#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2woe s PRO 4 N 0.00 3.59 0.95 1.61 0.04 -1.26 -5.03 135.00 134.91 2woe s PRO 4 Ca 0.00 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 2woe s PRO 4 Cb 0.00 -2.33 0.16 0.00 0.04 0.00 0.00 34.50 32.37 2woe s PRO 4 CO 0.00 -0.71 1.09 -1.54 0.04 0.00 0.00 177.00 175.88 2woe s SER 5 N -1.33 2.91 0.16 6.66 1.04 -1.26 -4.77 113.70 117.11 2woe s SER 5 Ca 0.66 1.53 -0.16 0.00 0.48 0.00 0.00 55.95 58.46 2woe s SER 5 Cb -0.30 -2.19 0.10 0.00 0.10 0.00 0.00 66.02 63.73 2woe s SER 5 CO 0.36 -3.00 1.71 0.58 0.98 0.00 0.00 173.24 173.88 2woe h VAL 6 N -1.80 0.75 -0.47 5.02 2.07 -1.96 -0.41 116.25 119.46 2woe h VAL 6 Ca -0.51 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 66.98 2woe h VAL 6 Cb 1.30 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 2woe h VAL 6 CO 0.53 0.03 0.26 -0.74 0.02 0.00 0.00 177.57 177.67 2woe h HIS 7 N 0.15 0.49 -0.12 1.57 -0.00 -1.92 0.30 115.15 115.62 2woe h HIS 7 Ca 0.19 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.53 2woe h HIS 7 Cb 0.25 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 2woe h HIS 7 CO -0.23 0.27 -0.14 -0.44 -0.00 0.00 0.00 177.93 177.39 2woe h ASP 8 N 0.53 0.18 -0.20 3.26 3.32 -1.79 0.13 116.42 121.85 2woe h ASP 8 Ca 0.19 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 57.05 2woe h ASP 8 Cb 0.05 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2woe h ASP 8 CO -0.10 0.34 -0.49 0.03 -1.72 0.00 0.00 179.24 177.30 2woe h ARG 9 N 0.18 0.68 -0.25 3.56 3.08 -0.50 -0.84 114.38 120.30 2woe h ARG 9 Ca 0.04 -0.47 -0.05 0.00 0.07 0.00 0.00 59.98 59.57 2woe h ARG 9 Cb 0.36 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2woe h ARG 9 CO 0.02 1.09 -0.05 0.00 -1.07 0.00 0.00 179.97 179.96 2woe h ALA 10 N 0.59 0.34 -0.46 0.04 0.00 -0.64 -0.48 119.26 118.64 2woe h ALA 10 Ca -0.01 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.69 2woe h ALA 10 Cb 1.10 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2woe h ALA 10 CO 0.11 0.13 0.21 -0.07 0.00 0.00 0.00 179.25 179.63 2woe h LEU 11 N 0.22 0.28 -0.66 0.00 3.38 -0.84 -2.51 115.31 115.18 2woe h LEU 11 Ca 0.06 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.14 2woe h LEU 11 Cb 0.51 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2woe h LEU 11 CO 0.02 0.20 0.35 1.23 0.09 0.00 0.00 178.44 180.33 2woe h GLY 12 N 0.42 0.98 0.94 0.83 0.00 -0.98 0.53 103.07 105.79 2woe h GLY 12 Ca 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2woe h GLY 12 CO -0.17 0.11 0.04 0.00 0.00 0.00 0.00 176.54 176.52 2woe h ALA 13 N 1.37 0.08 0.14 3.60 0.00 -0.85 0.31 119.26 123.91 2woe h ALA 13 Ca 0.31 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.99 2woe h ALA 13 Cb 0.25 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.04 2woe h ALA 13 CO -0.22 -0.39 -0.83 0.35 0.00 0.00 0.00 179.25 178.17 2woe h PHE 14 N 0.03 0.57 -0.28 0.00 -0.00 -1.25 -0.21 116.94 115.80 2woe h PHE 14 Ca 0.02 -0.41 -0.06 0.00 -0.00 0.00 0.00 57.97 57.52 2woe h PHE 14 Cb 0.06 -0.03 -0.02 0.00 -0.00 0.00 0.00 35.95 35.97 2woe h PHE 14 CO -0.05 1.31 -0.10 -0.07 -0.00 0.00 0.00 178.31 179.40 2woe h LEU 15 N -0.33 0.44 -0.39 0.59 3.38 -0.99 -2.17 115.31 115.84 2woe h LEU 15 Ca -0.14 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 2woe h LEU 15 Cb 1.65 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 2woe h LEU 15 CO 0.16 0.58 0.02 1.23 0.09 0.00 0.00 178.44 180.52 2woe h GLY 16 N 0.88 0.72 0.41 0.83 0.00 -0.36 0.07 103.07 105.63 2woe h GLY 16 Ca 0.08 -0.52 0.07 0.00 0.00 0.00 0.00 47.33 46.96 2woe h GLY 16 CO 0.02 0.48 -0.01 -2.00 0.00 0.00 0.00 176.54 175.03 2woe h LEU 17 N 0.50 -0.17 -0.17 3.11 5.85 -0.85 0.94 115.31 124.53 2woe h LEU 17 Ca 0.11 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 2woe h LEU 17 Cb 0.44 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2woe h LEU 17 CO 0.02 -0.05 0.09 0.00 -0.34 0.00 0.00 178.44 178.16 2woe h ALA 18 N 1.32 0.22 -0.62 1.25 0.00 -1.13 -0.23 119.26 120.06 2woe h ALA 18 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2woe h ALA 18 Cb 0.25 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2woe h ALA 18 CO -0.30 -0.25 0.36 0.28 0.00 0.00 0.00 179.25 179.33 2woe h VAL 19 N 0.17 1.19 -0.34 0.00 2.07 -0.85 -0.06 116.25 118.42 2woe h VAL 19 Ca 0.06 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2woe h VAL 19 Cb 0.07 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2woe h VAL 19 CO -0.01 0.20 0.21 1.23 0.02 0.00 0.00 177.57 179.22 2woe h GLY 20 N 0.84 0.50 0.32 2.17 0.00 -0.61 0.11 103.07 106.39 2woe h GLY 20 Ca 0.22 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.35 2woe h GLY 20 CO -0.04 0.20 -0.45 -1.80 0.00 0.00 0.00 176.54 174.45 2woe h ASP 21 N 0.45 -1.31 -0.57 0.19 3.58 -0.82 -0.65 116.42 117.28 2woe h ASP 21 Ca 0.12 0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.73 2woe h ASP 21 Cb 0.00 0.48 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 2woe h ASP 21 CO -0.02 -0.54 0.36 0.00 -2.88 0.00 0.00 179.24 176.16 2woe h ALA 22 N -0.38 0.73 -0.32 -0.78 0.00 -0.83 0.11 119.26 117.79 2woe h ALA 22 Ca -0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2woe h ALA 22 Cb 0.73 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2woe h ALA 22 CO -0.21 0.11 -0.15 1.25 0.00 0.00 0.00 179.25 180.25 2woe h LEU 23 N 0.73 0.69 -0.49 0.00 5.85 -0.77 -3.27 115.31 118.04 2woe h LEU 23 Ca 0.22 -0.41 -0.17 0.00 0.84 0.00 0.00 57.88 58.37 2woe h LEU 23 Cb -0.02 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2woe h LEU 23 CO -0.08 0.94 -0.70 1.23 -0.34 0.00 0.00 178.44 179.50 2woe h GLY 24 N 0.43 0.32 1.17 3.75 0.00 -0.81 -3.32 103.07 104.62 2woe h GLY 24 Ca 0.07 -0.44 0.09 0.00 0.00 0.00 0.00 47.33 47.05 2woe h GLY 24 CO 0.05 0.39 0.34 0.00 0.00 0.00 0.00 176.54 177.32 2woe h ALA 25 N 1.06 2.09 -0.92 3.60 0.00 -0.84 -0.66 119.26 123.59 2woe h ALA 25 Ca -0.02 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2woe h ALA 25 Cb 1.25 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 2woe h ALA 25 CO 0.11 -0.20 0.59 1.15 0.00 0.00 0.00 179.25 180.90 2woe h THR 26 N 0.29 0.96 -0.28 0.00 2.02 -1.70 -3.03 112.91 111.17 2woe h THR 26 Ca 0.23 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2woe h THR 26 Cb 0.53 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2woe h THR 26 CO -0.05 0.17 0.00 1.33 0.37 0.00 0.00 175.52 177.34 2woe n VAL 27 N -4.54 0.98 -1.68 3.16 0.24 -0.34 -3.91 118.33 112.24 2woe n VAL 27 Ca 0.16 -0.99 -0.44 0.00 -2.04 0.00 0.00 64.34 61.03 2woe n VAL 27 Cb 0.32 0.51 -0.02 0.00 -1.47 0.00 0.00 33.84 33.18 2woe n VAL 27 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2woe n GLU 28 N 0.33 2.08 -0.99 7.34 2.13 -0.71 -1.90 120.64 128.93 2woe n GLU 28 Ca 0.09 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.65 2woe n GLU 28 Cb 0.39 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.75 2woe n GLU 28 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2woe n PHE 29 N 1.11 0.00 -3.99 4.31 3.01 0.65 -4.71 117.46 117.85 2woe n PHE 29 Ca 0.08 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.22 2woe n PHE 29 Cb 0.34 -0.42 -0.05 0.00 -0.01 0.00 0.00 39.48 39.34 2woe n PHE 29 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 2woe s MET 30 N -0.41 3.22 0.63 -1.08 -1.94 -0.80 -4.88 119.30 114.04 2woe s MET 30 Ca 0.00 -0.49 -0.10 0.00 -1.71 0.00 0.00 55.69 53.39 2woe s MET 30 Cb 0.00 -2.93 -0.01 0.00 2.01 0.00 0.00 34.83 33.89 2woe s MET 30 CO 0.00 0.62 1.00 0.95 -0.01 0.00 0.00 175.02 177.58 2woe s THR 31 N -1.38 4.15 0.21 2.05 -4.23 -1.26 -0.72 115.64 114.45 2woe s THR 31 Ca 0.30 0.52 -0.09 0.00 -1.18 0.00 0.00 61.69 61.24 2woe s THR 31 Cb -0.13 -3.67 0.15 0.00 1.34 0.00 0.00 72.50 70.19 2woe s THR 31 CO 0.22 -0.83 1.75 0.50 -0.54 0.00 0.00 174.62 175.72 2woe h LYS 32 N -0.35 0.41 -0.38 3.99 3.64 -1.80 -1.52 116.57 120.57 2woe h LYS 32 Ca -0.45 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.88 2woe h LYS 32 Cb 1.22 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 2woe h LYS 32 CO 0.62 0.27 0.11 0.78 -2.27 0.00 0.00 179.45 178.96 2woe h GLY 33 N 0.42 0.58 1.03 5.01 0.00 -1.91 -2.31 103.07 105.89 2woe h GLY 33 Ca 0.31 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 2woe h GLY 33 CO -0.30 0.28 -0.36 0.83 0.00 0.00 0.00 176.54 176.98 2woe h GLU 34 N 0.54 0.78 -0.61 4.80 5.08 -1.68 -2.27 114.58 121.23 2woe h GLU 34 Ca 0.13 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 2woe h GLU 34 Cb 0.18 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2woe h GLU 34 CO -0.01 1.06 0.15 0.82 -1.00 0.00 0.00 179.01 180.04 2woe h ILE 35 N 0.54 1.25 -0.29 3.13 2.04 -1.28 -1.02 117.51 121.88 2woe h ILE 35 Ca 0.04 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.00 2woe h ILE 35 Cb 0.95 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2woe h ILE 35 CO 0.09 0.34 0.17 0.00 0.00 0.00 0.00 178.15 178.75 2woe h ALA 36 N 1.04 0.36 -0.02 1.87 0.00 -1.36 0.23 119.26 121.38 2woe h ALA 36 Ca 0.19 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 2woe h ALA 36 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2woe h ALA 36 CO 0.00 -0.20 -0.79 -0.56 0.00 0.00 0.00 179.25 177.71 2woe h GLN 37 N 0.35 0.22 0.22 0.00 3.07 -1.20 0.82 115.11 118.60 2woe h GLN 37 Ca 0.11 -0.21 -0.33 0.00 0.09 0.00 0.00 58.65 58.31 2woe h GLN 37 Cb -0.01 0.05 0.03 0.00 0.08 0.00 0.00 27.48 27.63 2woe h GLN 37 CO -0.05 0.90 -1.51 1.96 0.09 0.00 0.00 178.83 180.23 2woe h GLN 38 N 0.14 0.47 0.00 0.06 4.20 -1.11 -3.41 115.11 115.47 2woe h GLN 38 Ca -0.03 -0.81 -0.01 0.00 0.06 0.00 0.00 58.65 57.86 2woe h GLN 38 Cb 1.38 0.30 -0.00 0.00 0.30 0.00 0.00 27.48 29.45 2woe h GLN 38 CO 0.12 1.38 -1.35 0.66 -0.67 0.00 0.00 178.83 178.97 2woe n TYR 39 N -3.66 0.00 0.00 2.96 4.01 0.80 -5.04 117.16 116.23 2woe n TYR 39 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2woe n TYR 39 Cb 1.09 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.94 