb 0.02 -2.30 0.26 0.00 1.34 0.00 0.00 72.50 71.82 1ocr s THR 187 CO 0.08 0.00 2.04 -0.29 -0.54 0.00 0.00 174.62 175.91 1ocr h ILE 188 N 1.74 0.75 -0.12 2.99 2.10 -1.96 -1.37 117.51 121.65 1ocr h ILE 188 Ca -0.34 -0.57 0.00 0.00 1.08 0.00 0.00 64.86 65.02 1ocr h ILE 188 Cb 1.28 1.35 0.00 0.00 -1.09 0.00 0.00 36.82 38.35 1ocr h ILE 188 CO 0.55 0.14 0.00 -1.54 -1.08 0.00 0.00 178.15 176.22 1ocr n SER 189 N -3.86 0.92 -3.46 2.19 3.41 -1.26 -3.36 113.62 108.20 1ocr n SER 189 Ca -0.02 -1.73 -0.40 0.00 -0.26 0.00 0.00 58.87 56.46 1ocr n SER 189 Cb 0.24 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1ocr n SER 189 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ocr n ASP 190 N -0.11 8.14 -0.39 4.04 8.00 -0.51 -4.98 116.55 130.73 1ocr n ASP 190 Ca 0.12 -3.08 0.00 0.00 0.71 0.00 0.00 54.79 52.53 1ocr n ASP 190 Cb 0.19 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 39.91 1ocr n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ocr n GLY 191 N 1.91 -0.84 0.26 0.44 0.00 -1.26 -2.44 105.19 103.26 1ocr n GLY 191 Ca 0.64 -1.10 0.10 0.00 0.00 0.00 0.00 46.02 45.66 1ocr n GLY 191 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ocr h VAL 192 N 0.00 0.86 -0.08 1.61 3.04 -1.93 0.12 116.25 119.87 1ocr h VAL 192 Ca 0.00 -0.15 -0.01 0.00 -1.01 0.00 0.00 66.70 65.53 1ocr h VAL 192 Cb 0.00 1.08 -0.00 0.00 -2.01 0.00 0.00 31.29 30.36 1ocr h VAL 192 CO 0.00 0.04 -0.01 0.22 -1.01 0.00 0.00 177.57 176.81 1ocr h TYR 193 N 0.00 0.16 0.00 3.17 5.03 -1.95 -0.92 116.97 122.45 1ocr h TYR 193 Ca -0.00 -0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.16 1ocr h TYR 193 Cb 0.08 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 1ocr h TYR 193 CO 0.00 0.44 -0.56 0.78 -1.32 0.00 0.00 178.16 177.50 1ocr h GLY 194 N -0.17 0.00 0.82 1.82 0.00 -1.11 -2.11 103.07 102.33 1ocr h GLY 194 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 1ocr h GLY 194 CO 0.01 0.00 -0.37 1.76 0.00 0.00 0.00 176.54 177.94 1ocr h SER 195 N 0.00 -0.88 -0.41 0.19 0.02 -0.80 -2.07 113.55 109.61 1ocr h SER 195 Ca -0.01 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.04 1ocr h SER 195 Cb 1.02 0.23 -0.07 0.00 0.14 0.00 0.00 62.40 63.72 1ocr h SER 195 CO 0.07 -0.52 -0.01 0.74 -1.14 0.00 0.00 176.83 175.96 1ocr h THR 196 N -1.23 0.68 -0.25 -2.27 2.02 -1.23 -1.71 112.91 108.92 1ocr h THR 196 Ca -0.11 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1ocr h THR 196 Cb 0.81 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1ocr h THR 196 CO 0.17 0.02 0.10 0.15 0.37 0.00 0.00 175.52 176.33 1ocr h PHE 197 N 0.09 0.38 0.00 3.16 3.04 -1.41 -2.77 116.94 119.43 1ocr h PHE 197 Ca 0.20 -0.03 -0.22 0.00 3.98 0.00 0.00 57.97 61.91 1ocr h PHE 197 Cb 0.29 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.65 1ocr h PHE 197 CO -0.28 0.39 -1.06 0.74 -2.02 0.00 0.00 178.31 176.08 1ocr h PHE 198 N 0.26 0.00 0.14 0.41 0.04 -1.27 -2.60 116.94 113.92 1ocr h PHE 