#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocr s THR 2 N 0.00 2.20 0.15 6.66 2.01 -1.26 -5.09 115.64 120.31 1ocr s THR 2 Ca 0.00 -1.03 -0.33 0.00 0.31 0.00 0.00 61.69 60.63 1ocr s THR 2 Cb 0.00 -1.79 -0.16 0.00 0.01 0.00 0.00 72.50 70.56 1ocr s THR 2 CO 0.00 0.58 1.09 0.00 -0.69 0.00 0.00 174.62 175.60 1ocr n ALA 3 N 2.68 -1.36 -1.81 7.40 0.00 -1.26 -4.94 120.51 121.22 1ocr n ALA 3 Ca -0.17 0.48 -0.34 0.00 0.00 0.00 0.00 53.44 53.42 1ocr n ALA 3 Cb 0.52 -1.95 -0.05 0.00 0.00 0.00 0.00 19.45 17.96 1ocr n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ocr s LEU 4 N 0.79 3.88 0.59 0.00 2.01 -1.26 -5.04 118.68 119.66 1ocr s LEU 4 Ca 0.75 1.82 -0.09 0.00 0.01 0.00 0.00 54.13 56.61 1ocr s LEU 4 Cb -0.92 -4.55 -0.03 0.00 0.01 0.00 0.00 46.19 40.71 1ocr s LEU 4 CO 0.53 -0.60 0.96 0.00 1.01 0.00 0.00 176.35 178.25 1ocr s ALA 5 N -2.08 3.18 -0.10 4.21 0.00 -1.26 -4.99 121.76 120.71 1ocr s ALA 5 Ca 0.65 -0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1ocr s ALA 5 Cb -0.13 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1ocr s ALA 5 CO 0.17 -0.65 1.26 0.21 0.00 0.00 0.00 175.76 176.75 1ocr s LYS 6 N -5.06 4.29 0.85 0.00 2.20 -1.26 -5.03 119.74 115.72 1ocr s LYS 6 Ca 0.53 1.71 -0.09 0.00 -0.36 0.00 0.00 55.97 57.76 1ocr s LYS 6 Cb -0.11 -3.66 0.16 0.00 -1.51 0.00 0.00 37.83 32.71 1ocr s LYS 6 CO 0.51 -0.59 1.17 -1.25 -0.36 0.00 0.00 175.35 174.83 1ocr s PRO 7 N 2.86 1.15 -0.03 4.03 0.04 -1.26 -5.02 135.00 136.77 1ocr s PRO 7 Ca 0.56 -0.72 -0.30 0.00 0.04 0.00 0.00 61.00 60.58 1ocr s PRO 7 Cb -0.24 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1ocr s PRO 7 CO 0.19 -1.95 1.08 -1.14 0.04 0.00 0.00 177.00 175.22 1ocr s GLN 8 N -5.54 4.45 0.00 4.56 2.00 -1.26 -4.93 119.66 118.95 1ocr s GLN 8 Ca 0.70 1.53 0.00 0.00 -2.00 0.00 0.00 55.36 55.60 1ocr s GLN 8 Cb -0.05 -3.48 0.00 0.00 0.80 0.00 0.00 33.01 30.28 1ocr s GLN 8 CO 0.49 -0.25 0.12 -1.33 -0.50 0.00 0.00 175.29 173.82 1ocr n MET 9 N 4.49 4.36 -4.28 1.67 2.81 -1.26 -4.99 117.12 119.91 1ocr n MET 9 Ca 0.08 -0.12 -0.29 0.00 -1.81 0.00 0.00 57.70 55.56 1ocr n MET 9 Cb 0.48 -0.58 -0.11 0.00 -0.71 0.00 0.00 33.22 32.30 1ocr n MET 9 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1ocr s ARG 10 N -0.66 1.87 -1.37 0.03 0.52 -1.26 -4.70 118.95 113.38 1ocr s ARG 10 Ca 0.00 -1.14 -0.09 0.00 -0.52 0.00 0.00 55.73 53.98 1ocr s ARG 10 Cb 0.00 -2.16 0.02 0.00 0.52 0.00 0.00 34.95 33.33 1ocr s ARG 10 CO 0.00 0.49 1.14 0.41 0.02 0.00 0.00 175.30 177.36 1ocr n GLY 11 N 0.77 -0.53 0.16 -3.53 0.00 -1.26 -4.90 105.19 95.90 1ocr n GLY 11 Ca -0.15 0.24 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 1ocr n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ocr h LEU 12 N -2.56 0.26 -0.01 0.99 3.38 -1.94 -1.11 115.31 114.31 1ocr h LEU 12 Ca -0.57 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.14 1ocr h LEU 