#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 1.86 0.96 1.61 0.04 -1.26 -5.05 135.00 133.16 2woe s PRO 4 Ca 0.00 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.08 2woe s PRO 4 Cb 0.00 -1.85 0.16 0.00 0.04 0.00 0.00 34.50 32.85 2woe s PRO 4 CO 0.00 -1.92 1.12 -1.54 0.04 0.00 0.00 177.00 174.69 2woe s SER 5 N -3.28 3.05 0.19 6.66 1.04 -1.26 -4.81 113.70 115.30 2woe s SER 5 Ca 0.62 1.05 -0.12 0.00 0.48 0.00 0.00 55.95 57.99 2woe s SER 5 Cb -0.18 -1.67 0.11 0.00 0.10 0.00 0.00 66.02 64.38 2woe s SER 5 CO 0.57 -2.85 1.84 0.58 0.98 0.00 0.00 173.24 174.36 2woe h VAL 6 N -1.70 1.19 -0.59 5.02 2.07 -1.97 -1.20 116.25 119.07 2woe h VAL 6 Ca -0.53 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 2woe h VAL 6 Cb 1.33 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2woe h VAL 6 CO 0.60 0.19 0.31 -0.74 0.02 0.00 0.00 177.57 177.95 2woe h HIS 7 N 0.90 0.83 -0.01 1.57 -0.00 -1.96 -0.25 115.15 116.22 2woe h HIS 7 Ca 0.24 -0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.48 2woe h HIS 7 Cb -0.05 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.09 2woe h HIS 7 CO -0.02 0.62 -0.47 -0.44 -0.00 0.00 0.00 177.93 177.62 2woe h ASP 8 N 0.80 0.03 -0.13 3.26 3.32 -1.87 0.23 116.42 122.06 2woe h ASP 8 Ca 0.21 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.08 2woe h ASP 8 Cb 0.08 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.63 2woe h ASP 8 CO -0.03 0.49 -0.58 0.03 -1.72 0.00 0.00 179.24 177.44 2woe h ARG 9 N 0.02 0.63 -0.44 3.56 3.08 -0.90 0.91 114.38 121.23 2woe h ARG 9 Ca -0.00 -0.49 -0.02 0.00 0.07 0.00 0.00 59.98 59.53 2woe h ARG 9 Cb 0.84 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 2woe h ARG 9 CO 0.06 1.12 0.20 0.00 -1.07 0.00 0.00 179.97 180.28 2woe h ALA 10 N 0.51 0.57 -0.40 0.04 0.00 -0.80 0.12 119.26 119.30 2woe h ALA 10 Ca -0.03 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2woe h ALA 10 Cb 1.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2woe h ALA 10 CO 0.12 0.14 -0.06 1.25 0.00 0.00 0.00 179.25 180.70 2woe h LEU 11 N 0.57 0.75 -0.66 0.00 5.85 -0.60 -2.56 115.31 118.65 2woe h LEU 11 Ca 0.15 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.59 2woe h LEU 11 Cb 0.13 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 2woe h LEU 11 CO -0.02 0.92 0.36 1.23 -0.34 0.00 0.00 178.44 180.59 2woe h GLY 12 N 0.56 0.97 0.96 3.75 0.00 -0.67 -0.23 103.07 108.41 2woe h GLY 12 Ca 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 2woe h GLY 12 CO 0.03 0.14 0.07 0.00 0.00 0.00 0.00 176.54 176.79 2woe h ALA 13 N 1.35 0.15 0.09 3.60 0.00 -0.60 0.25 119.26 124.10 2woe h ALA 13 Ca 0.30 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 2woe h ALA 13 Cb 0.20 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.96 2woe h ALA 13 CO -0.19 -0.34 -0.62 0.35 0.00 0.00 0.00 179.25 178.46 2woe h PHE 14 N 0.12 0.45 -0.13 0.00 -0.00 -1.31 -0.64 116.94 115.43 2woe h PHE 14 Ca 0.04 -0.31 -0.08 0.00 -0.00 0.00 0.00 57.97 57.62 2woe h PHE 14 Cb 0.03 -0.03 -0.01 0.00 -0.00 0.00 0.00 35.95 35.95 2woe h PHE 14 CO -0.05 1.21 -0.28 -0.07 -0.00 0.00 0.00 178.31 179.11 2woe h LEU 15 N -0.44 0.23 -0.30 0.59 3.38 -1.13 -2.31 115.31 115.33 2woe h LEU 15 Ca -0.10 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2woe h LEU 15 Cb 1.45 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2woe h LEU 15 CO 0.12 0.52 0.11 1.23 0.09 0.00 0.00 178.44 180.51 2woe h GLY 16 N 1.01 0.49 0.06 0.83 0.00 -0.46 -0.72 103.07 104.28 2woe h GLY 16 Ca 0.03 -0.27 0.09 0.00 0.00 0.00 0.00 47.33 47.17 2woe h GLY 16 CO 0.04 0.26 -0.16 -2.00 0.00 0.00 0.00 176.54 174.68 2woe h LEU 17 N 0.33 -0.56 0.05 3.11 5.85 -0.95 0.87 115.31 124.01 2woe h LEU 17 Ca 0.10 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.98 2woe h LEU 17 Cb 0.20 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2woe h LEU 17 CO -0.01 -0.20 -0.12 0.00 -0.34 0.00 0.00 178.44 177.78 2woe h ALA 18 N 1.26 -0.17 -0.40 1.25 0.00 -1.24 -0.29 119.26 119.67 2woe h ALA 18 Ca 0.20 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.12 2woe h ALA 18 Cb 0.39 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2woe h ALA 18 CO -0.47 -0.62 0.22 0.28 0.00 0.00 0.00 179.25 178.66 2woe h VAL 19 N -0.22 1.02 -0.72 0.00 2.07 -0.93 -0.62 116.25 116.85 2woe h VAL 19 Ca 0.03 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2woe h VAL 19 Cb 0.25 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2woe h VAL 19 CO -0.08 0.08 0.40 1.23 0.02 0.00 0.00 177.57 179.22 2woe h GLY 20 N 0.45 1.07 0.77 2.17 0.00 -0.64 0.11 103.07 107.00 2woe h GLY 20 Ca 0.16 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.02 2woe h GLY 20 CO -0.09 0.46 -0.16 -1.80 0.00 0.00 0.00 176.54 174.95 2woe h ASP 21 N 0.99 -0.45 -0.55 0.19 3.58 -0.75 -1.13 116.42 118.30 2woe h ASP 21 Ca 0.25 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.70 2woe h ASP 21 Cb 0.03 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 2woe h ASP 21 CO -0.04 -0.24 0.13 0.00 -2.88 0.00 0.00 179.24 176.20 2woe h ALA 22 N 0.47 0.73 0.03 -0.78 0.00 -0.69 -0.72 119.26 118.31 2woe h ALA 22 Ca 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2woe h ALA 22 Cb 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2woe h ALA 22 CO -0.06 0.43 -0.02 1.25 0.00 0.00 0.00 179.25 180.86 2woe h LEU 23 N 0.79 -0.04 -0.95 0.00 5.85 -0.70 -3.20 115.31 117.05 2woe h LEU 23 Ca 0.17 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 2woe h LEU 23 Cb 0.35 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2woe h LEU 23 CO 0.00 0.15 -0.50 1.23 -0.34 0.00 0.00 178.44 178.99 2woe h GLY 24 N -0.22 0.07 0.86 3.75 0.00 -1.08 -3.24 103.07 103.20 2woe h GLY 24 Ca -0.00 -0.07 0.14 0.00 0.00 0.00 0.00 47.33 47.39 2woe h GLY 24 CO 0.01 0.06 0.43 0.00 0.00 0.00 0.00 176.54 177.04 2woe h ALA 25 N 1.45 2.24 -0.35 3.60 0.00 -1.12 -0.58 119.26 124.50 2woe h ALA 25 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2woe h ALA 25 Cb 0.90 