198 Ca 0.08 -0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.55 1ocr h PHE 198 Cb 0.17 -0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.35 1ocr h PHE 198 CO -0.01 1.00 -1.28 -0.39 -0.60 0.00 0.00 178.31 177.03 1ocr h VAL 199 N 0.00 1.29 0.40 -0.55 -1.51 -1.38 -0.53 116.25 113.98 1ocr h VAL 199 Ca -0.03 -2.52 -0.02 0.00 -1.23 0.00 0.00 66.70 62.89 1ocr h VAL 199 Cb 1.79 2.75 0.00 0.00 -2.13 0.00 0.00 31.29 33.70 1ocr h VAL 199 CO 0.13 0.76 -0.19 0.00 -1.23 0.00 0.00 177.57 177.04 1ocr h ALA 200 N 0.30 -0.54 0.00 5.19 0.00 -1.60 0.99 119.26 123.59 1ocr h ALA 200 Ca -0.19 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1ocr h ALA 200 Cb 1.95 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.94 1ocr h ALA 200 CO 0.24 -0.71 -0.28 1.79 0.00 0.00 0.00 179.25 180.29 1ocr h THR 201 N -0.72 0.62 -0.22 0.00 1.35 -1.61 -2.24 112.91 110.08 1ocr h THR 201 Ca -0.06 -1.34 -0.05 0.00 -0.55 0.00 0.00 66.41 64.41 1ocr h THR 201 Cb 0.51 1.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 1ocr h THR 201 CO 0.09 0.27 -0.07 1.23 -0.25 0.00 0.00 175.52 176.80 1ocr h GLY 202 N 2.38 0.48 1.25 5.82 0.00 -0.86 0.22 103.07 112.36 1ocr h GLY 202 Ca -0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 1ocr h GLY 202 CO 0.04 0.37 -0.04 0.74 0.00 0.00 0.00 176.54 177.65 1ocr h PHE 203 N 0.16 0.97 -0.57 5.60 0.04 -0.71 0.00 116.94 122.45 1ocr h PHE 203 Ca 0.05 -0.16 -0.06 0.00 2.80 0.00 0.00 57.97 60.60 1ocr h PHE 203 Cb 0.53 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1ocr h PHE 203 CO 0.05 0.90 0.11 1.25 -0.60 0.00 0.00 178.31 180.03 1ocr h HIS 204 N 0.82 0.99 -0.92 -0.55 2.76 -1.24 -0.81 115.15 116.19 1ocr h HIS 204 Ca 0.15 -0.13 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 1ocr h HIS 204 Cb 0.54 -0.27 -0.06 0.00 1.55 0.00 0.00 27.41 29.17 1ocr h HIS 204 CO 0.03 0.85 0.60 0.78 -1.30 0.00 0.00 177.93 178.90 1ocr h GLY 205 N 0.83 1.34 1.31 5.26 0.00 0.08 0.00 103.07 111.89 1ocr h GLY 205 Ca 0.18 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 1ocr h GLY 205 CO 0.01 0.36 -0.01 -2.00 0.00 0.00 0.00 176.54 174.90 1ocr h LEU 206 N 1.12 0.81 -1.07 3.11 5.85 -0.25 -2.56 115.31 122.32 1ocr h LEU 206 Ca 0.38 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 1ocr h LEU 206 Cb 0.08 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1ocr h LEU 206 CO -0.13 0.88 -0.43 0.45 -0.34 0.00 0.00 178.44 178.87 1ocr h HIS 207 N 0.78 0.00 -0.06 1.25 3.86 0.34 -1.72 115.15 119.61 1ocr h HIS 207 Ca 0.15 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.26 1ocr h HIS 207 Cb 0.48 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1ocr h HIS 207 CO 0.03 0.43 -0.40 0.28 0.86 0.00 0.00 177.93 179.12 1ocr h VAL 208 N 0.00 1.30 -0.03 2.45 2.07 -0.70 0.15 116.25 121.49 1ocr h VAL 208 Ca -0.00 -1.44 -0.26 0.00 0.82 0.00 0.00 66.70 65.82 1ocr h VAL 208 Cb 0.83 1.71 0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1ocr