12 Cb 1.37 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 42.05 1ocr h LEU 12 CO 0.57 0.84 -0.36 0.25 0.09 0.00 0.00 178.44 179.84 1ocr h LEU 13 N 0.16 0.34 -0.42 1.67 5.85 -1.98 -2.55 115.31 118.38 1ocr h LEU 13 Ca -0.01 -0.75 0.02 0.00 0.84 0.00 0.00 57.88 57.97 1ocr h LEU 13 Cb 1.19 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1ocr h LEU 13 CO 0.10 1.04 0.25 0.00 -0.34 0.00 0.00 178.44 179.49 1ocr h ALA 14 N 0.30 0.53 -0.79 1.25 0.00 -1.95 -0.29 119.26 118.31 1ocr h ALA 14 Ca -0.04 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.98 1ocr h ALA 14 Cb 1.08 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 1ocr h ALA 14 CO 0.07 -0.07 0.40 -0.09 0.00 0.00 0.00 179.25 179.56 1ocr h ARG 15 N 0.51 0.61 -0.41 0.00 2.43 -1.24 0.45 114.38 116.74 1ocr h ARG 15 Ca 0.16 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 1ocr h ARG 15 Cb 0.00 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1ocr h ARG 15 CO -0.07 0.40 -0.11 -0.09 -1.51 0.00 0.00 179.97 178.59 1ocr h ARG 16 N 0.63 0.79 0.36 0.20 2.43 -0.84 -2.97 114.38 114.99 1ocr h ARG 16 Ca 0.41 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1ocr h ARG 16 Cb 0.51 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1ocr h ARG 16 CO -0.32 0.93 -0.18 1.25 -1.51 0.00 0.00 179.97 180.14 1ocr h LEU 17 N 0.61 -0.43 -1.23 3.80 5.85 -0.16 -2.69 115.31 121.07 1ocr h LEU 17 Ca 0.10 0.02 0.32 0.00 0.84 0.00 0.00 57.88 59.15 1ocr h LEU 17 Cb 0.64 0.11 -0.12 0.00 0.37 0.00 0.00 40.66 41.67 1ocr h LEU 17 CO 0.04 -0.30 0.67 -0.09 -0.34 0.00 0.00 178.44 178.43 1ocr h ARG 18 N -0.49 0.32 0.18 1.25 2.43 -0.90 0.06 114.38 117.22 1ocr h ARG 18 Ca -0.05 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1ocr h ARG 18 Cb 0.38 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1ocr h ARG 18 CO 0.08 0.21 -0.08 0.35 -1.51 0.00 0.00 179.97 179.02 1ocr h PHE 19 N 0.33 -0.22 -0.17 2.20 3.57 -1.35 -3.36 116.94 117.94 1ocr h PHE 19 Ca 0.69 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 62.23 1ocr h PHE 19 Cb 1.76 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.56 1ocr h PHE 19 CO -0.01 -0.14 0.13 0.45 -2.23 0.00 0.00 178.31 176.52 1ocr h HIS 20 N -0.74 0.00 -0.16 0.41 3.86 -1.13 -1.07 115.15 116.31 1ocr h HIS 20 Ca -0.02 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.23 1ocr h HIS 20 Cb 0.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1ocr h HIS 20 CO 0.02 0.00 0.14 0.97 0.86 0.00 0.00 177.93 179.92 1ocr h ILE 21 N 0.00 0.70 0.02 2.45 6.09 -1.14 0.47 117.51 126.10 1ocr h ILE 21 Ca 0.08 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.57 1ocr h ILE 21 Cb 0.34 0.89 0.00 0.00 0.47 0.00 0.00 36.82 38.53 1ocr h ILE 21 CO -0.00 0.00 -0.01 0.58 -3.07 0.00 0.00 178.15 175.65 1ocr h VAL 22 N 0.00 1.48 -0.09 2.19 2.07 -1.35 -2.65 116.25 117.90 1ocr h VAL 22 Ca 0.08 -1.61 0.03 0.00 0.82 0.00 0.00 