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2woe h ALA 25 CO 0.07 -0.41 0.14 1.15 0.00 0.00 0.00 179.25 180.20 2woe h THR 26 N 0.26 1.14 -0.17 0.00 2.02 -1.69 -3.09 112.91 111.37 2woe h THR 26 Ca 0.30 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2woe h THR 26 Cb 0.84 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2woe h THR 26 CO -0.07 0.16 0.00 1.33 0.37 0.00 0.00 175.52 177.32 2woe n VAL 27 N -4.40 1.64 -1.88 3.16 0.24 -0.28 -3.76 118.33 113.06 2woe n VAL 27 Ca 0.02 -1.59 -0.41 0.00 -2.04 0.00 0.00 64.34 60.32 2woe n VAL 27 Cb 0.14 0.07 -0.01 0.00 -1.47 0.00 0.00 33.84 32.57 2woe n VAL 27 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2woe s GLU 28 N -2.05 4.18 0.00 7.34 2.12 -0.89 -2.00 118.70 127.39 2woe s GLU 28 Ca 0.27 2.47 0.00 0.00 0.36 0.00 0.00 54.97 58.08 2woe s GLU 28 Cb 0.21 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.58 2woe s GLU 28 CO 0.08 -0.49 0.00 1.19 -0.54 0.00 0.00 175.26 175.50 2woe n PHE 29 N 1.30 0.00 -4.02 5.30 3.01 0.10 -4.72 117.46 118.43 2woe n PHE 29 Ca 0.04 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.16 2woe n PHE 29 Cb 0.39 -0.69 -0.06 0.00 -0.01 0.00 0.00 39.48 39.11 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 -0.68 3.22 0.61 -1.08 -1.94 -0.85 -4.88 119.30 113.70 2woe s MET 30 Ca 0.00 -0.41 -0.12 0.00 -1.71 0.00 0.00 55.69 53.45 2woe s MET 30 Cb 0.00 -2.96 -0.04 0.00 2.01 0.00 0.00 34.83 33.83 2woe s MET 30 CO 0.00 0.66 1.03 0.95 -0.01 0.00 0.00 175.02 177.65 2woe s THR 31 N -1.23 4.60 0.26 2.05 -4.23 -1.26 -1.15 115.64 114.67 2woe s THR 31 Ca 0.24 0.92 -0.04 0.00 -1.18 0.00 0.00 61.69 61.62 2woe s THR 31 Cb -0.12 -3.79 0.31 0.00 1.34 0.00 0.00 72.50 70.24 2woe s THR 31 CO 0.15 -1.03 1.63 0.50 -0.54 0.00 0.00 174.62 175.32 2woe h LYS 32 N -0.13 0.10 -0.55 3.99 3.64 -1.78 -1.01 116.57 120.83 2woe h LYS 32 Ca -0.45 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 58.84 2woe h LYS 32 Cb 1.19 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 2woe h LYS 32 CO 0.61 0.07 -0.03 0.78 -2.27 0.00 0.00 179.45 178.61 2woe h GLY 33 N 0.10 1.04 1.43 5.01 0.00 -1.91 -1.68 103.07 107.07 2woe h GLY 33 Ca 0.47 -0.76 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 2woe h GLY 33 CO -0.71 0.70 -0.19 0.83 0.00 0.00 0.00 176.54 177.17 2woe h GLU 34 N 0.88 0.67 -0.15 4.80 5.08 -1.71 -1.47 114.58 122.68 2woe h GLU 34 Ca 0.16 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2woe h GLU 34 Cb 0.56 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2woe h GLU 34 CO 0.03 0.82 -0.02 0.82 -1.00 0.00 0.00 179.01 179.65 2woe h ILE 35 N 0.60 1.28 -0.61 3.13 2.04 -1.10 -1.60 117.51 121.24 2woe h ILE 35 Ca 0.09 -0.94 0.09 0.00 1.00 0.00 0.00 64.86 65.10 2woe h ILE 35 Cb 0.65 1.61 -0.07 0.00 -0.74 0.00 0.00 36.82 38.27 2woe h ILE 35 CO 0.05 0.28 0.25 0.00 0.00 0.00 0.00 178.15 178.72 2woe h ALA 36 N 0.72 0.80 -0.29 1.87 0.00 -1.21 0.52 119.26 121.67 2woe h ALA 36 Ca 0.04 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 2woe h ALA 36 Cb 0.44 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2woe h ALA 36 CO 0.01 -0.16 -0.38 0.37 0.00 0.00 0.00 179.25 179.09 2woe h GLN 37 N 0.45 0.67 0.06 0.00 4.15 -1.20 -1.16 115.11 118.08 2woe h GLN 37 Ca 0.30 -0.34 -0.32 0.00 0.77 0.00 0.00 58.65 59.06 2woe h GLN 37 Cb 0.35 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 2woe h GLN 37 CO -0.28 0.94 -1.82 0.37 -1.93 0.00 0.00 178.83 176.11 2woe h GLN 38 N 0.56 0.12 0.00 1.69 4.15 -0.89 -3.42 115.11 117.32 2woe h GLN 38 Ca 0.05 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 2woe h GLN 38 Cb 0.90 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.67 2woe h GLN 38 CO 0.08 0.82 -1.20 0.66 -1.93 0.00 0.00 178.83 177.26 2woe n TYR 39 N -3.25 0.00 0.00 3.99 4.01 0.18 -5.05 117.16 117.04 2woe n TYR 39 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 2woe n TYR 39 Cb 1.05 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.97 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 2.34 2.10 2.95 2.72 0.00 -0.44 -4.45 105.19 110.42 2woe n GLY 40 Ca -0.02 0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 1.37 -0.11 -0.61 1.01 -1.26 -4.19 121.20 117.40 2woe s ILE 41 Ca 0.00 -0.72 -0.29 0.00 0.00 0.00 0.00 60.65 59.64 2woe s ILE 41 Cb 0.00 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 2woe s ILE 41 CO 0.00 0.24 1.42 -2.28 0.00 0.00 0.00 174.94 174.32 2woe s HIS 42 N 1.53 2.51 0.00 3.97 5.65 -1.26 -4.82 115.29 122.87 2woe s HIS 42 Ca 0.01 0.68 0.00 0.00 0.25 0.00 0.00 55.06 56.01 2woe s HIS 42 Cb -0.15 -3.67 0.00 0.00 -1.18 0.00 0.00 32.58 27.58 2woe s HIS 42 CO -0.09 -2.56 0.00 0.54 -0.65 0.00 0.00 174.74 171.98 2woe n ARG 43 N 6.75 0.00 -4.23 2.88 1.74 -1.26 -4.81 116.66 117.73 2woe n ARG 43 Ca 0.15 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.08 2woe n ARG 43 Cb 0.44 -0.25 -0.10 0.00 -1.02 0.00 0.00 32.46 31.53 2woe n ARG 43 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2woe s LYS 44 N 0.00 1.00 -0.86 5.56 -0.14 -1.26 -5.04 119.74 119.00 2woe s LYS 44 Ca 0.00 -1.32 -0.25 0.00 -1.36 0.00 0.00 55.97 53.04 2woe s LYS 44 Cb 0.00 -0.68 0.02 0.00 -1.68 0.00 0.00 37.83 35.48 2woe s LYS 44 CO 0.00 0.10 1.56 -1.64 -0.76 0.00 0.00 175.35 174.61 2woe s MET 45 N -3.21 3.14 -0.01 1.68 -1.94 -1.26 -4.79 119.30 112.91 2woe s MET 45 Ca 0.12 -0.47 0.21 0.00 -1.71 0.00 0.00 55.69 53.84 2woe s MET 45 Cb -0.01 -4.84 -0.24 0.00 2.01 0.00 0.00 34.83 31.75 2woe s MET 45 CO 0.01 -2.50 0.77 0.25 -0.01 0.00 0.00 175.02 173.55 2woe n THR 46 N 6.99 0.01 -4.69 2.05 -2.24 -1.26 -4.51 114.28 110.63 2woe n THR 46 Ca 0.24 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2woe n THR 46 Cb 0.50 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 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 1.41 0.27 7.00 3.38 0.00 -1.26 -4.58 105.19 111.41 2woe n GLY 47 Ca 0.01 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.81 4.94 -0.02 0.00 0.49 -4.72 105.19 