h VAL 208 CO 0.06 0.42 -0.98 0.40 0.02 0.00 0.00 177.57 177.49 1ocr h ILE 209 N 0.10 1.28 -0.44 4.57 2.04 -1.19 -1.16 117.51 122.71 1ocr h ILE 209 Ca 0.01 -2.18 -0.02 0.00 1.00 0.00 0.00 64.86 63.67 1ocr h ILE 209 Cb 0.75 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 39.11 1ocr h ILE 209 CO 0.06 0.68 0.21 0.40 0.00 0.00 0.00 178.15 179.49 1ocr h ILE 210 N 0.42 1.18 -0.73 -0.67 2.04 -1.10 -1.46 117.51 117.19 1ocr h ILE 210 Ca -0.11 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 1ocr h ILE 210 Cb 1.63 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1ocr h ILE 210 CO 0.20 0.20 0.29 1.23 0.00 0.00 0.00 178.15 180.07 1ocr h GLY 211 N 0.57 1.17 0.88 5.37 0.00 -0.93 -1.74 103.07 108.38 1ocr h GLY 211 Ca 0.15 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1ocr h GLY 211 CO -0.02 0.59 0.05 1.76 0.00 0.00 0.00 176.54 178.92 1ocr h SER 212 N 1.06 0.45 0.38 0.19 0.02 -0.83 -0.68 113.55 114.14 1ocr h SER 212 Ca 0.25 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1ocr h SER 212 Cb 0.20 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1ocr h SER 212 CO -0.02 0.59 -0.38 0.71 -1.14 0.00 0.00 176.83 176.59 1ocr h THR 213 N 0.29 1.27 -0.52 -2.27 1.35 -1.11 0.28 112.91 112.19 1ocr h THR 213 Ca 0.09 -1.29 -0.03 0.00 -0.55 0.00 0.00 66.41 64.62 1ocr h THR 213 Cb 0.33 1.70 -0.02 0.00 -1.73 0.00 0.00 68.15 68.42 1ocr h THR 213 CO 0.01 0.37 0.20 0.15 -0.25 0.00 0.00 175.52 176.00 1ocr h PHE 214 N 0.00 0.80 -0.24 4.73 3.04 -0.93 0.24 116.94 124.58 1ocr h PHE 214 Ca -0.00 -0.06 -0.12 0.00 3.98 0.00 0.00 57.97 61.76 1ocr h PHE 214 Cb 0.67 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 1ocr h PHE 214 CO 0.00 0.66 -0.36 -0.07 -2.02 0.00 0.00 178.31 176.53 1ocr h LEU 215 N 0.70 0.55 -0.75 0.59 3.38 -0.20 -0.94 115.31 118.65 1ocr h LEU 215 Ca 0.17 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1ocr h LEU 215 Cb 0.21 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1ocr h LEU 215 CO -0.01 0.86 0.26 0.40 0.09 0.00 0.00 178.44 180.04 1ocr h ILE 216 N 0.45 1.26 -0.40 1.22 2.04 0.56 0.14 117.51 122.78 1ocr h ILE 216 Ca 0.05 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 1ocr h ILE 216 Cb 0.83 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1ocr h ILE 216 CO 0.07 0.35 0.25 0.58 0.00 0.00 0.00 178.15 179.39 1ocr h VAL 217 N 1.10 1.12 -0.32 1.67 2.07 0.05 0.33 116.25 122.26 1ocr h VAL 217 Ca 0.24 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1ocr h VAL 217 Cb 0.27 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1ocr h VAL 217 CO -0.01 0.12 0.20 0.00 0.02 0.00 0.00 177.57 177.89 1ocr h PHE 219 N 0.44 -0.51 -0.80 0.00 3.57 0.14 -1.44 116.94 118.34 1ocr h PHE 219 Ca 0.12 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1ocr h PHE 219 Cb -0.02 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 1ocr h PHE 219 CO 0.00 -0.30 0.35 0.74 -2.23 0.00 0.00 178.31 176.87 1ocr h PHE 