66.70 66.02 1ocr h VAL 22 Cb 0.36 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1ocr h VAL 22 CO -0.00 0.41 0.08 1.23 0.02 0.00 0.00 177.57 179.31 1ocr h GLY 23 N -0.73 0.00 1.01 2.17 0.00 -0.94 -0.33 103.07 104.26 1ocr h GLY 23 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 1ocr h GLY 23 CO 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 176.54 176.27 1ocr h ALA 24 N 1.92 0.49 -0.42 3.60 0.00 -0.06 -1.84 119.26 122.96 1ocr h ALA 24 Ca 0.04 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 1ocr h ALA 24 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ocr h ALA 24 CO -0.00 0.50 -0.29 0.74 0.00 0.00 0.00 179.25 180.20 1ocr h PHE 25 N 0.56 1.05 -0.46 0.00 0.04 -0.82 -1.12 116.94 116.19 1ocr h PHE 25 Ca 0.06 -0.28 0.04 0.00 2.80 0.00 0.00 57.97 60.59 1ocr h PHE 25 Cb 0.84 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.72 1ocr h PHE 25 CO 0.07 1.08 0.24 0.52 -0.60 0.00 0.00 178.31 179.61 1ocr h MET 26 N 0.77 0.46 -0.29 1.51 2.86 -0.99 -0.83 114.93 118.42 1ocr h MET 26 Ca 0.09 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1ocr h MET 26 Cb 0.85 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1ocr h MET 26 CO 0.08 0.30 -0.02 0.28 1.06 0.00 0.00 176.91 178.61 1ocr h VAL 27 N 0.47 1.27 -0.28 -2.22 2.07 -1.25 -1.68 116.25 114.62 1ocr h VAL 27 Ca 0.20 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.76 1ocr h VAL 27 Cb 0.09 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1ocr h VAL 27 CO -0.13 0.32 0.10 0.28 0.02 0.00 0.00 177.57 178.16 1ocr h SER 28 N 0.30 0.12 1.01 0.57 0.02 -0.69 -1.61 113.55 113.28 1ocr h SER 28 Ca 0.08 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1ocr h SER 28 Cb 0.47 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1ocr h SER 28 CO 0.02 0.10 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.73 1ocr h LEU 29 N 0.23 0.00 0.68 5.07 3.38 -1.17 -2.59 115.31 120.92 1ocr h LEU 29 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1ocr h LEU 29 Cb 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1ocr h LEU 29 CO -0.12 0.01 -0.33 1.23 0.09 0.00 0.00 178.44 179.32 1ocr h GLY 30 N 2.04 -0.95 0.30 0.83 0.00 -0.32 0.35 103.07 105.30 1ocr h GLY 30 Ca -0.00 0.35 0.13 0.00 0.00 0.00 0.00 47.33 47.81 1ocr h GLY 30 CO 0.00 -0.35 0.37 0.74 0.00 0.00 0.00 176.54 177.31 1ocr h PHE 31 N -1.16 0.65 0.30 5.60 -1.00 -1.43 0.20 116.94 120.11 1ocr h PHE 31 Ca -0.09 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.71 1ocr h PHE 31 Cb 0.70 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 40.09 1ocr h PHE 31 CO 0.02 0.17 -0.14 0.00 -1.61 0.00 0.00 178.31 176.74 1ocr h ALA 32 N 1.51 -0.40 -0.10 2.45 0.00 -1.41 -0.99 119.26 120.32 1ocr h ALA 32 Ca 0.41 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1ocr h ALA 32 Cb 0.54 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1ocr h ALA 32 CO -0.34 -0.69 -0.21 1.79 0.00 0.00 0.00 179.25 179.80 1ocr h THR 33 N -0.48 1.20 -0.25 0.00 1.35 -0.28 -1.26 112.91 113.19 1ocr h THR 33 Ca -0.04 -0.93 -0.04 0.00 -0.55 0.00 0.00 66.41 64.85 1ocr h THR 33 Cb 0.36 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 1ocr h THR 33 CO 0.07 0.28 0.02 0.15 -0.25 0.00 0.00 175.52 175.78 1ocr h PHE 34 N 0.15 0.47 -0.83 4.73 3.57 -0.44 -1.33 116.94 123.25 1ocr h PHE 34 Ca 0.03 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1ocr h PHE 34 Cb 0.47 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1ocr h PHE 34 CO 0.00 0.58 0.52 -0.92 -2.23 0.00 0.00 178.31 176.27 1ocr h TYR 35 N 0.22 1.07 0.39 0.41 3.20 -0.68 0.26 116.97 121.83 1ocr h TYR 35 Ca 0.07 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1ocr h TYR 35 Cb 0.38 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1ocr h TYR 35 CO 0.03 0.69 -0.27 -0.22 -1.64 0.00 0.00 178.16 176.75 1ocr h LYS 36 N 1.14 -0.61 -0.27 1.82 3.64 -0.71 0.28 116.57 121.86 1ocr h LYS 36 Ca 0.30 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.67 1ocr h LYS 36 Cb -0.09 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1ocr h LYS 36 CO -0.06 -0.40 -0.03 0.74 -2.27 0.00 0.00 179.45 177.42 1ocr h PHE 37 N -0.63 0.56 0.00 1.91 0.04 -1.13 0.48 116.94 118.16 1ocr h PHE 37 Ca -0.05 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1ocr h PHE 37 Cb 0.52 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1ocr h PHE 37 CO -0.06 0.68 0.00 0.00 -0.60 0.00 0.00 178.31 178.33 1ocr h ALA 38 N 0.80 1.00 0.00 2.45 0.00 -1.03 -3.26 119.26 119.21 1ocr h ALA 38 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ocr h ALA 38 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ocr h ALA 38 CO 0.02 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.55 1ocr n VAL 39 N -2.75 0.77 0.28 0.00 0.31 0.01 -4.65 118.33 112.30 1ocr n VAL 39 Ca 0.02 0.26 -0.14 0.00 -0.01 0.00 0.00 64.34 64.47 1ocr n VAL 39 Cb 0.32 -1.19 -0.07 0.00 -0.91 0.00 0.00 33.84 31.99 1ocr n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ocr h ALA 40 N 0.00 -1.13 -0.64 3.52 0.00 0.65 -1.78 119.26 119.87 1ocr h ALA 40 Ca 0.00 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.85 1ocr h ALA 40 Cb 0.00 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 1ocr h ALA 40 CO 0.00 -1.12 0.21 0.93 0.00 0.00 0.00 179.25 179.28 1ocr h GLU 41 N -0.82 0.36 -0.79 0.00 4.39 -0.91 -0.59 114.58 116.22 1ocr h GLU 41 Ca -0.07 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.71 1ocr h GLU 41 Cb 0.67 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.16 1ocr h GLU 41 CO 0.05 0.24 0.43 -0.22 -1.16 0.00 0.00 179.01 178.34 1ocr h LYS 42 N 0.37 0.68 -0.05 2.33 3.64 -1.57 -2.11 116.57 119.85 1ocr h LYS 42 Ca 0.34 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.50 1ocr h LYS 42 Cb 0.47 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1ocr