106.70 2woe n GLY 48 Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.95 0.24 -0.02 0.00 -1.25 -1.92 105.19 100.30 2woe n GLY 49 Ca 0.00 -1.37 0.09 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.10 0.00 -0.00 1.61 5.08 -1.83 -1.99 115.95 118.72 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 0.09 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.25 2woe h TRP 50 CO 0.00 0.19 -0.15 1.28 -1.28 0.00 0.00 178.44 178.48 2woe n LEU 51 N -3.91 0.61 -3.59 0.11 4.77 -1.26 -4.95 117.00 108.77 2woe n LEU 51 Ca -0.02 -0.05 -0.20 0.00 -0.03 0.00 0.00 56.01 55.71 2woe n LEU 51 Cb 0.28 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 2woe n LEU 51 CO 0.33 0.11 0.01 0.54 -1.33 0.00 0.00 177.39 177.06 2woe n ARG 52 N -0.89 -5.68 -1.80 3.23 5.12 -0.75 -4.95 116.66 110.93 2woe n ARG 52 Ca 0.14 0.72 -0.31 0.00 -1.93 0.00 0.00 57.85 56.47 2woe n ARG 52 Cb 0.30 -5.48 0.03 0.00 -1.16 0.00 0.00 32.46 26.15 2woe n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2woe s LEU 53 N -6.57 3.09 0.61 0.55 1.43 -0.81 -4.69 118.68 112.29 2woe s LEU 53 Ca 0.03 1.37 -0.10 0.00 -1.03 0.00 0.00 54.13 54.40 2woe s LEU 53 Cb -0.01 -4.30 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 2woe s LEU 53 CO 0.78 -1.15 1.01 -0.54 0.23 0.00 0.00 176.35 176.68 2woe s LYS 54 N -5.20 3.55 0.19 1.70 3.01 -1.26 -0.38 119.74 121.36 2woe s LYS 54 Ca 0.57 0.68 -0.32 0.00 -1.01 0.00 0.00 55.97 55.89 2woe s LYS 54 Cb -0.12 -2.11 -0.11 0.00 -1.01 0.00 0.00 37.83 34.49 2woe s LYS 54 CO 0.54 -0.56 1.63 -2.14 0.51 0.00 0.00 175.35 175.33 2woe s PRO 55 N -5.15 4.17 0.00 -1.68 0.02 -1.26 -1.81 135.00 129.29 2woe s PRO 55 Ca 0.54 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.05 2woe s PRO 55 Cb -0.11 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.30 2woe s PRO 55 CO 0.53 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 2woe n GLY 56 N 3.71 0.98 3.73 0.52 0.00 -1.26 -4.84 105.19 108.02 2woe n GLY 56 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.02 4.41 0.62 1.61 0.74 -0.75 -4.29 119.66 121.98 2woe s GLN 57 Ca 0.00 1.95 -0.03 0.00 0.05 0.00 0.00 55.36 57.32 2woe s GLN 57 Cb 0.00 -3.25 0.04 0.00 1.10 0.00 0.00 33.01 30.90 2woe s GLN 57 CO 0.00 -0.26 0.90 0.96 -0.55 0.00 0.00 175.29 176.34 2woe s ILE 58 N 0.53 2.68 0.00 -2.34 -4.36 -1.26 -4.32 121.20 112.13 2woe s ILE 58 Ca 0.58 -0.38 0.00 0.00 -0.26 0.00 0.00 60.65 60.59 2woe s ILE 58 Cb -0.34 -3.09 0.00 0.00 1.25 0.00 0.00 42.46 40.28 2woe s ILE 58 CO 0.34 -0.08 0.00 0.35 0.24 0.00 0.00 174.94 175.79 2woe n THR 59 N -2.63 0.00 0.23 8.37 -2.24 -1.26 -5.00 114.28 111.75 2woe n THR 59 Ca 0.07 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.94 2woe n THR 59 Cb 0.60 0.00 0.58 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.14 3.42 2.03 -1.98 -1.96 116.42 118.06 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 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 2woe h ASP 60 CO 0.00 0.20 -0.15 0.44 -1.03 0.00 0.00 179.24 178.69 2woe h ASP 61 N 0.00 -0.41 -0.13 4.15 3.32 -1.93 0.65 116.42 122.07 2woe h ASP 61 Ca -0.00 0.04 -0.20 0.00 0.02 0.00 0.00 57.03 56.89 2woe h ASP 61 Cb 0.44 0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.14 2woe h ASP 61 CO 0.03 -0.23 -0.72 0.74 -1.72 0.00 0.00 179.24 177.34 2woe h THR 62 N -0.33 1.30 -0.49 0.35 2.02 -1.86 -2.78 112.91 111.11 2woe h THR 62 Ca 0.01 -1.95 -0.02 0.00 0.77 0.00 0.00 66.41 65.22 2woe h THR 62 Cb 0.32 2.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 2woe h THR 62 CO -0.05 0.61 0.23 -0.33 0.37 0.00 0.00 175.52 176.35 2woe h GLU 63 N 0.41 0.72 -0.32 6.66 5.08 -1.18 0.25 114.58 126.20 2woe h GLU 63 Ca -0.05 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 2woe h GLU 63 Cb 1.36 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2woe h GLU 63 CO 0.15 0.61 -0.30 0.52 -1.00 0.00 0.00 179.01 178.99 2woe h MET 64 N 0.66 0.67 -0.39 2.33 2.86 -0.95 -1.11 114.93 118.99 2woe h MET 64 Ca 0.17 -0.30 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2woe h MET 64 Cb 0.14 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 2woe h MET 64 CO -0.02 0.89 0.24 0.77 1.06 0.00 0.00 176.91 179.85 2woe h SER 65 N 0.57 0.40 -0.62 1.22 0.02 -1.25 -1.69 113.55 112.20 2woe h SER 65 Ca 0.07 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2woe h SER 65 Cb 0.80 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 2woe h SER 65 CO 0.07 0.29 0.32 -0.07 -1.14 0.00 0.00 176.83 176.29 2woe h LEU 66 N 0.49 0.82 -0.43 5.07 3.38 -0.65 -0.25 115.31 123.74 2woe h LEU 66 Ca 0.15 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2woe h LEU 66 Cb -0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2woe h LEU 66 CO -0.05 0.70 0.08 0.00 0.09 0.00 0.00 178.44 179.25 2woe h ALA 67 N 1.43 0.57 -0.35 1.53 0.00 -0.90 0.24 119.26 121.79 2woe h ALA 67 Ca 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2woe h ALA 67 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2woe h ALA 67 CO -0.03 0.28 0.13 1.25 0.00 0.00 0.00 179.25 180.88 2woe h LEU 68 N 0.57 0.49 -1.13 0.00 5.85 -1.04 -2.90 115.31 117.15 2woe h LEU 68 Ca 0.13 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 2woe h LEU 68 Cb 0.37 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2woe h LEU 68 CO 0.01 0.54 -0.16 1.23 -0.34 0.00 0.00 178.44 179.71 2woe h GLY 69 N 0.41 0.45 0.89 3.75 0.00 -0.89 -1.79 103.07 105.89 2woe h GLY 69 Ca 0.11 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.14 2woe h GLY 69 CO -0.01 0.29 0.12 -0.09 0.00 0.00 0.00 176.54 176.86 2woe h ARG 70 N 0.39 0.26 0.10 4.80 2.43 -0.84 -1.28 114.38 120.23 2woe h ARG 70 Ca 0.07 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2woe h ARG 70 Cb 0.51 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2woe h ARG 70 CO 0.03 0.17 -0.05 1.03 -1.51 0.00 0.00 179.97 179.64 2woe h SER 71 N 0.26 -0.12 -0.51 -3.80 0.87 -1.29 0.02 113.55 108.99 2woe h SER 71 Ca 0.10 -0.26 0.10 0.00 -1.23 0.00 0.00 61.79 