220 N -0.57 1.20 -0.31 0.41 0.04 -0.99 0.07 116.94 116.79 1ocr h PHE 220 Ca -0.06 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.63 1ocr h PHE 220 Cb 0.43 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1ocr h PHE 220 CO -0.04 0.89 0.18 0.00 -0.60 0.00 0.00 178.31 178.73 1ocr h ARG 221 N 1.16 0.42 -0.14 1.51 3.08 -1.07 -0.94 114.38 118.40 1ocr h ARG 221 Ca 0.27 -0.03 -0.23 0.00 0.07 0.00 0.00 59.98 60.06 1ocr h ARG 221 Cb 0.18 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.15 1ocr h ARG 221 CO -0.03 0.30 -0.79 0.37 -1.07 0.00 0.00 179.97 178.75 1ocr h GLN 222 N 0.43 0.79 -0.76 0.04 5.75 -0.11 -1.14 115.11 120.10 1ocr h GLN 222 Ca 0.11 -0.66 0.12 0.00 -0.15 0.00 0.00 58.65 58.08 1ocr h GLN 222 Cb 0.00 0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 1ocr h GLN 222 CO -0.02 1.26 0.50 -0.07 -2.65 0.00 0.00 178.83 177.85 1ocr h LEU 223 N 0.52 0.52 -2.80 -2.39 3.38 0.29 -0.82 115.31 114.01 1ocr h LEU 223 Ca -0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1ocr h LEU 223 Cb 1.43 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 1ocr h LEU 223 CO 0.16 0.29 0.02 0.29 0.09 0.00 0.00 178.44 179.29 1ocr n LYS 224 N -4.50 3.65 -1.51 1.13 5.02 -0.70 -4.93 118.16 116.32 1ocr n LYS 224 Ca 0.14 -2.19 -0.18 0.00 -2.02 0.00 0.00 58.31 54.06 1ocr n LYS 224 Cb 0.42 -2.03 -0.08 0.00 -0.02 0.00 0.00 35.03 33.33 1ocr n LYS 224 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1ocr n PHE 225 N 0.39 -0.01 0.02 2.13 3.01 -0.31 -4.87 117.46 117.81 1ocr n PHE 225 Ca 0.20 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.75 1ocr n PHE 225 Cb 0.93 -3.23 0.51 0.00 -0.01 0.00 0.00 39.48 37.68 1ocr n PHE 225 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ocr h HIS 226 N 0.00 0.35 -3.27 1.38 3.86 -1.44 -3.43 115.15 112.61 1ocr h HIS 226 Ca -0.36 0.01 -0.57 0.00 -1.16 0.00 0.00 60.37 58.29 1ocr h HIS 226 Cb 1.29 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 29.60 1ocr h HIS 226 CO 0.59 0.20 -0.02 -0.06 0.86 0.00 0.00 177.93 179.49 1ocr s PHE 227 N -5.34 3.76 0.30 2.45 0.08 -1.26 -4.97 117.98 112.99 1ocr s PHE 227 Ca -0.07 1.25 0.08 0.00 0.12 0.00 0.00 56.93 58.31 1ocr s PHE 227 Cb 0.18 -2.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 1ocr s PHE 227 CO 0.73 0.50 0.19 0.95 -0.10 0.00 0.00 175.22 177.48 1ocr s THR 228 N -0.77 3.75 -0.23 0.64 -4.23 -1.04 -4.99 115.64 108.78 1ocr s THR 228 Ca 0.30 -1.52 0.19 0.00 -1.18 0.00 0.00 61.69 59.48 1ocr s THR 228 Cb -0.19 -3.17 0.19 0.00 1.34 0.00 0.00 72.50 70.67 1ocr s THR 228 CO 0.18 -0.27 1.58 -1.54 -0.54 0.00 0.00 174.62 174.04 1ocr n SER 229 N -1.19 0.50 -0.00 3.99 3.41 -1.26 -2.63 113.62 116.44 1ocr n SER 229 Ca -0.05 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1ocr n SER 229 Cb 0.59 -0.78 -0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1ocr n SER 229 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ocr n ASN 230 N -2.19 4.07 -3.99 4.04 5.03 -1.26 -4.42 115.26 116.55 1ocr n ASN 230 Ca -0.01 -0.09 -0.31 0.00 0.87 0.00 0.00 54.58 55.04 1ocr n ASN 230 Cb 0.06 1.01 -0.15 0.00 -1.02 0.00 0.00 39.78 39.68 1ocr n ASN 230 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1ocr s HIS 231 N -1.85 3.04 -0.39 3.10 2.46 -1.08 -4.93 115.29 115.65 1ocr s HIS 231 Ca -0.00 -2.34 0.10 0.00 0.47 0.00 0.00 55.06 53.30 1ocr s HIS 231 Cb 0.00 -2.13 0.40 0.00 -0.13 0.00 0.00 32.58 30.71 1ocr s HIS 231 CO 0.01 -0.87 1.27 -2.39 -2.47 0.00 0.00 174.74 170.29 1ocr n HIS 232 N 4.48 -1.85 -0.23 3.88 1.44 -1.26 -2.49 115.22 119.19 1ocr n HIS 232 Ca -0.07 -2.10 0.06 0.00 -2.01 0.00 0.00 57.72 53.60 1ocr n HIS 232 Cb 0.43 1.25 0.32 0.00 0.12 0.00 0.00 29.99 32.10 1ocr n HIS 232 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 1ocr h PHE 233 N 2.24 0.86 -0.87 -1.40 3.57 -1.97 -0.88 116.94 118.49 1ocr h PHE 233 Ca -0.23 0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.44 1ocr h PHE 233 Cb 1.26 -0.28 -0.07 0.00 2.79 0.00 0.00 35.95 39.65 1ocr h PHE 233 CO 0.21 0.44 0.57 0.78 -2.23 0.00 0.00 178.31 178.07 1ocr h GLY 234 N 0.84 1.08 0.89 2.40 0.00 -1.99 -0.61 103.07 105.67 1ocr h GLY 234 Ca 0.35 -0.26 -0.18 0.00 0.00 0.00 0.00 47.33 47.24 1ocr h GLY 234 CO -0.13 0.06 -0.71 -2.75 0.00 0.00 0.00 176.54 173.01 1ocr h PHE 235 N 0.59 0.72 -0.44 5.60 3.57 -1.59 -2.03 116.94 123.36 1ocr h PHE 235 Ca 0.44 -0.39 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1ocr h PHE 235 Cb 0.83 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1ocr h PHE 235 CO -0.00 1.22 0.26 0.93 -2.23 0.00 0.00 178.31 178.48 1ocr h GLU 236 N 0.02 0.51 -0.60 1.11 5.08 -0.91 0.14 114.58 119.93 1ocr h GLU 236 Ca -0.09 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1ocr h GLU 236 Cb 1.41 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 1ocr h GLU 236 CO 0.14 0.34 0.25 0.00 -1.00 0.00 0.00 179.01 178.73 1ocr h ALA 237 N 1.20 0.79 -0.92 3.43 0.00 -1.21 0.34 119.26 122.89 1ocr h ALA 237 Ca 0.18 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1ocr h ALA 237 Cb 0.02 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 1ocr h ALA 237 CO -0.08 0.40 0.56 0.78 0.00 0.00 0.00 179.25 180.90 1ocr h GLY 238 N 0.84 1.44 0.95 0.00 0.00 -0.65 -0.66 103.07 105.00 1ocr h GLY 238 Ca 0.20 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 1ocr h GLY 238 CO -0.02 0.19 -0.45 0.00 0.00 0.00 0.00 176.54 176.26 1ocr h ALA 239 N 1.47 0.30 -0.46 3.60 0.00 0.09 -1.30 119.26 122.96 1ocr h ALA 239 Ca 0.43 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ocr h ALA 239 Cb 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ocr h ALA 239 CO -0.23 0.44 0.23 -1.49 0.00 0.00 0.00 179.25 178.20 1ocr h TRP 240 N 0.30 0.64 -0.92 0.00 6.55 -0.58 -0.85 115.95 121.08 1ocr h TRP 240 Ca -0.01 -0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.81 1ocr h TRP 240 Cb 1.07 -0.20 -0.04 0.00 -0.86 0.00 0.00 29.16 