h LYS 42 CO -0.36 0.45 -0.72 -0.09 -2.27 0.00 0.00 179.45 176.45 1ocr h ARG 43 N 0.70 0.26 -0.22 1.90 2.43 -0.24 -0.13 114.38 119.08 1ocr h ARG 43 Ca 0.39 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1ocr h ARG 43 Cb 0.41 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1ocr h ARG 43 CO -0.27 0.87 -0.14 0.87 -1.51 0.00 0.00 179.97 179.79 1ocr h LYS 44 N 0.17 0.36 -0.01 0.20 1.57 -0.79 -2.52 116.57 115.55 1ocr h LYS 44 Ca -0.02 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 1ocr h LYS 44 Cb 1.28 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.56 1ocr h LYS 44 CO 0.11 0.50 -0.33 -0.22 -0.57 0.00 0.00 179.45 178.95 1ocr h LYS 45 N 0.34 0.24 -0.86 3.15 3.64 -1.16 -2.77 116.57 119.16 1ocr h LYS 45 Ca 0.07 -0.25 0.17 0.00 -1.27 0.00 0.00 60.65 59.37 1ocr h LYS 45 Cb 0.45 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.23 1ocr h LYS 45 CO 0.03 0.95 0.41 0.00 -2.27 0.00 0.00 179.45 178.57 1ocr h ALA 46 N 0.30 1.31 -0.05 5.00 0.00 -0.78 0.78 119.26 125.81 1ocr h ALA 46 Ca -0.04 0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 1ocr h ALA 46 Cb 1.06 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ocr h ALA 46 CO 0.07 -0.17 -0.81 1.88 0.00 0.00 0.00 179.25 180.22 1ocr h TYR 47 N 0.54 0.54 -0.40 0.00 -1.99 -1.51 -2.37 116.97 111.78 1ocr h TYR 47 Ca 0.49 -0.26 -0.12 0.00 2.00 0.00 0.00 58.73 60.84 1ocr h TYR 47 Cb 0.77 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.42 1ocr h TYR 47 CO -0.11 1.04 -0.22 0.00 -0.00 0.00 0.00 178.16 178.88 1ocr h ALA 48 N 0.88 0.57 -0.40 3.88 0.00 -0.84 -2.46 119.26 120.89 1ocr h ALA 48 Ca -0.05 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1ocr h ALA 48 Cb 1.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1ocr h ALA 48 CO 0.14 0.54 -0.18 -0.44 0.00 0.00 0.00 179.25 179.31 1ocr h ASP 49 N 0.67 0.85 0.45 0.00 3.32 -0.98 -2.75 116.42 117.98 1ocr h ASP 49 Ca 0.09 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 1ocr h ASP 49 Cb 0.78 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1ocr h ASP 49 CO 0.06 1.06 -0.21 0.15 -1.72 0.00 0.00 179.24 178.58 1ocr h PHE 50 N 0.64 -0.55 0.00 4.55 3.04 -1.34 -3.00 116.94 120.28 1ocr h PHE 50 Ca 0.09 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1ocr h PHE 50 Cb 0.73 0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.42 1ocr h PHE 50 CO 0.06 -0.29 0.00 0.66 -2.02 0.00 0.00 178.31 176.71 1ocr n TYR 51 N -5.31 0.00 0.02 0.41 4.01 -0.94 -3.86 117.16 111.49 1ocr n TYR 51 Ca -0.11 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.54 1ocr n TYR 51 Cb 0.27 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.23 1ocr n TYR 51 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1ocr h ARG 52 N 0.00 -0.15 -2.30 -0.72 9.65 -1.33 -3.36 114.38 116.17 1ocr h ARG 52 Ca 0.00 0.01 -0.65 0.00 -1.10 0.00 0.00 59.98 58.24 1ocr h ARG 52 Cb 0.00 0.03 -0.38 