60.51 2woe h SER 71 Cb 0.03 0.03 -0.10 0.00 -0.44 0.00 0.00 62.40 61.92 2woe h SER 71 CO -0.07 0.20 -0.17 -0.07 -0.53 0.00 0.00 176.83 176.19 2woe h LEU 72 N -0.44 -0.60 -0.91 2.23 3.38 -1.32 0.11 115.31 117.76 2woe h LEU 72 Ca -0.01 0.17 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 2woe h LEU 72 Cb 0.36 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2woe h LEU 72 CO 0.02 -0.20 -0.29 0.00 0.09 0.00 0.00 178.44 178.06 2woe h ALA 73 N 1.40 1.08 -0.09 1.53 0.00 -1.15 0.25 119.26 122.29 2woe h ALA 73 Ca 0.24 -0.36 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 2woe h ALA 73 Cb 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2woe h ALA 73 CO -0.55 0.57 -0.79 0.00 0.00 0.00 0.00 179.25 178.48 2woe h ALA 74 N 1.30 0.44 0.00 0.00 0.00 -0.19 -3.32 119.26 117.50 2woe h ALA 74 Ca 0.05 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2woe h ALA 74 Cb 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2woe h ALA 74 CO 0.05 0.74 -1.17 1.63 0.00 0.00 0.00 179.25 180.50 2woe n LYS 75 N -3.86 0.17 -1.16 0.00 4.76 0.31 -4.98 118.16 113.41 2woe n LYS 75 Ca -0.06 -0.04 -0.05 0.00 -2.87 0.00 0.00 58.31 55.28 2woe n LYS 75 Cb 0.75 -1.52 -0.02 0.00 -1.84 0.00 0.00 35.03 32.40 2woe n LYS 75 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2woe n GLY 76 N 1.43 0.65 3.85 0.72 0.00 0.88 -4.90 105.19 107.84 2woe n GLY 76 Ca 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.76 0.00 -0.30 2.61 -1.32 -1.22 -5.05 115.64 108.61 2woe s THR 77 Ca 0.00 -0.65 -0.29 0.00 -1.21 0.00 0.00 61.69 59.54 2woe s THR 77 Cb 0.00 -2.75 0.01 0.00 -1.51 0.00 0.00 72.50 68.25 2woe s THR 77 CO 0.00 0.00 1.17 -0.22 -2.21 0.00 0.00 174.62 173.36 2woe s LEU 78 N -3.30 3.94 -0.42 9.08 2.96 -1.26 -4.47 118.68 125.21 2woe s LEU 78 Ca 0.20 1.16 0.02 0.00 -0.22 0.00 0.00 54.13 55.29 2woe s LEU 78 Cb -0.03 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 43.24 2woe s LEU 78 CO 0.06 -0.93 0.19 -0.62 -1.32 0.00 0.00 176.35 173.72 2woe s ASP 79 N 2.05 4.04 0.31 3.68 -1.08 -1.26 -5.02 116.67 119.39 2woe s ASP 79 Ca 0.50 -2.45 0.02 0.00 -0.52 0.00 0.00 52.55 50.09 2woe s ASP 79 Cb -0.14 -1.23 0.50 0.00 -1.46 0.00 0.00 42.92 40.59 2woe s ASP 79 CO 0.18 -0.30 1.85 0.58 0.52 0.00 0.00 175.17 177.99 2woe h VAL 80 N 5.74 1.21 -0.40 1.11 2.07 -1.97 -1.15 116.25 122.87 2woe h VAL 80 Ca -0.05 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 2woe h VAL 80 Cb 0.95 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2woe h VAL 80 CO 0.53 0.29 -0.04 0.00 0.02 0.00 0.00 177.57 178.37 2woe h ALA 81 N 1.42 1.19 -0.18 1.67 0.00 -1.95 -0.87 119.26 120.53 2woe h ALA 81 Ca 0.14 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 2woe h ALA 81 Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2woe h ALA 81 CO 0.01 0.53 -0.53 0.22 0.00 0.00 0.00 179.25 179.47 2woe h ASP 82 N 0.61 0.59 -0.47 0.00 1.82 -1.68 -1.28 116.42 116.02 2woe h ASP 82 Ca 0.12 -0.31 -0.05 0.00 -0.39 0.00 0.00 57.03 56.40 2woe h ASP 82 Cb 0.45 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 2woe h ASP 82 CO 0.02 1.01 0.10 0.40 -1.61 0.00 0.00 179.24 179.17 2woe h ILE 83 N 0.42 1.24 -0.60 2.25 2.04 -1.12 -1.12 117.51 120.61 2woe h ILE 83 Ca 0.01 -0.85 0.10 0.00 1.00 0.00 0.00 64.86 65.11 2woe h ILE 83 Cb 1.07 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.97 2woe h ILE 83 CO 0.10 0.30 0.20 0.00 0.00 0.00 0.00 178.15 178.76 2woe h GLU 85 N 0.37 0.99 -0.68 0.00 4.39 -0.83 0.51 114.58 119.34 2woe h GLU 85 Ca 0.31 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 59.82 2woe h GLU 85 Cb 0.40 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2woe h GLU 85 CO -0.33 0.74 0.15 0.93 -1.16 0.00 0.00 179.01 179.35 2woe h GLU 86 N 0.98 1.09 -0.81 2.33 4.39 -0.81 0.24 114.58 122.00 2woe h GLU 86 Ca 0.25 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2woe h GLU 86 Cb 0.03 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 2woe h GLU 86 CO -0.04 0.98 0.40 0.74 -1.16 0.00 0.00 179.01 179.93 2woe h PHE 87 N 1.02 1.15 -0.21 4.33 0.04 -0.74 -0.78 116.94 121.74 2woe h PHE 87 Ca 0.21 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.88 2woe h PHE 87 Cb 0.38 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 2woe h PHE 87 CO 0.03 0.82 -0.06 0.00 -0.60 0.00 0.00 178.31 178.51 2woe h ALA 88 N 1.29 0.30 -0.82 2.45 0.00 -0.32 -0.64 119.26 121.50 2woe h ALA 88 Ca 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2woe h ALA 88 Cb 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2woe h ALA 88 CO -0.04 0.09 0.48 -0.07 0.00 0.00 0.00 179.25 179.71 2woe h LEU 89 N 0.14 1.01 -0.01 0.00 3.38 -0.42 -0.81 115.31 118.60 2woe h LEU 89 Ca 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2woe h LEU 89 Cb 0.52 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2woe h LEU 89 CO 0.02 0.79 -0.01 -0.25 0.09 0.00 0.00 178.44 179.09 2woe h TRP 90 N 1.14 -0.01 -0.76 1.13 7.01 -1.06 -2.62 115.95 120.78 2woe h TRP 90 Ca 0.29 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.33 2woe h TRP 90 Cb -0.02 0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.00 2woe h TRP 90 CO -0.00 -0.01 0.48 1.25 -2.79 0.00 0.00 178.44 177.37 2woe h LEU 91 N -0.01 0.79 -2.09 0.65 5.85 -0.74 -1.93 115.31 117.84 2woe h LEU 91 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2woe h LEU 91 Cb 0.01 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 2woe h LEU 91 CO -0.01 0.54 -0.00 0.11 -0.34 0.00 0.00 178.44 178.74 2woe h LYS 92 N 0.93 0.00 0.00 1.25 1.57 -1.06 -1.58 116.57 117.68 2woe h LYS 92 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2woe h LYS 92 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2woe h LYS 92 CO -0.12 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.63 2woe n SER 93 N -3.09 0.00 -3.21 0.86 3.41 -0.72 -4.96 113.62 105.91 2woe n SER 93 Ca -0.01 -1.12 -0.08 0.00 -0.26 0.00 0.00 58.87 57.40 2woe n SER 93 Cb 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 