2woe n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2woe n GLY 40 N 2.11 2.29 2.99 2.72 0.00 0.28 -4.44 105.19 111.13 2woe n GLY 40 Ca -0.02 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2woe n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2woe s ILE 41 N 0.00 1.25 -0.17 -0.61 1.01 -1.26 -4.24 121.20 117.17 2woe s ILE 41 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 59.89 2woe s ILE 41 Cb 0.00 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 2woe s ILE 41 CO 0.00 0.40 1.24 -2.28 0.00 0.00 0.00 174.94 174.29 2woe s HIS 42 N 1.26 2.90 0.00 3.97 5.65 -1.26 -4.83 115.29 122.98 2woe s HIS 42 Ca -0.02 1.06 0.00 0.00 0.25 0.00 0.00 55.06 56.35 2woe s HIS 42 Cb -0.14 -3.48 0.00 0.00 -1.18 0.00 0.00 32.58 27.78 2woe s HIS 42 CO -0.04 -1.56 0.00 -2.13 -0.65 0.00 0.00 174.74 170.35 2woe n ARG 43 N 6.58 0.00 -4.05 2.88 0.63 -1.26 -4.81 116.66 116.63 2woe n ARG 43 Ca 0.14 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.97 2woe n ARG 43 Cb 0.45 -0.16 -0.11 0.00 0.45 0.00 0.00 32.46 33.09 2woe n ARG 43 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2woe s LYS 44 N 0.00 0.51 -1.00 -0.14 -0.14 -1.26 -5.04 119.74 112.67 2woe s LYS 44 Ca 0.00 -0.90 -0.23 0.00 -1.36 0.00 0.00 55.97 53.48 2woe s LYS 44 Cb 0.00 0.01 0.05 0.00 -1.68 0.00 0.00 37.83 36.21 2woe s LYS 44 CO 0.00 -0.04 1.45 -1.64 -0.76 0.00 0.00 175.35 174.36 2woe s MET 45 N -2.46 3.54 0.00 1.68 -1.94 -1.26 -4.77 119.30 114.09 2woe s MET 45 Ca -0.05 -1.04 0.10 0.00 -1.71 0.00 0.00 55.69 52.99 2woe s MET 45 Cb -0.03 -5.27 0.11 0.00 2.01 0.00 0.00 34.83 31.65 2woe s MET 45 CO -0.04 -2.24 0.88 0.25 -0.01 0.00 0.00 175.02 173.87 2woe n THR 46 N 6.88 0.16 -4.72 2.05 -2.24 -1.26 -4.35 114.28 110.80 2woe n THR 46 Ca 0.31 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2woe n THR 46 Cb 0.51 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 2woe n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2woe n GLY 47 N 0.54 0.41 7.00 3.38 0.00 -1.26 -4.58 105.19 110.68 2woe n GLY 47 Ca 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2woe n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2woe n GLY 48 N 0.00 0.94 7.00 -0.02 0.00 0.96 -4.75 105.19 109.31 2woe n GLY 48 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2woe n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2woe n GLY 49 N 0.00 -1.84 0.21 -0.02 0.00 -1.25 -1.30 105.19 100.99 2woe n GLY 49 Ca 0.00 -1.33 0.07 0.00 0.00 0.00 0.00 46.02 44.76 2woe n GLY 49 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2woe h TRP 50 N 0.00 0.00 -0.01 1.61 5.08 -1.84 -2.42 115.95 118.37 2woe h TRP 50 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2woe h TRP 50 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2woe h TRP 50 CO 0.00 0.31 -0.00 1.28 -1.28 0.00 0.00 178.44 178.75 2woe n LEU 51 N -3.65 1.26 -3.67 0.11 4.77 -1.26 -4.96 117.00 109.61 2woe n LEU 51 Ca -0.01 -0.42 -0.25 0.00 -0.03 0.00 0.00 56.01 55.30 2woe n LEU 51 Cb 0.42 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 2woe n LEU 51 CO 0.35 0.21 -0.08 0.54 -1.33 0.00 0.00 177.39 177.08 2woe n ARG 52 N -0.01 -3.06 -2.59 3.23 1.74 -0.91 -4.93 116.66 110.13 2woe n ARG 52 Ca 0.20 0.57 -0.33 0.00 -0.77 0.00 0.00 57.85 57.52 2woe n ARG 52 Cb 0.32 -4.80 -0.05 0.00 -1.02 0.00 0.00 32.46 26.91 2woe n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2woe s LEU 53 N -6.48 3.78 0.47 0.55 1.43 -0.42 -4.68 118.68 113.35 2woe s LEU 53 Ca 0.23 1.66 -0.21 0.00 -1.03 0.00 0.00 54.13 54.78 2woe s LEU 53 Cb -0.07 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.54 2woe s LEU 53 CO 0.83 -0.51 1.03 -0.54 0.23 0.00 0.00 176.35 177.39 2woe s LYS 54 N -3.59 3.86 -0.06 1.70 1.02 -1.26 -0.03 119.74 121.37 2woe s LYS 54 Ca 0.61 1.36 -0.37 0.00 0.02 0.00 0.00 55.97 57.60 2woe s LYS 54 Cb -0.10 -2.14 -0.15 0.00 -0.52 0.00 0.00 37.83 34.92 2woe s LYS 54 CO 0.22 -0.38 1.63 -2.30 -0.92 0.00 0.00 175.35 173.60 2woe n PRO 55 N -0.87 1.56 -0.85 -1.68 -0.02 -1.26 -1.34 135.00 130.54 2woe n PRO 55 Ca 0.09 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2woe n PRO 55 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2woe n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2woe n GLY 56 N 3.64 0.73 3.72 -1.23 0.00 -1.26 -4.84 105.19 105.95 2woe n GLY 56 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2woe n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2woe s GLN 57 N -0.15 4.46 0.65 1.61 0.74 -0.45 -4.30 119.66 122.23 2woe s GLN 57 Ca 0.00 1.78 -0.07 0.00 0.05 0.00 0.00 55.36 57.11 2woe s GLN 57 Cb 0.00 -3.32 0.03 0.00 1.10 0.00 0.00 33.01 30.82 2woe s GLN 57 CO 0.00 -0.19 0.98 0.96 -0.55 0.00 0.00 175.29 176.49 2woe s ILE 58 N 0.73 3.16 0.00 -2.34 -4.36 -1.26 -4.27 121.20 112.86 2woe s ILE 58 Ca 0.57 0.02 0.00 0.00 -0.26 0.00 0.00 60.65 60.97 2woe s ILE 58 Cb -0.30 -3.31 0.00 0.00 1.25 0.00 0.00 42.46 40.10 2woe s ILE 58 CO 0.31 -0.34 0.00 0.35 0.24 0.00 0.00 174.94 175.50 2woe n THR 59 N -2.79 0.00 0.23 8.37 -2.24 -1.26 -4.99 114.28 111.60 2woe n THR 59 Ca 0.06 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.91 2woe n THR 59 Cb 0.58 0.00 0.55 0.00 -2.10 0.00 0.00 70.33 69.36 2woe n THR 59 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2woe h ASP 60 N 0.00 0.00 0.11 3.42 2.03 -1.98 -1.70 116.42 118.29 2woe h ASP 60 Ca 0.00 0.00 0.01 0.00 -0.73 0.00 0.00 57.03 56.31 2woe h ASP 60 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 2woe h ASP 60 CO 0.00 0.21 -0.13 0.44 -1.03 0.00 0.00 179.24 178.73 2woe h ASP 61 N 0.00 -0.34 -0.01 4.15 3.32 -1.93 0.55 116.42 122.16 2woe h ASP 61 Ca -0.00 0.04 -0.22 0.00 0.02 0.00 0.00 57.03 56.86 2woe h ASP 61 Cb 0.41 0.12 0.02 0.00 0.22 0.00 0.00 39.33 40.10 2woe h ASP 61 CO 0.03 -0.19 -0.87 0.74 -1.72 0.00 0.00 179.24 177.22 2woe h THR 62 N -0.27 1.33 -0.45 0.35 2.02 -1.86 -2.76 112.91 111.28 2woe h THR 62 Ca 0.01 -2.17 -0.01 0.00 0.77 0.00 0.00 66.41 65.01 2woe h THR 62 Cb 0.27 2.44 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 2woe h THR 62 CO -0.05 0.66 0.23 -0.33 0.37 0.00 0.00 175.52 176.40 2woe h GLU 63 N 0.22 0.63 -0.37 6.66 5.08 -1.23 0.60 114.58 126.18 2woe h GLU 63 Ca -0.11 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.06 2woe h GLU 63 Cb 1.55 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 2woe h GLU 63 CO 0.17 0.52 -0.22 0.52 -1.00 0.00 0.00 179.01 179.01 2woe h MET 64 N 0.58 0.72 -0.61 2.33 2.86 -0.99 -1.23 114.93 118.60 2woe h MET 64 Ca 0.16 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2woe h MET 64 Cb 0.09 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 2woe h MET 64 CO -0.02 0.88 0.39 0.77 1.06 0.00 0.00 176.91 179.99 2woe h SER 65 N 0.64 0.71 0.07 1.22 0.02 -1.17 -1.45 113.55 113.58 2woe h SER 65 Ca 0.09 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 2woe h SER 65 Cb 0.71 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2woe h SER 65 CO 0.05 0.52 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.93 2woe h LEU 66 N 0.82 0.33 -0.62 5.07 3.38 -0.67 -0.51 115.31 123.12 2woe h LEU 66 Ca 0.22 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2woe h LEU 66 Cb -0.08 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2woe h LEU 66 CO -0.05 0.60 0.21 0.00 0.09 0.00 0.00 178.44 179.30 2woe h ALA 67 N 1.43 0.81 -0.13 1.53 0.00 -0.82 -0.82 119.26 121.26 2woe h ALA 67 Ca 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2woe h ALA 67 Cb 0.63 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2woe h ALA 67 CO 0.05 0.46 -0.01 1.25 0.00 0.00 0.00 179.25 181.00 2woe h LEU 68 N 0.88 0.22 -1.08 0.00 5.85 -0.94 -2.95 115.31 117.28 2woe h LEU 68 Ca 0.20 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2woe h LEU 68 Cb 0.26 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2woe h LEU 68 CO -0.01 0.49 0.17 1.23 -0.34 0.00 0.00 178.44 179.98 2woe h GLY 69 N -0.05 0.88 0.80 3.75 0.00 -1.01 -1.36 103.07 106.07 2woe h GLY 69 Ca 0.03 -0.48 0.04 0.00 0.00 0.00 0.00 47.33 46.92 2woe h GLY 69 CO 0.01 0.45 0.37 -0.09 0.00 0.00 0.00 176.54 177.28 2woe h ARG 70 N 0.80 0.70 -0.13 4.80 2.43 -1.13 0.14 114.38 121.99 2woe h ARG 70 Ca 0.18 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2woe h ARG 70 Cb 0.24 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2woe h ARG 70 CO -0.01 0.46 -0.05 1.03 -1.51 0.00 0.00 179.97 179.90 2woe h SER 71 N 0.72 0.26 -0.43 -3.80 0.87 -1.27 0.04 113.55 109.94 2woe h SER 71 Ca 0.27 -0.39 0.03 0.00 -1.23 0.00 0.00 61.79 60.46 2woe h SER 71 Cb 0.08 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 2woe h SER 71 CO -0.13 0.59 0.22 -0.07 -0.53 0.00 0.00 176.83 176.91 2woe h LEU 72 N -0.08 0.34 -0.30 2.23 3.38 -1.03 0.14 115.31 119.99 2woe h LEU 72 Ca 0.03 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2woe h LEU 72 Cb 0.49 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2woe h LEU 72 CO 0.02 0.24 0.04 0.00 0.09 0.00 0.00 178.44 178.83 2woe h ALA 73 N 1.22 0.40 -0.47 1.53 0.00 -0.73 0.18 119.26 121.39 2woe h ALA 73 Ca 0.18 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2woe h ALA 73 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2woe h ALA 73 CO -0.11 0.11 -0.16 0.00 0.00 0.00 0.00 179.25 179.08 2woe h ALA 74 N 0.87 0.66 0.00 0.00 0.00 -0.80 -3.21 119.26 116.78 2woe h ALA 74 Ca 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2woe h ALA 74 Cb 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2woe h ALA 74 CO 0.01 0.60 -0.76 0.87 0.00 0.00 0.00 179.25 179.98 2woe h LYS 75 N 0.80 0.00 -0.31 0.00 1.79 -0.73 -3.48 116.57 114.64 2woe h LYS 75 Ca 0.11 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.45 2woe h LYS 75 Cb 0.73 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.33 2woe h LYS 75 CO 0.06 0.00 -0.12 0.41 -1.08 0.00 0.00 179.45 178.72 2woe n GLY 76 N 1.30 0.83 3.81 3.86 0.00 0.63 -4.91 105.19 110.71 2woe n GLY 76 Ca 0.02 