0.00 -1.39 0.00 0.00 29.97 28.23 1ocr h ARG 52 CO 0.00 0.30 -0.18 0.09 2.80 0.00 0.00 179.97 182.98 1ocr n ASN 53 N -4.85 5.16 -4.38 -3.80 5.03 -1.25 -5.03 115.26 106.15 1ocr n ASN 53 Ca -0.07 -3.65 -0.32 0.00 0.87 0.00 0.00 54.58 51.41 1ocr n ASN 53 Cb 0.25 -0.75 -0.15 0.00 -1.02 0.00 0.00 39.78 38.12 1ocr n ASN 53 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1ocr s TYR 54 N -3.52 2.63 -0.27 3.10 5.04 -1.25 -5.06 117.35 118.01 1ocr s TYR 54 Ca 0.45 -0.46 0.02 0.00 -2.44 0.00 0.00 57.07 54.63 1ocr s TYR 54 Cb 0.23 -1.67 0.07 0.00 0.35 0.00 0.00 41.96 40.95 1ocr s TYR 54 CO -0.11 -0.04 -0.02 0.34 -1.34 0.00 0.00 175.55 174.37 1ocr s ASP 55 N -0.29 4.24 0.48 4.32 -1.08 -1.26 -4.98 116.67 118.09 1ocr s ASP 55 Ca 0.01 -1.52 0.14 0.00 -0.52 0.00 0.00 52.55 50.66 1ocr s ASP 55 Cb -0.13 -1.34 1.11 0.00 -1.46 0.00 0.00 42.92 41.10 1ocr s ASP 55 CO 0.03 -0.28 2.08 0.77 0.52 0.00 0.00 175.17 178.29 1ocr h SER 56 N 7.84 0.09 -0.13 -0.34 4.64 -1.98 -1.39 113.55 122.28 1ocr h SER 56 Ca -0.14 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.05 1ocr h SER 56 Cb 1.05 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1ocr h SER 56 CO 0.46 0.12 -0.38 -0.03 -0.87 0.00 0.00 176.83 176.13 1ocr h MET 57 N 0.10 0.49 -0.15 4.77 -1.53 -1.98 0.13 114.93 116.76 1ocr h MET 57 Ca 0.03 -0.35 0.01 0.00 -3.44 0.00 0.00 59.70 55.95 1ocr h MET 57 Cb 0.09 0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.18 1ocr h MET 57 CO 0.00 0.97 0.06 -0.22 0.14 0.00 0.00 176.91 177.86 1ocr h LYS 58 N 0.09 0.14 -0.43 0.39 3.64 -1.85 0.14 116.57 118.68 1ocr h LYS 58 Ca -0.01 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1ocr h LYS 58 Cb 1.00 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1ocr h LYS 58 CO 0.08 0.09 0.22 0.22 -2.27 0.00 0.00 179.45 177.80 1ocr h ASP 59 N 0.14 0.33 0.15 4.20 3.58 -1.28 -0.13 116.42 123.41 1ocr h ASP 59 Ca 0.06 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.54 1ocr h ASP 59 Cb 0.03 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 1ocr h ASP 59 CO -0.06 0.24 -0.20 0.15 -2.88 0.00 0.00 179.24 176.49 1ocr h PHE 60 N 0.45 -0.52 -0.39 0.28 3.57 0.03 -1.56 116.94 118.81 1ocr h PHE 60 Ca 0.18 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.77 1ocr h PHE 60 Cb 0.08 0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.95 1ocr h PHE 60 CO -0.09 -0.29 -0.06 0.93 -2.23 0.00 0.00 178.31 176.56 1ocr h GLU 61 N -0.40 0.04 -0.95 1.11 4.39 -0.21 0.44 114.58 118.99 1ocr h GLU 61 Ca 0.01 -0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.82 1ocr h GLU 61 Cb 0.40 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.96 1ocr h GLU 61 CO -0.08 0.02 0.58 0.93 -1.16 0.00 0.00 179.01 179.31 1ocr h GLU 62 N 0.04 0.92 -0.35 2.33 5.08 -0.73 0.31 114.58 122.18 1ocr h GLU 62 Ca 0.19 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.33 1ocr h GLU 62 Cb 0.28 