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 -0.87 -1.55 -0.89 4.33 1.74 -0.59 -4.96 116.66 113.87 2woe n ARG 94 Ca 0.16 1.43 -0.30 0.00 -0.77 0.00 0.00 57.85 58.37 2woe n ARG 94 Cb 0.07 -4.84 0.17 0.00 -1.02 0.00 0.00 32.46 26.85 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 -3.33 0.67 0.36 5.56 0.05 -1.26 -4.91 135.00 132.14 2woe s PRO 95 Ca 0.06 1.06 0.05 0.00 0.05 0.00 0.00 61.00 62.22 2woe s PRO 95 Cb -0.01 -1.72 0.67 0.00 0.05 0.00 0.00 34.50 33.48 2woe s PRO 95 CO 0.79 -2.71 1.92 -0.39 0.05 0.00 0.00 177.00 176.66 2woe h VAL 96 N -1.90 1.17 -3.16 -0.36 -1.51 -1.95 -3.43 116.25 105.12 2woe h VAL 96 Ca -0.50 -0.63 -0.18 0.00 -1.23 0.00 0.00 66.70 64.16 2woe h VAL 96 Cb 1.29 0.82 -0.27 0.00 -2.13 0.00 0.00 31.29 31.01 2woe h VAL 96 CO 0.49 0.23 -0.46 0.21 -1.23 0.00 0.00 177.57 176.81 2woe s ASN 97 N -6.72 -0.24 -0.01 4.19 2.47 -1.26 -5.07 114.94 108.30 2woe s ASN 97 Ca -0.08 0.46 0.03 0.00 0.42 0.00 0.00 52.86 53.69 2woe s ASN 97 Cb 0.16 0.45 -0.00 0.00 -1.45 0.00 0.00 41.25 40.40 2woe s ASN 97 CO 0.76 -0.09 -0.09 -0.69 -3.72 0.00 0.00 177.10 173.26 2woe s VAL 98 N 0.32 0.74 0.52 -5.21 1.01 -1.26 -4.32 120.40 112.20 2woe s VAL 98 Ca -0.02 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 2woe s VAL 98 Cb -0.03 -0.63 -0.07 0.00 0.00 0.00 0.00 36.38 35.64 2woe s VAL 98 CO -0.01 0.22 1.02 -0.83 0.00 0.00 0.00 175.10 175.50 2woe s GLY 99 N -0.09 2.28 0.15 4.51 0.00 -1.26 -4.91 107.32 107.99 2woe s GLY 99 Ca 0.02 0.42 -0.12 0.00 0.00 0.00 0.00 44.72 45.04 2woe s GLY 99 CO -0.00 0.73 1.59 3.43 0.00 0.00 0.00 173.10 178.84 2woe h ASN 100 N 1.12 0.87 -0.23 1.64 2.35 -2.01 0.21 115.58 119.53 2woe h ASN 100 Ca -0.48 -0.32 -0.19 0.00 -0.55 0.00 0.00 56.30 54.76 2woe h ASN 100 Cb 1.21 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.34 2woe h ASN 100 CO 0.59 0.99 -0.58 0.74 -1.65 0.00 0.00 177.43 177.52 2woe h THR 101 N 0.74 1.29 -0.26 2.81 2.02 -1.94 -1.41 112.91 116.16 2woe h THR 101 Ca 0.13 -1.78 0.06 0.00 0.77 0.00 0.00 66.41 65.59 2woe h THR 101 Cb 0.56 1.79 -0.06 0.00 -1.74 0.00 0.00 68.15 68.70 2woe h THR 101 CO 0.03 0.57 -0.16 0.00 0.37 0.00 0.00 175.52 176.34 2woe h ARG 103 N -0.13 0.42 -0.64 0.00 2.43 -0.88 -0.81 114.38 114.76 2woe h ARG 103 Ca 0.14 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2woe h ARG 103 Cb 0.35 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 2woe h ARG 103 CO -0.34 0.28 0.35 -0.09 -1.51 0.00 0.00 179.97 178.66 2woe h ARG 104 N 0.43 0.89 -0.29 0.20 2.43 -0.99 -0.18 114.38 116.88 2woe h ARG 104 Ca 0.14 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2woe h ARG 104 Cb -0.00 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2woe h ARG 104 CO -0.06 0.68 0.15 0.78 -1.51 0.00 0.00 179.97 180.00 2woe h GLY 105 N 0.87 0.44 1.16 2.80 0.00 -0.83 -1.08 103.07 106.44 2woe h GLY 105 Ca 0.23 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 2woe h GLY 105 CO -0.04 0.20 -0.05 -2.22 0.00 0.00 0.00 176.54 174.43 2woe h ILE 106 N 0.34 1.26 -0.15 2.60 2.04 -0.95 -2.09 117.51 120.57 2woe h ILE 106 Ca 0.10 -1.19 -0.09 0.00 1.00 0.00 0.00 64.86 64.68 2woe h ILE 106 Cb 0.09 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2woe h ILE 106 CO -0.01 0.42 -0.30 0.03 0.00 0.00 0.00 178.15 178.29 2woe h ARG 107 N 0.90 0.29 0.16 2.37 3.08 -1.00 -0.74 114.38 119.45 2woe h ARG 107 Ca 0.15 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2woe h ARG 107 Cb 0.60 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2woe h ARG 107 CO 0.04 0.57 -0.15 -0.09 -1.07 0.00 0.00 179.97 179.28 2woe h ARG 108 N 0.26 -0.32 -0.30 0.04 2.43 -0.68 -0.84 114.38 114.98 2woe h ARG 108 Ca 0.04 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2woe h ARG 108 Cb 0.67 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.24 2woe h ARG 108 CO 0.05 -0.21 -0.06 -0.92 -1.51 0.00 0.00 179.97 177.32 2woe h TYR 109 N -0.33 -0.13 -0.34 2.20 3.20 -1.16 0.45 116.97 120.86 2woe h TYR 109 Ca -0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2woe h TYR 109 Cb 0.30 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 2woe h TYR 109 CO -0.12 -0.12 0.20 0.52 -1.64 0.00 0.00 178.16 177.00 2woe h MET 110 N 0.01 0.46 0.00 1.82 2.86 -0.85 0.39 114.93 119.61 2woe h MET 110 Ca 0.14 -0.03 -0.30 0.00 -2.06 0.00 0.00 59.70 57.45 2woe h MET 110 Cb 0.21 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.72 2woe h MET 110 CO -0.30 0.32 -2.28 0.72 1.06 0.00 0.00 176.91 176.43 2woe n HIS 111 N -4.46 0.00 0.23 -0.22 8.25 -0.34 -4.58 115.22 114.09 2woe n HIS 111 Ca 0.02 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.52 2woe n HIS 111 Cb 0.08 -0.89 -0.05 0.00 1.12 0.00 0.00 29.99 30.25 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 -2.64 2.71 -0.94 -0.41 1.02 0.15 -5.01 120.64 115.53 2woe n GLU 112 Ca -0.27 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 56.84 2woe n GLU 112 Cb 1.04 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 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 1.52 0.60 3.76 0.62 0.00 0.14 -4.99 105.19 106.83 2woe n GLY 113 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.61 4.58 -2.06 2.61 -4.23 -1.26 -4.96 115.64 107.71 2woe s THR 114 Ca 0.00 1.65 0.24 0.00 -1.18 0.00 0.00 61.69 62.40 2woe s THR 114 Cb 0.00 -4.12 0.13 0.00 1.34 0.00 0.00 72.50 69.85 2woe s THR 114 CO 0.00 0.44 1.30 0.35 -0.54 0.00 0.00 174.62 176.17 2woe n THR 115 N 2.27 0.00 -4.00 3.99 -2.24 -1.26 -3.81 114.28 109.24 2woe n THR 115 Ca -0.04 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 2woe n THR 115 Cb 0.50 0.95 -0.11 0.00 -2.10 0.00 0.00 70.33 69.57 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 -2.41 0.23 0.05 4.28 -1.32 -1.26 -4.06 115.64 111.14 2woe s THR 116 Ca 0.22 -0.94 -0.14 0.00 -1.21 0.00 0.00 61.69 59.63 2woe s THR 116 Cb 0.19 -0.35 -0.06 0.00 -1.51 0.00 0.00 72.50 70.77 2woe s THR 116 CO 0.52 -0.45 0.44 0.00 -2.21 0.00 0.00 174.62 172.91 2woe s ALA 117 N -1.40 3.68 0.67 11.08 0.00 