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.74 2woe n GLY 76 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2woe s THR 77 N -2.04 0.00 -0.08 2.61 -1.32 -1.19 -5.04 115.64 108.58 2woe s THR 77 Ca 0.00 -0.25 -0.30 0.00 -1.21 0.00 0.00 61.69 59.93 2woe s THR 77 Cb 0.00 -2.50 -0.03 0.00 -1.51 0.00 0.00 72.50 68.46 2woe s THR 77 CO 0.00 0.00 1.20 -0.22 -2.21 0.00 0.00 174.62 173.39 2woe s LEU 78 N -3.38 4.25 -0.35 9.08 2.96 -1.26 -4.49 118.68 125.49 2woe s LEU 78 Ca 0.21 1.76 -0.01 0.00 -0.22 0.00 0.00 54.13 55.88 2woe s LEU 78 Cb 0.02 -3.55 0.13 0.00 0.50 0.00 0.00 46.19 43.28 2woe s LEU 78 CO -0.01 -0.61 0.19 -0.62 -1.32 0.00 0.00 176.35 173.97 2woe s ASP 79 N 1.54 3.30 0.27 3.68 -1.08 -1.26 -5.02 116.67 118.10 2woe s ASP 79 Ca 0.55 -2.02 -0.01 0.00 -0.52 0.00 0.00 52.55 50.55 2woe s ASP 79 Cb -0.23 -0.54 0.37 0.00 -1.46 0.00 0.00 42.92 41.06 2woe s ASP 79 CO 0.20 -0.34 1.75 0.58 0.52 0.00 0.00 175.17 177.88 2woe h VAL 80 N 5.49 1.24 -0.79 1.11 2.07 -1.97 -1.13 116.25 122.27 2woe h VAL 80 Ca -0.02 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.45 2woe h VAL 80 Cb 0.98 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 2woe h VAL 80 CO 0.35 0.36 0.52 0.00 0.02 0.00 0.00 177.57 178.83 2woe h ALA 81 N 1.28 1.00 -0.57 1.67 0.00 -1.95 0.21 119.26 120.90 2woe h ALA 81 Ca 0.12 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2woe h ALA 81 Cb 0.50 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2woe h ALA 81 CO 0.03 0.42 -0.06 0.22 0.00 0.00 0.00 179.25 179.85 2woe h ASP 82 N 1.07 1.03 -0.60 0.00 1.82 -1.79 -1.25 116.42 116.71 2woe h ASP 82 Ca 0.29 -0.32 -0.03 0.00 -0.39 0.00 0.00 57.03 56.58 2woe h ASP 82 Cb -0.12 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 39.58 2woe h ASP 82 CO -0.06 1.11 0.27 0.40 -1.61 0.00 0.00 179.24 179.35 2woe h ILE 83 N 0.93 1.22 -0.63 2.25 2.04 -0.91 -0.59 117.51 121.82 2woe h ILE 83 Ca 0.15 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 65.43 2woe h ILE 83 Cb 0.63 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 2woe h ILE 83 CO 0.04 0.26 0.35 0.00 0.00 0.00 0.00 178.15 178.79 2woe h GLU 85 N 0.65 0.93 -0.67 0.00 4.39 -0.66 0.21 114.58 119.42 2woe h GLU 85 Ca 0.28 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.86 2woe h GLU 85 Cb 0.17 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 2woe h GLU 85 CO -0.17 0.63 0.18 0.93 -1.16 0.00 0.00 179.01 179.41 2woe h GLU 86 N 0.95 1.07 -0.52 2.33 4.39 -0.63 -0.43 114.58 121.74 2woe h GLU 86 Ca 0.25 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 2woe h GLU 86 Cb -0.09 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.39 2woe h GLU 86 CO -0.05 0.94 0.01 0.74 -1.16 0.00 0.00 179.01 179.49 2woe h PHE 87 N 1.00 0.94 -0.23 4.33 -1.00 -0.82 -0.49 116.94 120.66 2woe h PHE 87 Ca 0.21 -0.14 -0.03 0.00 2.81 0.00 0.00 57.97 60.82 2woe h PHE 87 Cb 0.34 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 2woe h PHE 87 CO 0.03 0.85 0.01 0.00 -1.61 0.00 0.00 178.31 177.59 2woe h ALA 88 N 1.19 0.31 -0.56 2.45 0.00 -0.64 0.02 119.26 122.04 2woe h ALA 88 Ca 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2woe h ALA 88 Cb 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2woe h ALA 88 CO 0.02 0.02 0.34 -0.07 0.00 0.00 0.00 179.25 179.57 2woe h LEU 89 N 0.18 0.67 -0.19 0.00 3.38 -0.97 -0.47 115.31 117.91 2woe h LEU 89 Ca 0.07 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2woe h LEU 89 Cb 0.38 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2woe h LEU 89 CO 0.01 0.52 0.00 -0.25 0.09 0.00 0.00 178.44 178.82 2woe h TRP 90 N 0.76 -0.00 -0.69 1.13 7.01 -0.96 -1.64 115.95 121.55 2woe h TRP 90 Ca 0.20 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.24 2woe h TRP 90 Cb -0.03 0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.02 2woe h TRP 90 CO -0.03 -0.02 0.44 1.25 -2.79 0.00 0.00 178.44 177.30 2woe h LEU 91 N 0.07 0.75 -2.11 0.65 5.85 -0.67 -2.02 115.31 117.82 2woe h LEU 91 Ca 0.09 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2woe h LEU 91 Cb 0.11 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 2woe h LEU 91 CO -0.15 0.53 -0.07 0.11 -0.34 0.00 0.00 178.44 178.52 2woe h LYS 92 N 0.89 0.00 0.00 1.25 1.57 -0.79 -1.97 116.57 117.52 2woe h LYS 92 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2woe h LYS 92 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2woe h LYS 92 CO -0.09 0.07 0.00 -1.13 -0.57 0.00 0.00 179.45 177.73 2woe n SER 93 N -3.47 0.00 -3.17 0.86 3.41 -0.64 -4.94 113.62 105.67 2woe n SER 93 Ca -0.02 -0.33 -0.05 0.00 -0.26 0.00 0.00 58.87 58.21 2woe n SER 93 Cb 0.20 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2woe n SER 93 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2woe n ARG 94 N -1.13 -1.46 -1.15 4.33 1.74 -0.74 -4.98 116.66 113.27 2woe n ARG 94 Ca 0.12 1.44 -0.31 0.00 -0.77 0.00 0.00 57.85 58.33 2woe n ARG 94 Cb 0.10 -5.15 0.12 0.00 -1.02 0.00 0.00 32.46 26.51 2woe n ARG 94 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2woe s PRO 95 N -3.26 1.69 0.45 5.56 0.04 -1.26 -4.92 135.00 133.29 2woe s PRO 95 Ca 0.03 1.09 0.12 0.00 0.04 0.00 0.00 61.00 62.28 2woe s PRO 95 Cb -0.01 -1.84 1.01 0.00 0.04 0.00 0.00 34.50 33.70 2woe s PRO 95 CO 0.78 -2.02 2.05 -0.24 0.04 0.00 0.00 177.00 177.61 2woe h VAL 96 N -1.40 1.09 -2.65 -0.36 3.04 -1.94 -3.43 116.25 110.60 2woe h VAL 96 Ca -0.46 -0.30 -0.11 0.00 -1.01 0.00 0.00 66.70 64.82 2woe h VAL 96 Cb 1.26 0.93 -0.23 0.00 -2.01 0.00 0.00 31.29 31.24 2woe h VAL 96 CO 0.51 0.10 -0.17 0.21 -1.01 0.00 0.00 177.57 177.21 2woe s ASN 97 N -6.90 -0.45 -0.05 3.17 2.47 -1.26 -5.03 114.94 106.88 2woe s ASN 97 Ca -0.06 0.81 -0.04 0.00 0.42 0.00 0.00 52.86 53.99 2woe s ASN 97 Cb 0.17 0.84 0.02 0.00 -1.45 0.00 0.00 41.25 40.83 2woe s ASN 97 CO 0.71 -0.22 0.14 0.54 -3.72 0.00 0.00 177.10 174.55 2woe s VAL 98 N -0.02 -0.02 0.59 -5.21 0.11 -1.26 -4.32 120.40 110.27 2woe s VAL 98 Ca -0.02 0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 58.90 2woe s VAL 98 Cb -0.03 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 2woe s VAL 98 CO 0.02 0.02 1.16 -0.83 -3.33 0.00 0.00 175.10 172.14 2woe s GLY 99 N 0.41 2.61 0.19 6.54 0.00 -1.26 -4.86 107.32 110.96 2woe s GLY 99 Ca -0.03 0.87 -0.10 0.00 0.00 0.00 0.00 44.72 45.46 2woe s GLY 99 CO -0.02 1.24 1.77 3.43 0.00 0.00 0.00 173.10 179.53 2woe h ASN 100 N 0.87 0.93 -0.05 1.64 2.35 -2.01 0.58 115.58 119.88 2woe h ASN 100 Ca -0.50 -0.14 -0.21 0.00 -0.55 0.00 0.00 56.30 54.90 2woe h ASN 100 Cb 1.28 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 39.41 2woe h ASN 100 CO 0.55 0.82 -0.75 0.74 -1.65 0.00 0.00 177.43 177.14 2woe h THR 101 N 0.98 1.30 -0.50 2.81 2.02 -1.94 -1.14 112.91 116.44 2woe h THR 101 Ca 0.24 -2.00 0.04 0.00 0.77 0.00 0.00 66.41 65.46 2woe h THR 101 Cb 0.15 1.99 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 2woe h THR 101 CO -0.03 0.63 0.27 0.00 0.37 0.00 0.00 175.52 176.76 2woe h ARG 103 N 0.53 0.35 -0.71 0.00 2.43 -0.77 -1.56 114.38 114.65 2woe h ARG 103 Ca 0.21 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.37 2woe h ARG 103 Cb 0.09 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 2woe h ARG 103 CO -0.13 0.40 0.43 -0.09 -1.51 0.00 0.00 179.97 179.06 2woe h ARG 104 N 0.22 0.79 -0.36 0.20 2.43 -1.01 -0.47 114.38 116.18 2woe h ARG 104 Ca 0.08 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 2woe h ARG 104 Cb 0.18 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2woe h ARG 104 CO -0.01 0.52 -0.34 0.78 -1.51 0.00 0.00 179.97 179.41 2woe h GLY 105 N 0.81 0.94 1.04 2.80 0.00 -1.07 -0.03 103.07 107.56 2woe h GLY 105 Ca 0.30 -0.96 -0.08 0.00 0.00 0.00 0.00 47.33 46.60 2woe h GLY 105 CO -0.15 0.86 0.07 -2.22 0.00 0.00 0.00 176.54 175.11 2woe h ILE 106 N 0.66 1.26 -0.13 2.60 2.04 -1.10 -2.06 117.51 120.79 2woe h ILE 106 Ca 0.06 -1.04 -0.12 0.00 1.00 0.00 0.00 64.86 64.76 2woe h ILE 106 Cb 0.93 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2woe h ILE 106 CO 0.09 0.38 -0.43 0.03 0.00 0.00 0.00 178.15 178.21 2woe h ARG 107 N 0.90 0.30 -0.34 2.37 3.08 -0.98 -1.18 114.38 118.53 2woe h ARG 107 Ca 0.18 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.09 2woe h ARG 107 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2woe h ARG 107 CO 0.02 0.68 0.20 -0.09 -1.07 0.00 0.00 179.97 179.71 2woe h ARG 108 N 0.24 0.40 -0.44 0.04 2.43 -0.82 -0.82 114.38 115.41 2woe h ARG 108 Ca 0.02 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2woe h ARG 108 Cb 0.87 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 2woe h ARG 108 CO 0.07 0.26 0.27 -0.92 -1.51 0.00 0.00 179.97 178.14 2woe h TYR 109 N 0.41 0.50 -0.46 2.20 3.20 -1.02 0.23 116.97 122.02 2woe h TYR 109 Ca 0.14 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 2woe h TYR 109 Cb 0.00 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 2woe h TYR 109 CO -0.07 0.30 0.07 0.52 -1.64 0.00 0.00 178.16 177.34 2woe h MET 110 N 0.54 0.72 0.05 1.82 2.86 -0.92 0.02 114.93 120.01 2woe h MET 110 Ca 0.17 -0.15 -0.36 0.00 -2.06 0.00 0.00 59.70 57.30 2woe h MET 110 Cb -0.01 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 2woe h MET 110 CO -0.07 0.68 -2.03 0.72 1.06 0.00 0.00 176.91 177.27 2woe n HIS 111 N -4.27 0.72 0.51 -0.22 8.25 -0.34 -4.56 115.22 115.30 2woe n HIS 111 Ca 0.03 0.20 0.11 0.00 -0.26 0.00 0.00 57.72 57.80 2woe n HIS 111 Cb 0.24 -1.09 -0.14 0.00 1.12 0.00 0.00 29.99 30.12 2woe n HIS 111 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2woe n GLU 112 N -3.76 0.32 -0.99 -0.41 1.02 0.78 -5.00 120.64 112.60 2woe n GLU 112 Ca -0.39 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 56.66 2woe n GLU 112 Cb 0.93 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 2woe n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2woe n GLY 113 N 1.38 0.88 3.73 0.62 0.00 -0.01 -4.99 105.19 106.80 2woe n GLY 113 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2woe