29.12 1ocr h TRP 240 CO 0.09 0.50 0.57 -0.92 -1.05 0.00 0.00 178.44 177.63 1ocr h TYR 241 N 0.60 1.20 -0.73 0.49 3.20 -1.05 -1.39 116.97 119.29 1ocr h TYR 241 Ca 0.16 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 1ocr h TYR 241 Cb 0.09 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 1ocr h TYR 241 CO -0.01 0.79 0.25 2.35 -1.64 0.00 0.00 178.16 179.90 1ocr h TRP 242 N 1.27 1.15 -0.18 -3.82 2.91 -0.60 -1.10 115.95 115.57 1ocr h TRP 242 Ca 0.33 -0.11 -0.09 0.00 1.13 0.00 0.00 58.89 60.16 1ocr h TRP 242 Cb -0.07 -0.34 -0.01 0.00 -0.51 0.00 0.00 29.16 28.23 1ocr h TRP 242 CO 0.00 0.90 -0.26 0.45 -1.03 0.00 0.00 178.44 178.50 1ocr h HIS 243 N 1.07 0.38 0.17 2.65 3.86 -0.60 -1.26 115.15 121.42 1ocr h HIS 243 Ca 0.24 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1ocr h HIS 243 Cb 0.27 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1ocr h HIS 243 CO 0.02 0.58 -0.08 0.35 0.86 0.00 0.00 177.93 179.67 1ocr h PHE 244 N 0.31 -0.21 -0.91 2.45 3.57 -0.68 0.67 116.94 122.14 1ocr h PHE 244 Ca 0.05 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.66 1ocr h PHE 244 Cb 0.63 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 1ocr h PHE 244 CO 0.01 -0.04 0.58 0.28 -2.23 0.00 0.00 178.31 176.91 1ocr h VAL 245 N -0.33 0.91 -0.06 1.41 2.07 -0.86 -0.19 116.25 119.21 1ocr h VAL 245 Ca -0.02 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1ocr h VAL 245 Cb 0.26 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1ocr h VAL 245 CO 0.04 0.15 0.01 -0.78 0.02 0.00 0.00 177.57 177.01 1ocr h ASP 246 N 0.84 0.09 -0.36 0.57 1.82 -0.80 -2.45 116.42 116.12 1ocr h ASP 246 Ca 0.44 -0.25 -0.04 0.00 -0.39 0.00 0.00 57.03 56.79 1ocr h ASP 246 Cb 0.52 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.50 1ocr h ASP 246 CO -0.20 0.31 0.08 0.58 -1.61 0.00 0.00 179.24 178.41 1ocr h VAL 247 N -0.14 1.23 -0.96 2.25 2.07 0.27 -2.38 116.25 118.59 1ocr h VAL 247 Ca 0.02 -0.78 0.10 0.00 0.82 0.00 0.00 66.70 66.86 1ocr h VAL 247 Cb 0.26 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 1ocr h VAL 247 CO 0.00 0.27 0.60 0.58 0.02 0.00 0.00 177.57 179.04 1ocr h VAL 248 N 0.43 0.96 -0.48 2.57 2.07 -1.06 -1.13 116.25 119.62 1ocr h VAL 248 Ca 0.11 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1ocr h VAL 248 Cb 0.32 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1ocr h VAL 248 CO 0.00 0.18 0.30 -0.25 0.02 0.00 0.00 177.57 177.82 1ocr h TRP 249 N 1.00 0.63 -0.94 1.57 2.91 -1.00 -1.68 115.95 118.43 1ocr h TRP 249 Ca 0.46 0.00 0.15 0.00 1.13 0.00 0.00 58.89 60.63 1ocr h TRP 249 Cb 0.37 -0.21 -0.08 0.00 -0.51 0.00 0.00 29.16 28.74 1ocr h TRP 249 CO -0.02 0.43 0.60 -0.07 -1.03 0.00 0.00 178.44 178.36 1ocr h LEU 250 N 0.65 0.73 -0.37 0.65 3.38 -0.73 0.92 115.31 120.53 1ocr h LEU 250 Ca 0.17 0.05 -0.18 0.00 0.09 0.00 0.00 57.88 58.02 1ocr h LEU 250 Cb -0.02 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1ocr h LEU 250 CO -0.03 0.35 -0.57 -0.26 0.09 0.00 0.00 178.44 178.02 1ocr h PHE 251 N 0.77 0.93 0.25 1.13 -1.00 -0.94 -2.20 116.94 115.89 1ocr h PHE 251 Ca 0.49 -0.34 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 1ocr h PHE 251 Cb 0.72 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 40.11 1ocr h PHE 251 CO -0.00 1.13 -0.12 -0.07 -1.61 0.00 0.00 178.31 177.64 1ocr h LEU 252 N 0.56 -0.28 -0.21 1.54 3.38 -0.42 0.15 115.31 120.03 1ocr h LEU 252 Ca 0.01 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1ocr h LEU 252 Cb 1.15 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 1ocr h LEU 252 CO 0.12 -0.15 -0.35 0.22 0.09 0.00 0.00 178.44 178.38 1ocr h TYR 253 N -0.40 -0.96 -0.28 1.13 3.20 -0.83 0.22 116.97 119.05 1ocr h TYR 253 Ca -0.03 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1ocr h TYR 253 Cb 0.30 0.45 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1ocr h TYR 253 CO -0.04 -0.41 0.03 0.28 -1.64 0.00 0.00 178.16 176.38 1ocr h VAL 254 N -0.37 1.24 0.15 1.81 2.07 -1.37 0.75 116.25 120.53 1ocr h VAL 254 Ca 0.11 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1ocr h VAL 254 Cb 0.56 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1ocr h VAL 254 CO -0.42 0.27 -0.07 0.28 0.02 0.00 0.00 177.57 177.65 1ocr h SER 255 N 0.28 -0.17 0.00 0.57 0.02 -0.50 -0.04 113.55 113.71 1ocr h SER 255 Ca 0.08 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 1ocr h SER 255 Cb 0.36 0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.95 1ocr h SER 255 CO 0.01 -0.03 -0.36 0.40 -1.14 0.00 0.00 176.83 175.71 1ocr h ILE 256 N -0.38 1.51 0.16 3.27 2.04 -0.73 0.82 117.51 124.20 1ocr h ILE 256 Ca -0.02 -2.00 -0.31 0.00 1.00 0.00 0.00 64.86 63.53 1ocr h ILE 256 Cb 0.15 2.73 0.03 0.00 -0.74 0.00 0.00 36.82 38.99 1ocr h ILE 256 CO 0.03 0.56 -1.31 1.88 0.00 0.00 0.00 178.15 179.31 1ocr h TYR 257 N -0.38 0.97 0.00 1.37 -1.99 -1.25 -3.27 116.97 112.42 1ocr h TYR 257 Ca -0.05 -0.64 0.00 0.00 2.00 0.00 0.00 58.73 60.05 1ocr h TYR 257 Cb 1.11 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.77 1ocr h TYR 257 CO 0.17 1.48 0.00 1.87 -0.00 0.00 0.00 178.16 181.68 1ocr n TRP 258 N -3.75 0.00 -0.20 4.88 -0.00 0.22 -4.31 117.44 114.28 1ocr n TRP 258 Ca -0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.33 1ocr n TRP 258 Cb 1.02 -0.02 0.08 0.00 -0.00 0.00 0.00 31.31 32.39 1ocr n TRP 258 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 1ocr h TRP 259 N 0.00 0.57 0.00 5.87 7.01 -1.05 -2.67 115.95 125.68 1ocr h TRP 259 Ca 0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1ocr h TRP 259 Cb 0.00 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 26.89 1ocr h TRP 259 CO 0.00 0.26 0.00 0.41 -2.79 0.00 0.00 178.44 176.32 1ocr n GLY 260 N -1.27 0.80 0.00 2.65 0.00 0.28 -5.01 105.19 102.65 1ocr n GLY 260 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1ocr n GLY 260 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76