0.90 -4.97 121.76 131.71 2woe s ALA 117 Ca -0.14 -0.23 -0.13 0.00 0.00 0.00 0.00 51.96 51.47 2woe s ALA 117 Cb -0.10 -2.40 -0.00 0.00 0.00 0.00 0.00 23.12 20.62 2woe s ALA 117 CO -0.01 0.49 1.06 -1.25 0.00 0.00 0.00 175.76 176.06 2woe s PRO 118 N -1.45 3.01 0.32 0.00 0.04 -1.26 -4.68 135.00 130.97 2woe s PRO 118 Ca 0.29 1.07 -0.28 0.00 0.04 0.00 0.00 61.00 62.12 2woe s PRO 118 Cb -0.16 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.26 2woe s PRO 118 CO 0.16 -1.05 1.28 0.98 0.04 0.00 0.00 177.00 178.41 2woe n TYR 119 N -2.76 2.17 -3.84 0.56 9.36 -1.26 -4.51 117.16 116.89 2woe n TYR 119 Ca 0.08 0.55 -0.12 0.00 3.32 0.00 0.00 57.90 61.73 2woe n TYR 119 Cb 0.53 -2.41 -0.13 0.00 -0.63 0.00 0.00 39.34 36.70 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 -0.24 -0.08 0.46 2.98 0.15 -1.13 -5.04 113.70 110.80 2woe s SER 120 Ca 0.58 0.16 0.17 0.00 0.70 0.00 0.00 55.95 57.56 2woe s SER 120 Cb -0.59 0.16 1.13 0.00 -1.71 0.00 0.00 66.02 65.01 2woe s SER 120 CO 0.60 -0.04 1.97 -0.08 1.20 0.00 0.00 173.24 176.89 2woe h GLU 121 N 6.13 0.29 -0.44 5.44 4.22 -1.95 -0.72 114.58 127.55 2woe h GLU 121 Ca -0.26 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.16 2woe h GLU 121 Cb 1.20 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2woe h GLU 121 CO 0.46 0.19 0.00 0.41 -2.18 0.00 0.00 179.01 177.89 2woe n GLY 122 N -1.55 0.64 1.00 1.92 0.00 -1.26 -4.15 105.19 101.79 2woe n GLY 122 Ca 0.11 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 0.13 2.80 -1.56 1.61 9.92 -0.28 -4.35 116.55 124.82 2woe n ASP 123 Ca 0.07 -2.31 -0.01 0.00 -0.53 0.00 0.00 54.79 52.01 2woe n ASP 123 Cb 0.29 -0.49 0.24 0.00 -0.64 0.00 0.00 41.12 40.52 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 0.33 3.76 -1.35 2.24 0.00 -1.26 -4.51 120.51 119.73 2woe n ALA 124 Ca 0.12 -1.49 -0.30 0.00 0.00 0.00 0.00 53.44 51.77 2woe n ALA 124 Cb 0.58 -1.15 0.12 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.54 1.61 -0.00 0.00 0.00 -1.26 -0.80 107.32 106.33 2woe s GLY 125 Ca 0.38 -0.15 0.08 0.00 0.00 0.00 0.00 44.72 45.03 2woe s GLY 125 CO 0.10 0.32 1.19 1.16 0.00 0.00 0.00 173.10 175.87 2woe n ASN 126 N -3.73 1.45 0.26 1.64 0.23 0.09 -4.44 115.26 110.76 2woe n ASN 126 Ca 0.07 -2.01 0.13 0.00 -0.53 0.00 0.00 54.58 52.24 2woe n ASN 126 Cb 0.56 -0.19 0.67 0.00 -2.08 0.00 0.00 39.78 38.74 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 5.40 0.00 0.80 4.83 0.00 -1.93 -1.58 103.07 110.59 2woe h GLY 127 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 2woe h GLY 127 CO 0.01 0.00 -1.76 0.00 0.00 0.00 0.00 176.54 174.79 2woe h ALA 128 N 1.87 0.21 -0.45 3.60 0.00 -1.89 -3.37 119.26 119.23 2woe h ALA 128 Ca -0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 2woe h ALA 128 Cb 0.47 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2woe h ALA 128 CO 0.02 1.05 0.28 0.00 0.00 0.00 0.00 179.25 180.60 2woe h ALA 129 N 0.08 1.65 0.00 0.00 0.00 -1.79 -2.93 119.26 116.27 2woe h ALA 129 Ca -0.36 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2woe h ALA 129 Cb 2.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2woe h ALA 129 CO 0.14 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.70 2woe h MET 130 N 0.61 0.00 -0.05 0.00 3.00 -1.46 -3.17 114.93 113.87 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 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.55 2woe h MET 130 CO -0.03 0.00 0.00 2.89 0.00 0.00 0.00 176.91 179.77 2woe n ARG 131 N -2.75 2.36 0.03 -0.10 1.85 -1.11 -4.76 116.66 112.18 2woe n ARG 131 Ca -0.00 -2.04 0.13 0.00 -1.00 0.00 0.00 57.85 54.94 2woe n ARG 131 Cb 0.20 -1.27 0.47 0.00 -1.05 0.00 0.00 32.46 30.81 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 -0.64 -1.18 0.00 5.85 -1.85 -2.15 115.31 115.33 2woe h LEU 133 Ca 0.00 0.16 0.15 0.00 0.84 0.00 0.00 57.88 59.03 2woe h LEU 133 Cb 0.57 0.36 -0.08 0.00 0.37 0.00 0.00 40.66 41.88 2woe h LEU 133 CO 0.00 -0.22 0.60 -0.65 -0.34 0.00 0.00 178.44 177.83 2woe h PRO 134 N -0.09 0.75 -0.16 5.25 0.11 -1.87 -0.11 132.00 135.88 2woe h PRO 134 Ca 0.21 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.16 2woe h PRO 134 Cb 0.42 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 2woe h PRO 134 CO -0.51 0.50 -0.42 0.00 -0.21 0.00 0.00 178.00 177.37 2woe h ALA 135 N 1.59 0.99 -0.13 -0.75 0.00 -1.69 -0.57 119.26 118.69 2woe h ALA 135 Ca 0.49 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2woe h ALA 135 Cb 0.71 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2woe h ALA 135 CO -0.25 0.62 0.05 0.00 0.00 0.00 0.00 179.25 179.67 2woe h ALA 136 N 1.25 0.18 -0.45 0.00 0.00 -0.85 -3.07 119.26 116.32 2woe h ALA 136 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2woe h ALA 136 Cb 0.87 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2woe h ALA 136 CO 0.07 -0.22 0.21 -0.07 0.00 0.00 0.00 179.25 179.24 2woe h LEU 137 N 0.05 0.59 -2.34 0.00 3.38 -0.92 -2.92 115.31 113.15 2woe h LEU 137 Ca 0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2woe h LEU 137 Cb 0.19 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2woe h LEU 137 CO -0.00 0.55 -0.01 0.00 0.09 0.00 0.00 178.44 179.07 2woe h ALA 138 N 1.06 1.03 -0.33 1.53 0.00 -1.14 -2.89 119.26 118.52 2woe h ALA 138 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2woe h ALA 138 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2woe h ALA 138 CO -0.02 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.49 2woe n THR 139 N -3.15 1.61 -0.26 0.00 -2.24 -1.11 -3.52 114.28 105.61 2woe n THR 139 Ca -0.02 -1.39 0.00 0.00 -2.27 0.00 0.00 64.05 60.38 2woe n THR 139 Cb 0.17 0.15 0.13 0.00 -2.10 0.00 0.00 70.33 68.68 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 2.05 0.60 -0.05 3.22 3.38 -1.43 -2.33 115.31 120.75 2woe h LEU 140 Ca 0.00 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2woe h LEU 140 Cb 1.08 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2woe h LEU 140 CO 0.11 0.37 -0.58 1.23 0.09 0.00 0.00 