n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2woe s THR 114 N -3.53 4.53 -2.59 2.61 -4.23 -1.26 -4.94 115.64 106.22 2woe s THR 114 Ca 0.00 1.98 0.24 0.00 -1.18 0.00 0.00 61.69 62.73 2woe s THR 114 Cb 0.00 -4.28 0.39 0.00 1.34 0.00 0.00 72.50 69.95 2woe s THR 114 CO 0.00 0.34 1.46 0.35 -0.54 0.00 0.00 174.62 176.23 2woe n THR 115 N 2.72 0.19 -3.98 3.99 -2.24 -1.26 -3.92 114.28 109.78 2woe n THR 115 Ca 0.01 -0.49 -0.12 0.00 -2.27 0.00 0.00 64.05 61.19 2woe n THR 115 Cb 0.49 0.90 -0.13 0.00 -2.10 0.00 0.00 70.33 69.50 2woe n THR 115 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2woe s THR 116 N -1.81 0.18 0.25 4.28 -1.32 -1.26 -3.99 115.64 111.98 2woe s THR 116 Ca 0.34 -0.54 -0.12 0.00 -1.21 0.00 0.00 61.69 60.16 2woe s THR 116 Cb 0.20 -0.24 -0.08 0.00 -1.51 0.00 0.00 72.50 70.87 2woe s THR 116 CO 0.30 -0.23 0.62 0.00 -2.21 0.00 0.00 174.62 173.10 2woe s ALA 117 N -0.77 3.48 0.59 11.08 0.00 0.92 -4.96 121.76 132.09 2woe s ALA 117 Ca -0.07 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.63 2woe s ALA 117 Cb -0.06 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.44 2woe s ALA 117 CO -0.00 0.44 1.02 -1.25 0.00 0.00 0.00 175.76 175.96 2woe s PRO 118 N -2.73 3.71 0.23 0.00 0.04 -1.26 -4.69 135.00 130.30 2woe s PRO 118 Ca 0.48 0.82 -0.32 0.00 0.04 0.00 0.00 61.00 62.03 2woe s PRO 118 Cb -0.12 -2.10 -0.13 0.00 0.04 0.00 0.00 34.50 32.20 2woe s PRO 118 CO 0.20 -0.48 1.58 0.98 0.04 0.00 0.00 177.00 179.32 2woe n TYR 119 N -2.37 2.54 -3.80 0.56 9.36 -1.26 -4.45 117.16 117.74 2woe n TYR 119 Ca 0.06 0.25 -0.14 0.00 3.32 0.00 0.00 57.90 61.39 2woe n TYR 119 Cb 0.54 -2.57 -0.15 0.00 -0.63 0.00 0.00 39.34 36.52 2woe n TYR 119 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2woe s SER 120 N 0.70 0.05 0.38 2.98 0.15 -0.99 -5.02 113.70 111.95 2woe s SER 120 Ca 0.71 0.03 0.13 0.00 0.70 0.00 0.00 55.95 57.52 2woe s SER 120 Cb -0.57 -0.05 0.96 0.00 -1.71 0.00 0.00 66.02 64.65 2woe s SER 120 CO 0.42 -0.09 1.85 -0.08 1.20 0.00 0.00 173.24 176.54 2woe h GLU 121 N 6.92 0.52 -0.32 5.44 4.81 -1.94 -1.28 114.58 128.73 2woe h GLU 121 Ca -0.39 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2woe h GLU 121 Cb 1.15 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2woe h GLU 121 CO 0.49 0.35 0.00 0.41 -0.73 0.00 0.00 179.01 179.53 2woe n GLY 122 N -1.46 0.19 1.36 1.92 0.00 -1.26 -4.11 105.19 101.82 2woe n GLY 122 Ca 0.19 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.06 2woe n GLY 122 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2woe n ASP 123 N 0.01 3.74 -1.53 1.61 9.92 -0.48 -4.42 116.55 125.39 2woe n ASP 123 Ca 0.06 -2.58 0.02 0.00 -0.53 0.00 0.00 54.79 51.75 2woe n ASP 123 Cb 0.20 -0.62 0.26 0.00 -0.64 0.00 0.00 41.12 40.33 2woe n ASP 123 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2woe n ALA 124 N 0.29 3.65 -1.53 2.24 0.00 -1.26 -4.43 120.51 119.48 2woe n ALA 124 Ca 0.18 -1.44 -0.29 0.00 0.00 0.00 0.00 53.44 51.89 2woe n ALA 124 Cb 0.84 -1.12 0.12 0.00 0.00 0.00 0.00 19.45 19.29 2woe n ALA 124 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2woe s GLY 125 N -0.55 1.60 0.00 0.00 0.00 -1.26 -0.51 107.32 106.60 2woe s GLY 125 Ca 0.38 -0.36 0.19 0.00 0.00 0.00 0.00 44.72 44.93 2woe s GLY 125 CO 0.11 0.13 1.51 1.16 0.00 0.00 0.00 173.10 176.01 2woe n ASN 126 N -3.62 1.61 0.28 1.64 0.23 -0.16 -4.44 115.26 110.79 2woe n ASN 126 Ca 0.07 -1.74 0.13 0.00 -0.53 0.00 0.00 54.58 52.51 2woe n ASN 126 Cb 0.58 -0.12 0.80 0.00 -2.08 0.00 0.00 39.78 38.96 2woe n ASN 126 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2woe h GLY 127 N 5.07 0.00 0.87 4.83 0.00 -1.94 -0.95 103.07 110.95 2woe h GLY 127 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2woe h GLY 127 CO 0.00 0.00 -1.76 0.00 0.00 0.00 0.00 176.54 174.78 2woe h ALA 128 N 1.93 0.18 -0.47 3.60 0.00 -1.89 -3.37 119.26 119.24 2woe h ALA 128 Ca -0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 54.91 53.72 2woe h ALA 128 Cb 0.19 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2woe h ALA 128 CO 0.01 1.04 0.19 0.00 0.00 0.00 0.00 179.25 180.49 2woe h ALA 129 N 0.10 1.46 0.00 0.00 0.00 -1.72 -2.67 119.26 116.43 2woe h ALA 129 Ca -0.35 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2woe h ALA 129 Cb 2.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2woe h ALA 129 CO 0.16 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.83 2woe h MET 130 N 0.66 0.00 -0.21 0.00 3.00 -1.36 -2.94 114.93 114.09 2woe h MET 130 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.86 2woe h MET 130 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.72 2woe h MET 130 CO -0.02 0.00 0.00 2.89 0.00 0.00 0.00 176.91 179.78 2woe n ARG 131 N -3.01 2.59 0.26 -0.10 1.85 -1.01 -4.71 116.66 112.54 2woe n ARG 131 Ca -0.02 -2.57 0.15 0.00 -1.00 0.00 0.00 57.85 54.41 2woe n ARG 131 Cb 0.10 -1.63 0.59 0.00 -1.05 0.00 0.00 32.46 30.47 2woe n ARG 131 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2woe h LEU 133 N 0.00 -0.12 -1.20 0.00 5.85 -1.85 -2.81 115.31 115.18 2woe h LEU 133 Ca -0.00 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.83 2woe h LEU 133 Cb 0.60 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 2woe h LEU 133 CO 0.01 -0.03 0.56 -0.65 -0.34 0.00 0.00 178.44 177.98 2woe h PRO 134 N 0.05 0.96 -0.31 5.25 0.11 -1.88 0.54 132.00 136.73 2woe h PRO 134 Ca 0.11 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.08 2woe h PRO 134 Cb 0.14 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 2woe h PRO 134 CO -0.19 0.64 -0.15 0.00 -0.21 0.00 0.00 178.00 178.08 2woe h ALA 135 N 1.52 1.16 -0.22 -0.75 0.00 -1.79 -0.59 119.26 118.60 2woe h ALA 135 Ca 0.36 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2woe h ALA 135 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2woe h ALA 135 CO -0.12 0.53 -0.01 0.00 0.00 0.00 0.00 179.25 179.65 2woe h ALA 136 N 1.35 0.30 -0.78 0.00 0.00 -1.00 -3.02 119.26 116.11 2woe h ALA 136 Ca 0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2woe h ALA 136 Cb 0.55 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2woe h ALA 136 CO 0.04 0.03 0.29 -0.07 0.00 0.00 0.00 179.25 179.54 2woe h LEU 137 N 0.16 1.09 -0.94 0.00 3.38 -0.77 -3.01 115.31 115.22 2woe h LEU 137 Ca 0.06 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2woe h LEU 137 Cb 0.42 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2woe h LEU 137 CO 0.01 0.97 0.00 0.00 0.09 0.00 0.00 178.44 179.52 2woe h ALA 138 N 1.18 1.00 -0.32 1.53 0.00 -1.10 -3.11 119.26 118.44 2woe h ALA 138 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2woe h ALA 138 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2woe h ALA 138 CO -0.02 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.48 2woe n THR 139 N -2.61 0.93 -0.29 0.00 -2.24 -1.14 -3.82 114.28 105.11 2woe n THR 139 Ca 0.02 -0.96 0.06 0.00 -2.27 0.00 0.00 64.05 60.90 2woe n THR 139 Cb 0.28 0.55 0.21 0.00 -2.10 0.00 0.00 70.33 69.28 2woe n THR 139 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2woe h LEU 140 N 2.02 0.56 -0.69 3.22 3.38 -1.48 -1.00 115.31 121.31 2woe h LEU 140 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2woe h LEU 140 Cb 0.71 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2woe h LEU 140 CO 0.00 0.25 -0.11 0.61 0.09 0.00 0.00 178.44 179.28 2woe n GLY 141 N -1.32 -0.34 2.34 0.83 0.00 -1.21 -4.32 105.19 101.17 2woe n GLY 141 Ca 0.16 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 2woe n GLY 141 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2woe n HIS 142 N -0.27 -1.13 0.30 1.61 1.44 -0.41 -5.00 115.22 111.76 2woe n HIS 142 Ca 0.16 -3.11 0.15 0.00 -2.01 0.00 0.00 57.72 52.91 2woe n HIS 142 Cb 0.34 0.16 0.71 0.00 0.12 0.00 0.00 29.99 31.32 2woe n HIS 142 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 2woe h PRO 143 N 4.31 0.00 0.00 -1.40 0.13 -1.65 -1.67 132.00 131.72 2woe h PRO 143 Ca 0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2woe h PRO 143 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 2woe h PRO 143 CO 0.40 0.00 -0.00 0.00 -0.23 0.00 0.00 178.00 178.17 2woe h ALA 144 N 2.08 1.43 0.00 -0.56 0.00 -1.96 -2.16 119.26 118.10 2woe h ALA 144 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2woe h ALA 144 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2woe h ALA 144 CO 0.00 0.00 -0.21 -0.25 0.00 0.00 0.00 179.25 178.79 2woe n ASP 145 N -3.71 0.69 0.15 0.00 10.43 -0.63 -4.31 116.55 119.18 2woe n ASP 145 Ca -0.03 0.39 -0.14 0.00 2.57 0.00 0.00 54.79 57.59 2woe n ASP 145 Cb 0.08 -0.43 -0.06 0.00 1.84 0.00 0.00 41.12 42.54 2woe n ASP 145 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 2woe h LEU 146 N 0.00 -0.69 0.46 0.64 5.85 -1.54 -0.46 115.31 119.57 2woe h LEU 146 Ca 0.00 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2woe h LEU 146 Cb 0.71 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2woe h LEU 146 CO 0.00 -0.36 -0.22 -0.08 -0.34 0.00 0.00 178.44 177.44 2woe h GLU 147 N -0.51 -0.59 -0.90 1.25 4.81 -1.77 0.30 114.58 117.18 2woe h GLU 147 Ca 0.01 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2woe h GLU 147 Cb 0.49 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.95 2woe h GLU 147 CO -0.08 -0.36 0.59 -1.00 -0.73 0.00 0.00 179.01 177.42 2woe h PRO 148 N -0.67 1.07 -0.09 0.92 0.13 -1.78 -0.69 132.00 130.87 2woe h PRO 148 Ca -0.06 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 64.89 2woe h PRO 148 Cb 0.50 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 31.40 2woe h PRO 148 CO 0.10 0.71 -0.39 -1.49 -0.23 0.00 0.00 178.00 176.70 2woe h TRP 149 N 1.10 0.57 -0.40 1.56 4.06 -0.90 -1.17 115.95 120.77 2woe h TRP 149 Ca 0.36 -0.25 -0.00 0.00 2.06 0.00 0.00 58.89 61.06 2woe h TRP 149 Cb 0.06 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.11 2woe h TRP 149 CO -0.00 1.00 0.24 0.28 -3.56 0.00 0.00 178.44 176.39 2woe h VAL 150 N -0.01 1.13 -0.61 1.49 2.07 -0.89 -2.24 116.25 117.19 2woe h VAL 150 Ca -0.02 