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1ocr h GLU 62 CO -0.37 0.61 -0.43 0.52 -1.00 0.00 0.00 179.01 178.34 1ocr h MET 63 N 0.95 0.90 0.04 2.33 2.86 0.03 -2.74 114.93 119.31 1ocr h MET 63 Ca 0.46 -0.50 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1ocr h MET 63 Cb 0.42 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1ocr h MET 63 CO -0.25 1.15 -0.02 -0.09 1.06 0.00 0.00 176.91 178.76 1ocr h ARG 64 N 0.73 -0.05 0.00 1.72 2.43 0.10 -2.80 114.38 116.51 1ocr h ARG 64 Ca 0.05 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1ocr h ARG 64 Cb 1.02 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1ocr h ARG 64 CO 0.10 0.00 -0.04 0.87 -1.51 0.00 0.00 179.97 179.39 1ocr h LYS 65 N -0.09 0.00 0.00 0.20 1.57 -0.96 -1.07 116.57 116.21 1ocr h LYS 65 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ocr h LYS 65 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1ocr h LYS 65 CO 0.01 0.04 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 1ocr n ALA 66 N -2.39 2.14 -1.75 3.86 0.00 -1.04 -4.92 120.51 116.42 1ocr n ALA 66 Ca -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.31 1ocr n ALA 66 Cb 0.13 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.18 1ocr n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ocr n GLY 67 N 1.04 0.36 0.13 0.00 0.00 -0.41 -4.97 105.19 101.34 1ocr n GLY 67 Ca 0.06 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 45.00 1ocr n GLY 67 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1ocr h ILE 68 N 0.00 1.27 -4.22 -0.61 3.07 -1.74 -3.47 117.51 111.81 1ocr h ILE 68 Ca -0.04 -2.78 -0.50 0.00 1.55 0.00 0.00 64.86 63.09 1ocr h ILE 68 Cb 0.76 2.95 0.09 0.00 -0.27 0.00 0.00 36.82 40.35 1ocr h ILE 68 CO 0.05 0.84 0.37 -0.36 -1.05 0.00 0.00 178.15 178.00 1ocr s PHE 69 N -2.61 2.82 -1.05 0.16 0.08 -1.26 -4.98 117.98 111.14 1ocr s PHE 69 Ca -0.09 1.52 0.12 0.00 0.12 0.00 0.00 56.93 58.61 1ocr s PHE 69 Cb 0.05 -3.06 -0.02 0.00 -0.57 0.00 0.00 43.02 39.42 1ocr s PHE 69 CO 0.91 -1.41 0.69 0.00 -0.10 0.00 0.00 175.22 175.30 1ocr n GLN 70 N -2.41 2.09 0.00 0.44 10.64 -1.26 -4.47 117.38 122.41 1ocr n GLN 70 Ca 0.09 -0.59 0.04 0.00 -1.83 0.00 0.00 57.00 54.71 1ocr n GLN 70 Cb 0.53 -1.14 0.02 0.00 -0.86 0.00 0.00 30.24 28.79 1ocr n GLN 70 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1ocr n SER 71 N -0.34 1.52 -3.33 2.61 3.41 -1.26 -4.85 113.62 111.38 1ocr n SER 71 Ca 0.05 -1.26 -0.13 0.00 -0.26 0.00 0.00 58.87 57.27 1ocr n SER 71 Cb 0.25 0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 1ocr n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ocr s ALA 72 N -0.89 -0.83 -2.28 7.33 0.00 -1.26 -5.26 121.76 118.56 1ocr s ALA 72 Ca 0.09 -0.64 0.30 0.00 0.00 0.00 0.00 51.96 51.71 1ocr s ALA 72 Cb 0.07 -2.16 1.42 0.00 0.00 0.00 0.00 23.12 22.45 1ocr s ALA 72 CO 0.14 -2.10 1.95 1.63 0.00 0.00 0.00 175.76 177.39