178.44 179.66 2woe h GLY 141 N 0.73 0.00 -6.07 0.83 0.00 -1.77 -3.38 103.07 93.41 2woe h GLY 141 Ca 0.34 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 47.09 2woe h GLY 141 CO -0.21 0.00 -0.74 -2.39 0.00 0.00 0.00 176.54 173.20 2woe n HIS 142 N -3.26 2.61 0.28 5.60 1.44 -0.91 -4.97 115.22 116.01 2woe n HIS 142 Ca 0.02 -3.99 0.12 0.00 -2.01 0.00 0.00 57.72 51.86 2woe n HIS 142 Cb 0.76 -0.50 0.59 0.00 0.12 0.00 0.00 29.99 30.96 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 4.00 0.00 0.00 -1.40 0.13 -1.67 -0.73 132.00 132.33 2woe h PRO 143 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2woe h PRO 143 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2woe h PRO 143 CO 0.74 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.51 2woe h ALA 144 N 2.11 1.00 -0.00 -0.56 0.00 -1.93 -2.20 119.26 117.68 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 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2woe h ALA 144 CO 0.00 0.00 -0.47 -0.25 0.00 0.00 0.00 179.25 178.53 2woe n ASP 145 N -2.39 0.64 0.38 0.00 10.43 -0.28 -4.46 116.55 120.87 2woe n ASP 145 Ca 0.00 -0.43 -0.18 0.00 2.57 0.00 0.00 54.79 56.75 2woe n ASP 145 Cb 0.14 0.25 -0.09 0.00 1.84 0.00 0.00 41.12 43.26 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 0.28 -1.07 -0.07 0.64 5.85 -1.55 -1.03 115.31 118.36 2woe h LEU 146 Ca 0.00 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2woe h LEU 146 Cb 0.50 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 2woe h LEU 146 CO 0.00 -0.65 0.04 -0.08 -0.34 0.00 0.00 178.44 177.40 2woe h GLU 147 N -1.04 0.11 -0.45 1.25 4.22 -1.78 0.79 114.58 117.68 2woe h GLU 147 Ca -0.09 -0.02 0.08 0.00 0.08 0.00 0.00 59.36 59.42 2woe h GLU 147 Cb 0.84 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.01 2woe h GLU 147 CO 0.09 0.19 0.06 -1.35 -2.18 0.00 0.00 179.01 175.81 2woe h PRO 148 N -0.00 0.17 -0.06 0.92 0.11 -1.79 -1.35 132.00 129.99 2woe h PRO 148 Ca 0.03 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 2woe h PRO 148 Cb 0.12 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 2woe h PRO 148 CO -0.00 0.12 -0.08 -1.49 -0.21 0.00 0.00 178.00 176.33 2woe h TRP 149 N 0.18 0.20 -0.33 0.65 4.06 -0.96 -0.81 115.95 118.93 2woe h TRP 149 Ca 0.22 -0.06 0.02 0.00 2.06 0.00 0.00 58.89 61.13 2woe h TRP 149 Cb 0.30 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.40 2woe h TRP 149 CO -0.24 0.64 0.18 0.28 -3.56 0.00 0.00 178.44 175.73 2woe h VAL 150 N -0.30 1.00 -0.45 1.49 2.07 -0.85 -2.16 116.25 117.05 2woe h VAL 150 Ca 0.01 -0.12 -0.13 0.00 0.82 0.00 0.00 66.70 67.27 2woe h VAL 150 Cb 0.61 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2woe h VAL 150 CO 0.02 0.07 -0.23 -0.07 0.02 0.00 0.00 177.57 177.37 2woe h LEU 151 N 0.36 0.96 -0.25 2.57 -0.00 -1.28 -1.60 115.31 116.07 2woe h LEU 151 Ca 0.14 -0.37 0.04 0.00 -0.00 0.00 0.00 57.88 57.69 2woe h LEU 151 Cb 0.03 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 40.39 2woe h LEU 151 CO -0.08 1.14 0.02 0.00 -0.00 0.00 0.00 178.44 179.52 2woe h ALA 152 N 0.92 0.24 -0.38 1.53 0.00 -0.94 0.20 119.26 120.84 2woe h ALA 152 Ca 0.10 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2woe h ALA 152 Cb 0.80 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2woe h ALA 152 CO 0.07 -0.40 -0.36 -0.56 0.00 0.00 0.00 179.25 178.00 2woe h GLN 153 N 0.11 0.88 -0.13 0.00 -0.00 -1.34 -3.10 115.11 111.52 2woe h GLN 153 Ca 0.12 -0.44 -0.00 0.00 -0.00 0.00 0.00 58.65 58.32 2woe h GLN 153 Cb 0.14 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.62 2woe h GLN 153 CO -0.18 1.09 0.07 0.00 -0.00 0.00 0.00 178.83 179.81 2woe h ALA 154 N 0.86 0.17 0.00 0.06 0.00 -1.01 -2.88 119.26 116.46 2woe h ALA 154 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2woe h ALA 154 Cb 0.93 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2woe h ALA 154 CO 0.09 -0.30 0.00 0.54 0.00 0.00 0.00 179.25 179.58 2woe n ARG 155 N -4.95 0.30 0.08 0.00 5.12 0.69 -1.11 116.66 116.80 2woe n ARG 155 Ca -0.05 0.10 0.04 0.00 -1.93 0.00 0.00 57.85 56.01 2woe n ARG 155 Cb 0.07 -1.50 0.44 0.00 -1.16 0.00 0.00 32.46 30.31 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 1.11 0.00 0.55 2.04 -1.44 0.26 117.51 120.03 2woe h ILE 156 Ca 0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2woe h ILE 156 Cb 0.10 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2woe h ILE 156 CO 0.00 0.14 -0.80 0.35 0.00 0.00 0.00 178.15 177.84 2woe n THR 157 N -4.41 0.00 -3.97 -0.27 -2.24 -0.65 -4.25 114.28 98.49 2woe n THR 157 Ca 0.01 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 2woe n THR 157 Cb 0.14 -0.70 -0.16 0.00 -2.10 0.00 0.00 70.33 67.51 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 -1.80 2.03 -0.43 4.78 3.76 -0.27 -4.68 115.29 118.68 2woe s HIS 158 Ca 0.00 -1.21 0.03 0.00 -0.15 0.00 0.00 55.06 53.73 2woe s HIS 158 Cb 0.00 -1.49 0.12 0.00 1.11 0.00 0.00 32.58 32.32 2woe s HIS 158 CO 0.00 -0.65 0.19 1.21 -0.85 0.00 0.00 174.74 174.63 2woe s ASN 159 N 1.53 4.24 -0.23 1.40 3.84 -1.26 -3.72 114.94 120.74 2woe s ASN 159 Ca 0.02 -2.57 -0.18 0.00 0.21 0.00 0.00 52.86 50.35 2woe s ASN 159 Cb -0.14 -1.42 0.06 0.00 -0.55 0.00 0.00 41.25 39.21 2woe s ASN 159 CO -0.09 -0.30 0.60 -2.28 -2.79 0.00 0.00 177.10 172.24 2woe s HIS 160 N 0.35 -0.77 0.32 0.43 2.46 -1.26 -2.86 115.29 113.97 2woe s HIS 160 Ca 0.15 1.71 0.09 0.00 0.47 0.00 0.00 55.06 57.48 2woe s HIS 160 Cb -0.23 0.35 0.84 0.00 -0.13 0.00 0.00 32.58 33.41 2woe s HIS 160 CO -0.04 -0.38 1.77 -1.35 -2.47 0.00 0.00 174.74 172.26 2woe h PRO 161 N 5.99 0.64 -0.35 2.88 0.11 -1.95 -1.27 132.00 138.04 2woe h PRO 161 Ca -0.30 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.63 2woe h PRO 161 Cb 1.19 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2woe h PRO 161 CO 0.16 0.42 -0.33 -0.07 -0.21 0.00 0.00 178.00 177.97 2woe h LEU 162 N 0.66 0.90 0.10 2.35 4.07 -1.97 -1.92 115.31 119.50 2woe h LEU 162 Ca 0.59 -0.46 