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 2woe h VAL 150 Cb 1.03 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2woe h VAL 150 CO 0.08 0.13 -0.00 -0.07 0.02 0.00 0.00 177.57 177.73 2woe h LEU 151 N 0.52 1.06 -0.07 2.57 -0.00 -1.14 -1.84 115.31 116.42 2woe h LEU 151 Ca 0.14 -0.31 0.01 0.00 -0.00 0.00 0.00 57.88 57.72 2woe h LEU 151 Cb 0.01 -0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 40.37 2woe h LEU 151 CO -0.03 1.11 0.01 0.00 -0.00 0.00 0.00 178.44 179.54 2woe h ALA 152 N 0.99 0.07 -0.64 1.53 0.00 -1.05 0.12 119.26 120.28 2woe h ALA 152 Ca 0.17 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 2woe h ALA 152 Cb 0.57 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2woe h ALA 152 CO 0.03 -0.46 0.05 -0.56 0.00 0.00 0.00 179.25 178.31 2woe h GLN 153 N 0.05 1.10 -0.28 0.00 -0.00 -1.38 -2.90 115.11 111.70 2woe h GLN 153 Ca 0.03 -0.33 -0.02 0.00 -0.00 0.00 0.00 58.65 58.34 2woe h GLN 153 Cb 0.02 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.48 27.38 2woe h GLN 153 CO -0.04 1.04 0.11 0.00 -0.00 0.00 0.00 178.83 179.95 2woe h ALA 154 N 1.02 0.37 0.00 0.06 0.00 -0.97 -2.87 119.26 116.87 2woe h ALA 154 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2woe h ALA 154 Cb 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2woe h ALA 154 CO 0.02 -0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.78 2woe n ARG 155 N -4.75 0.10 -0.26 0.00 5.12 0.39 -1.34 116.66 115.92 2woe n ARG 155 Ca -0.02 0.38 0.15 0.00 -1.93 0.00 0.00 57.85 56.43 2woe n ARG 155 Cb 0.13 -1.71 0.43 0.00 -1.16 0.00 0.00 32.46 30.16 2woe n ARG 155 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2woe h ILE 156 N 0.00 0.76 0.00 0.55 2.04 -1.30 0.26 117.51 119.82 2woe h ILE 156 Ca 0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2woe h ILE 156 Cb 0.26 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2woe h ILE 156 CO 0.00 0.10 -0.98 0.35 0.00 0.00 0.00 178.15 177.62 2woe n THR 157 N -4.56 0.00 -4.30 -0.27 -2.24 -0.76 -4.30 114.28 97.85 2woe n THR 157 Ca 0.18 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.69 2woe n THR 157 Cb 0.57 -0.84 -0.17 0.00 -2.10 0.00 0.00 70.33 67.79 2woe n THR 157 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2woe s HIS 158 N -1.98 1.85 -0.39 4.78 3.76 -0.45 -4.61 115.29 118.24 2woe s HIS 158 Ca 0.00 -0.89 0.03 0.00 -0.15 0.00 0.00 55.06 54.05 2woe s HIS 158 Cb 0.00 -1.37 0.11 0.00 1.11 0.00 0.00 32.58 32.43 2woe s HIS 158 CO 0.00 -0.49 0.14 1.21 -0.85 0.00 0.00 174.74 174.75 2woe s ASN 159 N 1.16 4.30 -0.21 1.40 3.84 -1.26 -3.62 114.94 120.54 2woe s ASN 159 Ca -0.04 -2.33 -0.16 0.00 0.21 0.00 0.00 52.86 50.54 2woe s ASN 159 Cb -0.14 -1.35 0.06 0.00 -0.55 0.00 0.00 41.25 39.26 2woe s ASN 159 CO -0.04 -0.33 0.55 -2.28 -2.79 0.00 0.00 177.10 172.21 2woe s HIS 160 N 0.69 -0.69 0.35 0.43 2.46 -1.26 -2.35 115.29 114.91 2woe s HIS 160 Ca 0.13 1.57 0.07 0.00 0.47 0.00 0.00 55.06 57.30 2woe s HIS 160 Cb -0.21 0.30 0.76 0.00 -0.13 0.00 0.00 32.58 33.30 2woe s HIS 160 CO -0.08 -0.35 1.89 -1.35 -2.47 0.00 0.00 174.74 172.38 2woe h PRO 161 N 6.00 0.73 -0.35 2.88 0.11 -1.94 0.14 132.00 139.57 2woe h PRO 161 Ca -0.30 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.63 2woe h PRO 161 Cb 1.18 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2woe h PRO 161 CO 0.19 0.48 -0.30 -0.07 -0.21 0.00 0.00 178.00 178.09 2woe h LEU 162 N 0.75 0.88 -0.16 2.35 3.38 -1.97 -1.17 115.31 119.37 2woe h LEU 162 Ca 0.42 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2woe h LEU 162 Cb 0.57 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2woe h LEU 162 CO -0.18 1.15 0.08 -1.28 0.09 0.00 0.00 178.44 178.30 2woe h SER 163 N 0.62 0.21 -0.31 -0.43 0.87 -1.70 -2.02 113.55 110.79 2woe h SER 163 Ca 0.06 -0.11 0.06 0.00 -1.23 0.00 0.00 61.79 60.58 2woe h SER 163 Cb 0.88 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.72 2woe h SER 163 CO 0.08 0.26 -0.09 0.44 -0.53 0.00 0.00 176.83 176.99 2woe h ASP 164 N 0.14 -0.33 -0.25 6.23 3.32 -0.92 -0.45 116.42 124.15 2woe h ASP 164 Ca 0.06 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2woe h ASP 164 Cb 0.10 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2woe h ASP 164 CO -0.01 -0.12 0.10 0.00 -1.72 0.00 0.00 179.24 177.49 2woe h ALA 165 N 1.27 0.33 -0.37 3.45 0.00 -1.16 -2.13 119.26 120.65 2woe h ALA 165 Ca 0.15 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2woe h ALA 165 Cb 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2woe h ALA 165 CO -0.33 -0.07 0.24 0.00 0.00 0.00 0.00 179.25 179.09 2woe h ALA 166 N 0.93 0.47 -0.31 0.00 0.00 -1.15 -1.01 119.26 118.20 2woe h ALA 166 Ca 0.08 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2woe h ALA 166 Cb 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2woe h ALA 166 CO -0.01 -0.08 0.05 0.00 0.00 0.00 0.00 179.25 179.22 2woe h LEU 168 N 0.16 0.90 -0.34 0.00 5.85 -1.16 -1.69 115.31 119.02 2woe h LEU 168 Ca 0.15 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2woe h LEU 168 Cb 0.16 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2woe h LEU 168 CO -0.20 0.99 0.18 0.74 -0.34 0.00 0.00 178.44 179.82 2woe h THR 169 N 0.83 1.14 -0.61 1.05 2.02 -0.86 -0.63 112.91 115.85 2woe h THR 169 Ca 0.14 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 2woe h THR 169 Cb 0.57 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 2woe h THR 169 CO 0.03 0.15 0.32 -0.07 0.37 0.00 0.00 175.52 176.32 2woe h LEU 170 N 0.43 0.77 -0.54 2.58 3.38 -1.00 -1.37 115.31 119.56 2woe h LEU 170 Ca 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2woe h LEU 170 Cb 0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2woe h LEU 170 CO -0.02 0.66 0.28 1.23 0.09 0.00 0.00 178.44 180.69 2woe h GLY 171 N 0.83 0.81 1.30 0.83 0.00 -1.06 -1.51 103.07 104.27 2woe h GLY 171 Ca 0.21 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 2woe h GLY 171 CO -0.03 0.36 0.01 3.21 0.00 0.00 0.00 176.54 180.09 2woe h ARG 172 N 0.72 0.85 -0.32 4.80 3.08 -0.94 -2.20 114.38 120.37 2woe h ARG 172 Ca 0.19 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2woe h ARG 172 Cb 0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2woe h ARG 172 CO -0.03 0.84 0.14 0.52 -1.07 0.00 0.00 179.97 180.37 2woe h MET 173 N 0.79 0.47 -0.64 0.04 2.86 -0.97 0.01 114.93 117.48 2woe h MET 173 Ca 0.15 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.77 2woe h MET 173 Cb 0.46 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 2woe h MET 173 CO 0.02 0.46 0.35 0.28 1.06 0.00 0.00 176.91 179.08 2woe h VAL 174 N 0.37 0.97 -0.65 -2.22 2.07 -1.16 0.12 116.25 115.75 2woe h VAL 174 Ca 0.11 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2woe h VAL 174 Cb 0.16 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2woe h VAL 174 CO -0.01 0.12 0.34 0.45 0.02 0.00 0.00 177.57 178.49 2woe h HIS 175 N 0.66 0.90 0.03 1.57 -0.00 -1.01 -0.35 115.15 116.94 2woe h HIS 175 Ca 0.29 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 2woe h HIS 175 Cb 0.17 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.29 2woe h HIS 175 CO -0.08 0.66 -0.04 0.45 -0.00 0.00 0.00 177.93 178.91 2woe h HIS 176 N 0.88 -0.11 -0.19 2.45 3.86 -0.46 0.56 115.15 122.15 2woe h HIS 176 Ca 0.23 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 2woe h HIS 176 Cb 0.07 0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 2woe h HIS 176 CO -0.00 -0.07 0.02 -0.07 0.86 0.00 0.00 177.93 178.67 2woe h LEU 177 N -0.09 0.31 -1.04 2.43 3.38 -0.54 -0.51 115.31 119.24 2woe h LEU 177 Ca 0.01 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2woe h LEU 177 Cb 0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2woe h LEU 177 CO -0.03 0.50 -0.46 0.40 0.09 0.00 0.00 178.44 178.95 2woe h ILE 178 N 0.10 1.33 0.00 1.22 2.04 -1.10 -2.39 117.51 118.72 2woe h ILE 178 Ca 0.06 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.33 2woe h ILE 178 Cb 0.33 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2woe h ILE 178 CO 0.01 0.46 0.00 0.61 0.00 0.00 0.00 178.15 179.22 2woe n GLY 179 N -0.19 -1.01 1.57 5.37 0.00 0.19 -4.79 105.19 106.32 2woe n GLY 179 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2woe n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2woe n GLY 180 N 0.68 0.53 0.13 -0.02 0.00 -0.67 -4.93 105.19 100.90 2woe n GLY 180 Ca 0.12 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.54 2woe n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2woe n ARG 181 N -2.78 0.36 -0.05 1.61 1.74 -0.29 -5.04 116.66 112.21 2woe n ARG 181 Ca 0.00 -0.25 0.01 0.00 -0.77 0.00 0.00 57.85 56.83 2woe n ARG 181 Cb 0.00 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 29.94 2woe n ARG 181 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2woe n GLY 182 N 1.45 -1.40 0.28 -0.13 0.00 -1.24 -3.02 105.19 101.13 2woe n GLY 182 Ca 0.07 -1.52 0.09 0.00 0.00 0.00 0.00 46.02 44.66 2woe n GLY 182 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2woe h MET 183 N -0.05 0.08 -0.33 1.61 1.85 -1.96 -2.62 114.93 113.52 2woe h MET 183 Ca 0.00 -0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.11 2woe h MET 183 Cb 0.05 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.03 2woe h MET 183 CO 0.00 0.06 0.14 -0.22 -0.40 0.00 0.00 176.91 176.49 2woe h LYS 184 N 0.09 0.30 -0.37 0.39 3.64 -2.01 0.16 116.57 118.77 2woe h LYS 184 Ca 0.05 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2woe h LYS 184 Cb 0.10 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2woe h LYS 184 CO -0.01 0.20 0.03 0.00 -2.27 0.00 0.00 179.45 177.40 2woe h ALA 185 N 1.18 1.38 -0.26 5.00 0.00 -1.38 -2.39 119.26 122.78 2woe h ALA 185 Ca 0.14 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2woe h ALA 185 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2woe h ALA 185 CO -0.12 0.44 -0.27 0.00 0.00 0.00 0.00 179.25 179.30 2woe h ARG 187 N 0.45 1.03 -0.62 0.00 3.08 -0.24 0.82 114.38 118.91 2woe h ARG 187 Ca 0.06 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 2woe h ARG 187 Cb 0.71 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2woe h ARG 187 CO 0.05 0.80 0.13 0.93 -1.07 0.00 0.00 179.97 180.81 2woe h GLU 188 N 1.01 1.01 -0.05 0.04 5.08 -1.30 0.11 114.58 120.48 2woe h GLU 188 Ca 0.25 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2woe h GLU 188 Cb 0.10 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 2woe h GLU 188 CO -0.03 0.93 0.01 1.49 -1.00 0.00 0.00 179.01 180.41 2woe h GLU 189 N 0.93 0.08 -0.67 2.33 4.57 -1.07 -1.00 114.58 119.75 2woe h GLU 189 Ca 0.19 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.36 2woe h GLU 189 Cb 0.39 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 2woe h GLU 189 CO 0.01 0.28 0.44 0.00 -1.18 0.00 0.00 179.01 178.56 2woe h ALA 190 N 0.80 1.52 -0.21 2.92 0.00 -0.77 -2.02 119.26 121.50 2woe h ALA 190 Ca 0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2woe h ALA 190 Cb 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2woe h ALA 190 CO 0.00 0.45 -0.26 -0.97 0.00 0.00 0.00 179.25 178.46 2woe h ASN 191 N 0.91 0.40 -0.62 0.00 -1.24 -0.71 -1.61 115.58 112.71 2woe h ASN 191 Ca 0.25 -0.13 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 2woe h ASN 191 Cb -0.10 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 38.81 2woe h ASN 191 CO -0.05 0.66 0.36 0.03 -1.29 0.00 0.00 177.43 177.14 2woe h ARG 192 N 0.35 0.86 -0.14 6.67 3.08 -0.51 -1.29 114.38 123.41 2woe h ARG 192 Ca 0.05 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2woe h ARG 192 Cb 0.65 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2woe h ARG 192 CO 0.05 0.64 0.09 1.25 -1.07 0.00 0.00 179.97 180.92 2woe h LEU 193 N 0.85 0.15 -1.14 3.04 5.85 -0.95 -0.84 115.31 122.28 2woe h LEU 193 Ca 0.22 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 2woe h LEU 193 Cb 0.01 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2woe h LEU 193 CO -0.04 0.11 0.31 0.58 -0.34 0.00 0.00 178.44 179.06 2woe h VAL 194 N 0.18 1.21 -0.18 1.05 2.07 -1.20 0.81 116.25 120.19 2woe h VAL 194 Ca 0.05 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 2woe h VAL 194 Cb -0.02 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2woe h VAL 194 CO -0.01 0.25 -0.34 0.45 0.02 0.00 0.00 177.57 177.94 2woe h HIS 195 N 0.91 0.42 -0.13 1.57 3.86 -1.01 -2.51 115.15 118.27 2woe h HIS 195 Ca 0.22 -0.10 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 2woe h HIS 195 Cb 0.09 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2woe h HIS 195 CO 0.01 0.67 -0.32 0.37 0.86 0.00 0.00 177.93 179.52 2woe h GLN 196 N 0.32 0.44 -3.08 2.45 4.15 -0.52 -3.42 115.11 115.45 2woe h GLN 196 Ca 0.04 -0.31 -0.55 0.00 0.77 0.00 0.00 58.65 58.60 2woe h GLN 196 Cb 0.75 0.05 -0.40 0.00 0.21 0.00 0.00 27.48 28.09 2woe h GLN 196 CO 0.06 0.92 -0.77 -1.01 -1.93 0.00 0.00 178.83 176.10 2woe s HIS 197 N -3.91 0.87 0.58 3.99 3.76 0.22 -5.02 115.29 115.78 2woe s HIS 197 Ca -0.14 -1.24 0.28 0.00 -0.15 0.00 0.00 55.06 53.82 2woe s HIS 197 Cb 0.05 -1.22 1.76 0.00 1.11 0.00 0.00 32.58 34.28 2woe s HIS 197 CO 0.79 -0.85 2.23 0.07 -0.85 0.00 0.00 174.74 176.14 2woe h ARG 198 N 8.24 0.00 0.00 1.40 0.11 -1.70 -2.28 114.38 120.15 2woe h ARG 198 Ca -0.17 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.91 2woe h ARG 198 Cb 1.01 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.09 2woe h ARG 198 CO 0.45 0.00 -0.01 -0.44 0.10 0.00 0.00 179.97 180.07 2woe h ASP 199 N 0.00 0.00 0.53 0.08 3.45 -1.94 -1.12 116.42 117.42 2woe h ASP 199 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 2woe h ASP 199 Cb 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 2woe h ASP 199 CO -0.00 0.01 0.00 0.49 -1.57 0.00 0.00 179.24 178.17 2woe n PHE 200 N -3.57 0.00 -1.63 4.55 3.72 -0.86 -4.86 117.46 114.81 2woe n PHE 200 Ca -0.03 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.91 2woe n PHE 200 Cb 0.09 -0.47 -0.03 0.00 -0.94 0.00 0.00 39.48 38.13 2woe n PHE 200 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 2woe n HIS 201 N -1.47 1.78 -0.56 1.38 1.44 -0.43 -4.65 115.22 112.72 2woe n HIS 201 Ca 0.04 0.56 0.00 0.00 -2.01 0.00 0.00 57.72 56.31 2woe n HIS 201 Cb 0.18 -2.37 0.00 0.00 0.12 0.00 0.00 29.99 27.92 2woe n HIS 201 CO 0.00 0.00 0.00 1.97 -2.81 0.00 0.00 176.34 175.50 2woe n PHE 202 N 1.40 0.00 -4.46 -1.40 1.16 -1.26 -4.95 117.46 107.95 2woe n PHE 202 Ca 0.12 -0.12 -0.23 0.00 -1.87 0.00 0.00 57.45 55.35 2woe n PHE 202 Cb 0.30 -0.01 -0.16 0.00 -1.61 0.00 0.00 39.48 37.99 2woe n PHE 202 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 2woe s GLU 203 N -0.25 1.32 0.55 3.97 0.41 -1.26 -2.97 118.70 120.47 2woe s GLU 203 Ca 0.00 -0.33 -0.21 0.00 -0.41 0.00 0.00 54.97 54.02 2woe s GLU 203 Cb 0.00 -1.16 -0.05 0.00 -1.78 0.00 0.00 34.13 31.15 2woe s GLU 203 CO 0.00 0.04 1.24 -1.25 -0.49 0.00 0.00 175.26 174.80 2woe s PRO 204 N 0.55 3.21 -0.00 0.39 0.04 -1.26 -5.09 135.00 132.83 2woe s PRO 204 Ca -0.10 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 2woe s PRO 204 Cb -0.13 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 2woe s PRO 204 CO 0.02 -1.05 1.18 -0.47 0.04 0.00 0.00 177.00 176.72 2woe s TYR 205 N -1.49 3.34 -1.87 0.56 5.04 -1.16 -4.94 117.35 116.83 2woe s TYR 205 Ca 0.72 1.30 0.25 0.00 -2.44 0.00 0.00 57.07 56.90 2woe s TYR 205 Cb -0.33 -3.39 0.39 0.00 0.35 0.00 0.00 41.96 38.99 2woe s TYR 205 CO 0.38 -1.15 1.34 1.63 -1.34 0.00 0.00 175.55 176.40 2woe n LYS 206 N 4.55 0.99 -1.41 4.97 4.76 -1.26 -4.98 118.16 125.78 2woe n LYS 206 Ca 0.10 -0.71 -0.02 0.00 -2.87 0.00 0.00 58.31 54.81 2woe n LYS 206 Cb 0.47 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.17 2woe n LYS 206 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2woe n GLY 207 N 1.38 0.44 3.69 0.72 0.00 -1.26 -5.02 105.19 105.14 2woe n GLY 207 Ca 0.11 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 2woe n GLY 207 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2woe s GLN 208 N -2.86 4.16 0.00 1.61 -1.52 -1.26 -4.97 119.66 114.82 2woe s GLN 208 Ca 0.00 -0.06 0.20 0.00 -1.95 0.00 0.00 55.36 53.54 2woe s GLN 208 Cb 0.00 -3.49 0.32 0.00 -0.22 0.00 0.00 33.01 29.62 2woe s GLN 208 CO 0.00 0.12 1.12 -1.13 -0.25 0.00 0.00 175.29 175.15 2woe n SER 209 N 4.02 0.64 -3.87 5.90 3.41 -1.26 -4.41 113.62 118.05 2woe n SER 209 Ca -0.13 -1.98 -0.30 0.00 -0.26 0.00 0.00 58.87 56.20 2woe n SER 209 Cb 0.52 -0.22 0.24 0.00 -0.26 0.00 0.00 64.21 64.49 2woe n SER 209 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2woe s SER 210 N -1.74 0.97 0.00 4.04 1.04 -1.26 -0.68 113.70 116.07 2woe s SER 210 Ca 0.26 0.68 0.22 0.00 0.48 0.00 0.00 55.95 57.59 2woe s SER 210 Cb 0.29 -0.96 1.13 0.00 0.10 0.00 0.00 66.02 66.58 2woe s SER 210 CO -0.13 -4.10 1.71 0.00 0.98 0.00 0.00 173.24 171.71 2woe n ALA 211 N -4.75 2.15 -1.71 5.32 0.00 -1.26 -3.43 120.51 116.83 2woe n ALA 211 Ca 0.12 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 53.03 2woe n ALA 211 Cb 0.59 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 2woe n ALA 211 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2woe n TYR 212 N -1.27 2.68 -0.12 0.00 9.36 -1.26 -0.99 117.16 125.56 2woe n TYR 212 Ca 0.11 0.04 0.13 0.00 3.32 0.00 0.00 57.90 61.51 2woe n TYR 212 Cb 0.17 -2.67 0.50 0.00 -0.63 0.00 0.00 39.34 36.72 2woe n TYR 212 CO 0.00 0.00 0.00 0.97 0.22 0.00 0.00 176.86 178.05 2woe h ILE 213 N 3.88 0.85 0.15 2.97 6.09 -1.03 0.18 117.51 130.61 2woe h ILE 213 Ca -0.44 -0.14 -0.01 0.00 -1.37 0.00 0.00 64.86 62.90 2woe h ILE 213 Cb 1.21 0.40 0.00 0.00 0.47 0.00 0.00 36.82 38.90 2woe h ILE 213 CO 0.95 0.08 -0.07 0.58 -3.07 0.00 0.00 178.15 176.61 2woe h VAL 214 N 0.42 0.96 -0.48 2.19 2.07 -1.90 0.35 116.25 119.85 2woe h VAL 214 Ca 0.32 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.38 2woe h VAL 214 Cb 0.68 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 2woe h VAL 214 CO -0.09 0.12 0.21 0.44 0.02 0.00 0.00 177.57 178.26 2woe h ASP 215 N -0.45 0.27 -0.16 0.57 5.19 -1.63 -0.37 116.42 119.83 2woe h ASP 215 Ca -0.02 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2woe h ASP 215 Cb 0.35 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 2woe h ASP 215 CO 0.03 0.19 0.08 0.74 -3.12 0.00 0.00 179.24 177.17 2woe h THR 216 N 0.41 1.11 -0.31 0.35 2.02 -0.90 -1.88 112.91 113.72 2woe h THR 216 Ca 0.22 -0.31 -0.12 0.00 0.77 0.00 0.00 66.41 66.97 2woe h THR 216 Cb 0.18 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2woe h THR 216 CO -0.19 0.10 -0.32 0.24 0.37 0.00 0.00 175.52 175.72 2woe h MET 217 N 0.15 0.66 -0.37 6.66 2.86 -0.73 -0.40 114.93 123.76 2woe h MET 217 Ca 0.06 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2woe h MET 217 Cb 0.09 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2woe h MET 217 CO -0.01 0.90 0.24 1.96 1.06 0.00 0.00 176.91 181.05 2woe h GLN 218 N 0.56 0.50 -0.08 1.72 4.20 -0.95 0.01 115.11 121.07 2woe h GLN 218 Ca 0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2woe h GLN 218 Cb 0.82 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 2woe h GLN 218 CO 0.07 0.36 0.02 1.15 -0.67 0.00 0.00 178.83 179.76 2woe h THR 219 N 0.50 1.19 -0.24 -0.54 2.02 -1.21 -1.39 112.91 113.24 2woe h THR 219 Ca 0.14 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 2woe h THR 219 Cb -0.02 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2woe h THR 219 CO -0.03 0.16 0.08 0.58 0.37 0.00 0.00 175.52 176.69 2woe h VAL 220 N -0.08 1.18 -0.18 3.16 2.07 -0.98 -2.18 116.25 119.24 2woe h VAL 220 Ca 0.02 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2woe h VAL 220 Cb 0.24 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2woe h VAL 220 CO 0.00 0.19 -0.04 -0.07 0.02 0.00 0.00 177.57 177.67 2woe h LEU 221 N 0.23 0.35 -0.18 2.57 3.38 -1.04 -0.83 115.31 119.78 2woe h LEU 221 Ca 0.08 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2woe h LEU 221 Cb 0.21 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 2woe h LEU 221 CO -0.00 0.63 -0.26 -0.74 0.09 0.00 0.00 178.44 178.16 2woe h HIS 222 N 0.06 -0.69 -0.04 1.13 2.76 -1.22 -0.66 115.15 116.49 2woe h HIS 222 Ca 0.05 0.04 -0.17 0.00 -2.20 0.00 0.00 60.37 58.08 2woe h HIS 222 Cb 0.48 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 2woe h HIS 222 CO 0.05 -0.34 -0.73 1.88 -1.30 0.00 0.00 177.93 177.50 2woe h TYR 223 N -0.30 0.29 -0.29 5.26 0.05 -1.38 -1.72 116.97 118.88 2woe h TYR 223 Ca 0.12 -0.13 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 2woe h TYR 223 Cb 0.48 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 2woe h TYR 223 CO -0.38 0.86 0.09 -0.92 -1.05 0.00 0.00 178.16 176.76 2woe h TYR 224 N 0.14 0.45 0.00 4.88 3.20 -0.99 -2.87 116.97 121.78 2woe h TYR 224 Ca -0.02 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 2woe h TYR 224 Cb 1.28 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 2woe h TYR 224 CO 0.02 0.48 -0.20 0.74 -1.64 0.00 0.00 178.16 177.56 2woe h PHE 225 N 0.30 0.00 -0.01 -3.82 0.04 -0.99 -3.25 116.94 109.21 2woe h PHE 225 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 2woe h PHE 225 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 2woe h PHE 225 CO 0.00 0.20 -0.35 1.33 -0.60 0.00 0.00 178.31 178.90 2woe n VAL 226 N -3.21 0.00 -4.31 -0.55 0.24 -0.66 -4.94 118.33 104.90 2woe n VAL 226 Ca 0.02 -0.19 -0.25 0.00 -2.04 0.00 0.00 64.34 61.88 2woe n VAL 226 Cb 0.53 0.77 -0.09 0.00 -1.47 0.00 0.00 33.84 33.59 2woe n VAL 226 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2woe s THR 227 N -2.48 2.39 0.00 3.34 -4.23 -1.09 -5.06 115.64 108.51 2woe s THR 227 Ca 0.22 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 2woe s THR 227 Cb 0.19 -2.91 0.02 0.00 1.34 0.00 0.00 72.50 71.14 2woe s THR 227 CO 0.54 -0.09 0.99 -0.90 -0.54 0.00 0.00 174.62 174.62 2woe n ASP 228 N -1.07 0.05 -4.08 3.99 5.75 -1.26 -4.93 116.55 115.00 2woe n ASP 228 Ca -0.03 -1.97 -0.08 0.00 -0.01 0.00 0.00 54.79 52.70 2woe n ASP 228 Cb 0.64 -0.20 -0.10 0.00 -1.03 0.00 0.00 41.12 40.43 2woe n ASP 228 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2woe s THR 229 N 0.00 0.31 0.08 2.12 -4.23 -1.26 -5.07 115.64 107.60 2woe s THR 229 Ca 0.02 -1.62 -0.27 0.00 -1.18 0.00 0.00 61.69 58.65 2woe s THR 229 Cb 0.02 -1.25 -0.16 0.00 1.34 0.00 0.00 72.50 72.45 2woe s THR 229 CO -0.01 -0.84 1.69 0.15 -0.54 0.00 0.00 174.62 175.08 2woe h PHE 230 N 3.49 -0.34 -0.69 3.99 3.57 -1.88 -1.89 116.94 123.19 2woe h PHE 230 Ca -0.34 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.16 2woe h PHE 230 Cb 1.16 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 2woe h PHE 230 CO 0.57 -0.21 0.46 -0.22 -2.23 0.00 0.00 178.31 176.68 2woe h LYS 231 N -0.35 0.91 -0.25 1.11 3.64 -1.98 -1.49 116.57 118.15 2woe h LYS 231 Ca -0.03 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.15 2woe h LYS 231 Cb 0.28 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2woe h LYS 231 CO 0.05 0.61 -0.41 0.66 -2.27 0.00 0.00 179.45 178.09 2woe h SER 232 N 0.94 0.79 -0.24 4.20 4.64 -1.96 -0.91 113.55 121.00 2woe h SER 232 Ca 0.25 -0.52 0.06 0.00 -0.47 0.00 0.00 61.79 61.11 2woe h SER 232 Cb -0.10 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 61.70 2woe h SER 232 CO -0.05 1.16 -0.11 0.00 -0.87 0.00 0.00 176.83 176.96 2woe h LEU 234 N -0.08 0.37 -0.36 0.00 -0.00 -1.18 -1.62 115.31 112.45 2woe h LEU 234 Ca 0.13 -0.43 0.05 0.00 -0.00 0.00 0.00 57.88 57.62 2woe h LEU 234 Cb 0.28 -0.10 -0.04 0.00 -0.00 0.00 0.00 40.66 40.79 2woe h LEU 234 CO -0.30 0.73 0.11 0.40 -0.00 0.00 0.00 178.44 179.37 2woe h ILE 235 N 0.02 0.87 -0.64 1.22 2.04 -1.12 -0.41 117.51 119.50 2woe h ILE 235 Ca 0.03 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 2woe h ILE 235 Cb 0.60 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2woe h ILE 235 CO 0.03 0.04 0.09 1.56 0.00 0.00 0.00 178.15 179.88 2woe h GLN 236 N 0.24 1.05 0.19 2.37 4.20 -1.09 -1.74 115.11 120.34 2woe h GLN 236 Ca 0.16 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2woe h GLN 236 Cb 0.16 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2woe h GLN 236 CO -0.19 0.97 -0.09 1.15 -0.67 0.00 0.00 178.83 180.00 2woe h THR 237 N 0.98 0.91 0.00 -0.54 2.02 -0.94 -3.05 112.91 112.29 2woe h THR 237 Ca 0.19 -0.70 -0.10 0.00 0.77 0.00 0.00 66.41 66.57 2woe h THR 237 Cb 0.43 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2woe h THR 237 CO 0.01 0.15 -0.50 -0.37 0.37 0.00 0.00 175.52 175.19 2woe h VAL 238 N -0.62 1.34 0.00 3.16 -1.51 -1.05 -2.49 116.25 115.08 2woe h VAL 238 Ca -0.03 -1.71 0.00 0.00 -1.23 0.00 0.00 66.70 63.73 2woe h VAL 238 Cb 0.45 1.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 2woe h VAL 238 CO 0.04 0.49 0.00 0.59 -1.23 0.00 0.00 177.57 177.46 2woe n ASN 239 N -3.93 0.00 0.22 4.19 3.02 -0.66 -1.69 115.26 116.41 2woe n ASN 239 Ca -0.01 0.30 0.08 0.00 -0.03 0.00 0.00 54.58 54.92 2woe n ASN 239 Cb 0.52 -0.42 0.47 0.00 -0.61 0.00 0.00 39.78 39.73 2woe n ASN 239 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2woe h GLN 240 N 0.00 0.00 0.00 3.52 5.75 -1.33 -3.41 115.11 119.64 2woe h GLN 240 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2woe h GLN 240 Cb 0.31 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.86 2woe h GLN 240 CO 0.00 0.27 0.00 0.41 -2.65 0.00 0.00 178.83 176.86 2woe n GLY 241 N -0.08 -0.94 7.00 2.39 0.00 -0.68 -3.44 105.19 109.44 2woe n GLY 241 Ca -0.01 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2woe n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2woe n GLY 242 N 0.00 1.60 2.65 -0.02 0.00 0.10 -3.99 105.19 105.53 2woe n GLY 242 Ca 0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2woe n GLY 242 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2woe n ASP 243 N 5.83 6.38 0.21 1.61 2.03 0.14 -0.25 116.55 132.49 2woe n ASP 243 Ca 0.00 -3.03 0.08 0.00 0.52 0.00 0.00 54.79 52.36 2woe n ASP 243 Cb 0.00 -1.47 0.44 0.00 -0.72 0.00 0.00 41.12 39.37 2woe n ASP 243 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2woe h ALA 244 N 5.30 1.06 -0.91 -1.67 0.00 -1.80 -2.18 119.26 119.05 2woe h ALA 244 Ca 0.58 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.28 2woe h ALA 244 Cb 0.48 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2woe h ALA 244 CO 1.63 0.35 0.60 0.38 0.00 0.00 0.00 179.25 182.20 2woe h ASP 245 N 0.00 0.97 0.09 0.00 -0.00 -1.82 0.28 116.42 115.94 2woe h ASP 245 Ca -0.00 -0.01 -0.35 0.00 -0.00 0.00 0.00 57.03 56.67 2woe h ASP 245 Cb 0.75 -0.22 -0.03 0.00 -0.00 0.00 0.00 39.33 39.84 2woe h ASP 245 CO 0.04 0.65 -1.95 0.41 -0.00 0.00 0.00 179.24 178.39 2woe n THR 246 N -4.45 1.71 -0.37 1.15 -1.04 -0.86 -1.00 114.28 109.41 2woe n THR 246 Ca 0.12 -0.54 -0.02 0.00 -2.04 0.00 0.00 64.05 61.57 2woe n THR 246 Cb 0.13 -1.75 0.11 0.00 -1.82 0.00 0.00 70.33 66.99 2woe n THR 246 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2woe h THR 247 N -0.13 1.26 -0.19 12.58 1.35 -1.53 -1.06 112.91 125.19 2woe h THR 247 Ca -0.44 -0.47 -0.01 0.00 -0.55 0.00 0.00 66.41 64.93 2woe h THR 247 Cb 1.90 -0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 2woe h THR 247 CO 0.01 0.25 0.06 1.23 -0.25 0.00 0.00 175.52 176.82 2woe h GLY 248 N 1.34 0.31 1.00 5.82 0.00 -1.00 0.25 103.07 110.79 2woe h GLY 248 Ca 0.36 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 2woe h GLY 248 CO -0.08 0.17 0.35 0.00 0.00 0.00 0.00 176.54 176.99 2woe h ALA 249 N 0.88 0.73 -0.17 3.60 0.00 -0.90 0.20 119.26 123.60 2woe h ALA 249 Ca 0.06 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 2woe h ALA 249 Cb 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2woe h ALA 249 CO -0.00 0.21 -0.71 -0.07 0.00 0.00 0.00 179.25 178.67 2woe h LEU 250 N 0.78 0.85 -0.72 0.00 3.38 -1.13 -0.80 115.31 117.66 2woe h LEU 250 Ca 0.21 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2woe h LEU 250 Cb -0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2woe h LEU 250 CO -0.04 1.31 0.38 0.00 0.09 0.00 0.00 178.44 180.19 2woe h ALA 251 N 0.68 0.93 -0.67 1.53 0.00 -0.81 -2.18 119.26 118.74 2woe h ALA 251 Ca -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2woe h ALA 251 Cb 1.32 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2woe h ALA 251 CO 0.14 0.46 0.26 0.78 0.00 0.00 0.00 179.25 180.89 2woe h GLY 252 N 1.00 1.06 0.93 0.00 0.00 -0.43 0.93 103.07 106.56 2woe h GLY 252 Ca 0.25 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2woe h GLY 252 CO -0.04 0.53 -0.13 1.98 0.00 0.00 0.00 176.54 178.88 2woe h MET 253 N 0.97 -0.35 -0.13 4.80 -1.53 -0.90 0.10 114.93 117.89 2woe h MET 253 Ca 0.22 0.02 -0.02 0.00 -3.44 0.00 0.00 59.70 56.49 2woe h MET 253 Cb 0.20 0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.32 2woe h MET 253 CO -0.02 -0.18 0.02 -0.07 0.14 0.00 0.00 176.91 176.80 2woe h LEU 254 N -0.44 0.21 -0.53 3.39 3.38 -1.27 -1.65 115.31 118.40 2woe h LEU 254 Ca -0.04 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 2woe h LEU 254 Cb 0.33 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2woe h LEU 254 CO 0.06 0.41 0.15 0.00 0.09 0.00 0.00 178.44 179.15 2woe h ALA 255 N 0.80 0.70 -0.60 1.53 0.00 -0.84 -1.68 119.26 119.16 2woe h ALA 255 Ca 0.04 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.81 2woe h ALA 255 Cb 0.30 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2woe h ALA 255 CO 0.00 0.37 0.30 0.78 0.00 0.00 0.00 179.25 180.71 2woe h GLY 256 N 0.74 0.87 2.00 0.00 0.00 -0.75 0.28 103.07 106.20 2woe h GLY 256 Ca 0.17 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 2woe h GLY 256 CO -0.00 0.10 -0.25 0.00 0.00 0.00 0.00 176.54 176.38 2woe h ALA 257 N 1.34 1.55 0.00 3.60 0.00 -1.06 0.15 119.26 124.85 2woe h ALA 257 Ca 0.28 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2woe h ALA 257 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2woe h ALA 257 CO -0.20 0.32 -0.39 1.15 0.00 0.00 0.00 179.25 180.12 2woe h THR 258 N 0.00 1.26 0.00 0.00 2.02 -0.57 -3.41 112.91 112.21 2woe h THR 258 Ca -0.00 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.09 2woe h THR 258 Cb 0.46 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 2woe h THR 258 CO 0.03 0.43 -1.42 -1.22 0.37 0.00 0.00 175.52 173.71 2woe n TYR 259 N -4.58 0.26 0.00 3.16 4.01 0.92 -4.91 117.16 116.03 2woe n TYR 259 Ca -0.15 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2woe n TYR 259 Cb 0.48 -0.52 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 2woe n TYR 259 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2woe n GLY 260 N 1.30 0.19 0.32 2.72 0.00 0.04 -4.36 105.19 105.40 2woe n GLY 260 Ca -0.01 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.44 2woe n GLY 260 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2woe h VAL 261 N 0.00 0.93 0.00 1.61 3.04 -1.59 -2.29 116.25 117.95 2woe h VAL 261 Ca 0.00 -0.07 -0.01 0.00 -1.01 0.00 0.00 66.70 65.62 2woe h VAL 261 Cb 0.00 0.72 -0.00 0.00 -2.01 0.00 0.00 31.29 30.00 2woe h VAL 261 CO 0.00 0.03 -0.02 -0.78 -1.01 0.00 0.00 177.57 175.79 2woe h ASP 262 N 0.19 0.00 -0.10 3.17 3.58 -1.88 -1.62 116.42 119.77 2woe h ASP 262 Ca 0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 2woe h ASP 262 Cb 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2woe h ASP 262 CO -0.02 0.02 0.00 -0.67 -2.88 0.00 0.00 179.24 175.69 2woe n ASP 263 N -3.19 1.50 -4.65 2.28 2.03 -0.86 -4.80 116.55 108.86 2woe n ASP 263 Ca -0.01 -1.60 -0.42 0.00 0.52 0.00 0.00 54.79 53.28 2woe n ASP 263 Cb 0.20 -0.06 -0.04 0.00 -0.72 0.00 0.00 41.12 40.51 2woe n ASP 263 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2woe s ILE 264 N -1.88 4.81 -0.07 5.18 1.01 -0.61 -4.32 121.20 125.32 2woe s ILE 264 Ca 0.35 1.67 -0.38 0.00 0.00 0.00 0.00 60.65 62.29 2woe s ILE 264 Cb 0.19 -4.16 -0.16 0.00 0.01 0.00 0.00 42.46 38.34 2woe s ILE 264 CO 0.29 -0.08 1.53 -2.65 0.00 0.00 0.00 174.94 174.04 2woe n PRO 265 N 5.93 1.22 -0.07 2.79 -0.02 -1.26 -4.83 135.00 138.75 2woe n PRO 265 Ca 0.07 0.44 0.10 0.00 -2.02 0.00 0.00 63.50 62.09 2woe n PRO 265 Cb 0.47 -2.12 0.48 0.00 -0.02 0.00 0.00 33.50 32.32 2woe n PRO 265 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2woe h SER 266 N 5.87 0.41 0.31 2.55 4.64 -1.94 -0.99 113.55 124.40 2woe h SER 266 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2woe h SER 266 Cb 1.32 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2woe h SER 266 CO 0.86 0.26 0.00 1.23 -0.87 0.00 0.00 176.83 178.31 2woe h GLY 267 N 0.46 0.00 0.00 -0.77 0.00 -1.99 0.31 103.07 101.07 2woe h GLY 267 Ca 0.26 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.35 2woe h GLY 267 CO -0.07 0.00 -1.41 0.79 0.00 0.00 0.00 176.54 175.85 2woe n TRP 268 N -2.97 0.75 -0.27 5.60 8.01 -0.45 -4.40 117.44 123.71 2woe n TRP 268 Ca -0.02 0.32 0.04 0.00 -1.31 0.00 0.00 57.50 56.54 2woe n TRP 268 Cb 0.14 -1.01 0.18 0.00 -2.01 0.00 0.00 31.31 28.61 2woe n TRP 268 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 2woe h LEU 269 N -1.00 0.45 -0.37 -0.99 3.38 -1.21 -1.59 115.31 113.99 2woe h LEU 269 Ca -0.36 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2woe h LEU 269 Cb 1.24 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2woe h LEU 269 CO -0.22 0.22 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 2woe n SER 270 N -4.89 0.41 0.04 -0.43 3.41 0.08 -2.15 113.62 110.09 2woe n SER 270 Ca 0.14 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.47 2woe n SER 270 Cb 0.36 -0.68 0.34 0.00 -0.26 0.00 0.00 64.21 63.97 2woe n SER 270 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2woe n LYS 271 N -1.94 0.14 -1.98 4.33 4.76 -0.60 -4.85 118.16 118.02 2woe n LYS 271 Ca 0.03 0.07 -0.40 0.00 -2.87 0.00 0.00 58.31 55.14 2woe n LYS 271 Cb 0.23 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 2woe n LYS 271 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2woe s LEU 272 N -3.68 4.19 0.27 -0.35 1.43 -0.91 -4.15 118.68 115.47 2woe s LEU 272 Ca 0.10 2.73 -0.30 0.00 -1.03 0.00 0.00 54.13 55.63 2woe s LEU 272 Cb 0.16 -3.91 -0.13 0.00 0.03 0.00 0.00 46.19 42.34 2woe s LEU 272 CO 0.65 -0.94 1.46 -0.67 0.23 0.00 0.00 176.35 177.07 2woe n ASP 273 N 0.04 3.15 -0.05 2.29 2.03 -1.26 -4.83 116.55 117.91 2woe n ASP 273 Ca 0.04 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.50 2woe n ASP 273 Cb 0.43 -1.49 0.29 0.00 -0.72 0.00 0.00 41.12 39.63 2woe n ASP 273 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2woe h MET 274 N 4.23 0.64 -0.75 -0.67 2.86 -1.93 -0.79 114.93 118.53 2woe h MET 274 Ca -0.46 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.04 2woe h MET 274 Cb 1.26 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.77 2woe h MET 274 CO 0.75 0.57 0.35 0.87 1.06 0.00 0.00 176.91 180.51 2woe h LYS 275 N 0.63 1.08 -0.05 1.72 1.57 -1.99 -0.13 116.57 119.41 2woe h LYS 275 Ca 0.15 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2woe h LYS 275 Cb 0.21 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2woe h LYS 275 CO -0.01 0.86 0.02 0.28 -0.57 0.00 0.00 179.45 180.02 2woe h VAL 276 N 1.05 1.16 -0.75 0.50 2.07 -1.80 -1.61 116.25 116.88 2woe h VAL 276 Ca 0.25 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.34 2woe h VAL 276 Cb 0.14 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 2woe h VAL 276 CO -0.03 0.13 0.47 -0.08 0.02 0.00 0.00 177.57 178.08 2woe h GLU 277 N -0.11 0.89 -0.54 1.57 4.81 -1.03 -1.21 114.58 118.96 2woe h GLU 277 Ca 0.02 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2woe h GLU 277 Cb 0.19 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2woe h GLU 277 CO -0.00 0.59 0.23 -0.09 -0.73 0.00 0.00 179.01 179.01 2woe h ARG 278 N 0.91 0.80 -0.54 1.92 2.43 -0.98 -1.98 114.38 116.95 2woe h ARG 278 Ca 0.30 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 59.24 2woe h ARG 278 Cb 0.03 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2woe h ARG 278 CO -0.11 0.68 -0.04 1.49 -1.51 0.00 0.00 179.97 180.48 2woe h GLU 279 N 0.73 0.98 -0.34 0.20 4.57 -0.90 -1.01 114.58 118.82 2woe h GLU 279 Ca 0.18 -0.33 0.05 0.00 -1.18 0.00 0.00 59.36 58.07 2woe h GLU 279 Cb 0.17 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 2woe h GLU 279 CO -0.02 1.01 0.09 0.82 -1.18 0.00 0.00 179.01 179.73 2woe h ILE 280 N 0.86 0.86 -0.65 2.32 2.04 -1.08 -0.50 117.51 121.36 2woe h ILE 280 Ca 0.15 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 2woe h ILE 280 Cb 0.59 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2woe h ILE 280 CO 0.04 0.04 0.38 0.03 0.00 0.00 0.00 178.15 178.64 2woe h ARG 281 N 0.21 0.89 -0.20 2.37 3.08 -1.14 -0.01 114.38 119.60 2woe h ARG 281 Ca 0.16 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.15 2woe h ARG 281 Cb 0.16 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2woe h ARG 281 CO -0.19 0.65 -0.00 -0.09 -1.07 0.00 0.00 179.97 179.27 2woe h ARG 282 N 0.89 0.06 -0.29 0.04 2.43 -0.88 -2.17 114.38 114.46 2woe h ARG 282 Ca 0.23 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.29 2woe h ARG 282 Cb -0.00 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2woe h ARG 282 CO -0.04 0.04 -0.28 1.96 -1.51 0.00 0.00 179.97 180.14 2woe h GLN 283 N 0.06 0.60 -0.42 0.20 4.20 -0.76 -0.33 115.11 118.66 2woe h GLN 283 Ca 0.09 -0.25 0.02 0.00 0.06 0.00 0.00 58.65 58.57 2woe h GLN 283 Cb 0.12 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 2woe h GLN 283 CO -0.16 0.82 0.25 0.28 -0.67 0.00 0.00 178.83 179.35 2woe h VAL 284 N 0.52 1.05 -0.46 -0.54 2.07 -0.87 0.24 116.25 118.26 2woe h VAL 284 Ca 0.07 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2woe h VAL 284 Cb 0.75 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2woe h VAL 284 CO 0.06 0.09 0.15 0.44 0.02 0.00 0.00 177.57 178.34 2woe h ASP 285 N 0.50 0.66 -0.40 0.57 3.32 -1.06 -1.32 116.42 118.69 2woe h ASP 285 Ca 0.16 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 2woe h ASP 285 Cb 0.00 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2woe h ASP 285 CO -0.07 0.68 0.04 0.00 -1.72 0.00 0.00 179.24 178.17 2woe h ALA 286 N 1.01 0.54 -0.37 3.45 0.00 -0.80 -1.96 119.26 121.13 2woe h ALA 286 Ca 0.15 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2woe h ALA 286 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2woe h ALA 286 CO -0.01 0.27 -0.31 -0.07 0.00 0.00 0.00 179.25 179.13 2woe h LEU 287 N 0.52 0.84 -0.97 0.00 3.38 -0.50 -1.44 115.31 117.15 2woe h LEU 287 Ca 0.12 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 2woe h LEU 287 Cb 0.41 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2woe h LEU 287 CO 0.01 1.09 -0.23 -0.07 0.09 0.00 0.00 178.44 179.32 2woe h LEU 288 N 0.68 0.47 -0.65 1.67 3.38 -1.24 -0.32 115.31 119.30 2woe h LEU 288 Ca 0.07 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 2woe h LEU 288 Cb 0.86 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2woe h LEU 288 CO 0.08 0.71 -0.26 0.00 0.09 0.00 0.00 178.44 179.06 2woe h ALA 289 N 1.33 0.83 -0.17 1.53 0.00 -1.18 0.56 119.26 122.16 2woe h ALA 289 Ca 0.06 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 2woe h ALA 289 Cb 0.64 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2woe h ALA 289 CO 0.05 0.64 -0.21 1.25 0.00 0.00 0.00 179.25 180.98 2woe h LEU 290 N 0.67 0.29 -0.79 0.00 5.85 -1.03 -2.17 115.31 118.13 2woe h LEU 290 Ca 0.09 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2woe h LEU 290 Cb 0.78 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2woe h LEU 290 CO 0.06 0.51 -0.44 0.00 -0.34 0.00 0.00 178.44 178.23 2woe h ALA 291 N 1.52 0.94 0.00 1.25 0.00 -0.71 -3.48 119.26 118.78 2woe h ALA 291 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2woe h ALA 291 Cb 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2woe h ALA 291 CO 0.04 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.25 2woe n GLY 292 N 0.36 1.18 0.00 0.00 0.00 -0.34 -3.31 105.19 103.08 2woe n GLY 292 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2woe n GLY 292 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36