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 2woe h LEU 162 Cb 1.07 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.55 2woe h LEU 162 CO -0.38 1.18 -0.05 -1.28 -1.08 0.00 0.00 178.44 176.82 2woe h SER 163 N 0.64 -0.12 -0.58 -0.43 0.87 -1.70 -2.29 113.55 109.95 2woe h SER 163 Ca 0.06 -0.19 0.11 0.00 -1.23 0.00 0.00 61.79 60.54 2woe h SER 163 Cb 0.91 0.03 -0.11 0.00 -0.44 0.00 0.00 62.40 62.79 2woe h SER 163 CO 0.08 0.12 -0.25 0.44 -0.53 0.00 0.00 176.83 176.69 2woe h ASP 164 N -0.36 -0.89 -0.52 6.23 3.32 -1.28 -1.24 116.42 121.68 2woe h ASP 164 Ca -0.01 0.21 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 2woe h ASP 164 Cb 0.30 0.48 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 2woe h ASP 164 CO 0.02 -0.27 -0.01 0.00 -1.72 0.00 0.00 179.24 177.27 2woe h ALA 165 N 1.26 0.70 -0.15 3.45 0.00 -1.31 -2.30 119.26 120.91 2woe h ALA 165 Ca 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2woe h ALA 165 Cb 0.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2woe h ALA 165 CO -0.65 0.53 0.09 0.00 0.00 0.00 0.00 179.25 179.22 2woe h ALA 166 N 0.94 0.19 -0.39 0.00 0.00 -1.14 -1.47 119.26 117.39 2woe h ALA 166 Ca 0.15 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2woe h ALA 166 Cb 0.54 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 2woe h ALA 166 CO 0.03 -0.31 0.12 0.00 0.00 0.00 0.00 179.25 179.08 2woe h LEU 168 N 0.27 0.63 -0.57 0.00 5.85 -1.35 -1.79 115.31 118.34 2woe h LEU 168 Ca 0.18 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.64 2woe h LEU 168 Cb 0.18 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 2woe h LEU 168 CO -0.20 0.78 0.32 0.74 -0.34 0.00 0.00 178.44 179.73 2woe h THR 169 N 0.46 0.99 -0.18 1.05 2.02 -0.99 0.80 112.91 117.07 2woe h THR 169 Ca 0.10 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2woe h THR 169 Cb 0.45 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2woe h THR 169 CO 0.02 0.11 0.06 -0.07 0.37 0.00 0.00 175.52 176.01 2woe h LEU 170 N 0.61 0.26 -0.35 2.58 3.38 -1.08 0.39 115.31 121.10 2woe h LEU 170 Ca 0.25 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.09 2woe h LEU 170 Cb 0.11 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2woe h LEU 170 CO -0.15 0.37 0.04 1.23 0.09 0.00 0.00 178.44 180.02 2woe h GLY 171 N 0.13 0.37 0.98 0.83 0.00 -1.14 -0.43 103.07 103.81 2woe h GLY 171 Ca 0.06 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.41 2woe h GLY 171 CO -0.00 -0.05 0.55 3.21 0.00 0.00 0.00 176.54 180.24 2woe h ARG 172 N 0.14 1.08 -0.26 4.80 3.08 -0.59 -1.01 114.38 121.62 2woe h ARG 172 Ca 0.17 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.17 2woe h ARG 172 Cb 0.21 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2woe h ARG 172 CO -0.25 0.71 0.13 0.52 -1.07 0.00 0.00 179.97 180.02 2woe h MET 173 N 1.11 0.27 -0.67 0.04 2.86 -0.48 0.15 114.93 118.21 2woe h MET 173 Ca 0.31 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.98 2woe h MET 173 Cb -0.10 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.45 2woe h MET 173 CO -0.08 0.18 0.39 0.28 1.06 0.00 0.00 176.91 178.75 2woe h VAL 174 N 0.28 1.02 -0.61 -2.22 2.07 -0.77 -0.71 116.25 115.31 2woe h VAL 174 Ca 0.10 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2woe h VAL 174 Cb 0.02 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 2woe h VAL 174 CO -0.06 0.14 0.39 0.45 0.02 0.00 0.00 177.57 178.50 2woe h HIS 175 N 0.74 0.78 -0.21 1.57 -0.00 -0.81 0.07 115.15 117.30 2woe h HIS 175 Ca 0.29 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.70 2woe h HIS 175 Cb 0.12 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.24 2woe h HIS 175 CO -0.06 0.51 0.01 0.45 -0.00 0.00 0.00 177.93 178.83 2woe h HIS 176 N 0.82 0.01 -0.05 2.45 3.86 -0.40 0.16 115.15 121.99 2woe h HIS 176 Ca 0.22 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 2woe h HIS 176 Cb -0.06 0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 2woe h HIS 176 CO -0.03 -0.02 -0.03 -0.07 0.86 0.00 0.00 177.93 178.64 2woe h LEU 177 N 0.08 0.12 -1.52 2.43 3.38 -0.87 0.84 115.31 119.76 2woe h LEU 177 Ca 0.10 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 2woe h LEU 177 Cb 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2woe h LEU 177 CO -0.16 0.53 -0.22 0.40 0.09 0.00 0.00 178.44 179.09 2woe h ILE 178 N -0.29 0.75 -0.00 1.22 2.04 -1.01 -2.29 117.51 117.92 2woe h ILE 178 Ca 0.01 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.98 2woe h ILE 178 Cb 0.49 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2woe h ILE 178 CO 0.01 0.21 -0.01 0.61 0.00 0.00 0.00 178.15 178.98 2woe n GLY 179 N -0.40 -0.70 1.45 5.37 0.00 0.04 -4.79 105.19 106.16 2woe n GLY 179 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.07 0.63 0.03 -0.02 0.00 -0.82 -4.94 105.19 101.14 2woe n GLY 180 Ca 0.22 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.73 0.11 0.00 1.61 1.74 0.23 -5.02 116.66 112.61 2woe n ARG 181 Ca 0.00 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2woe n ARG 181 Cb 0.00 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 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 1.44 -2.52 0.31 -0.13 0.00 -1.24 -3.23 105.19 99.82 2woe n GLY 182 Ca 0.05 -1.61 0.07 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 0.40 -0.63 1.61 1.85 -1.95 -2.46 114.93 113.75 2woe h MET 183 Ca 0.00 -0.02 0.06 0.00 -0.61 0.00 0.00 59.70 59.12 2woe h MET 183 Cb 0.00 -0.09 -0.05 0.00 0.43 0.00 0.00 31.60 31.89 2woe h MET 183 CO 0.00 0.27 0.34 -0.22 -0.40 0.00 0.00 176.91 176.90 2woe h LYS 184 N 0.42 0.63 -0.34 0.39 3.64 -2.00 0.15 116.57 119.45 2woe h LYS 184 Ca 0.16 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 2woe h LYS 184 Cb 0.11 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2woe h LYS 184 CO -0.04 0.41 -0.24 0.00 -2.27 0.00 0.00 179.45 177.32 2woe h ALA 185 N 1.33 0.95 -0.30 5.00 0.00 -1.42 -2.57 119.26 122.25 2woe h ALA 185 Ca 0.28 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2woe h ALA 185 Cb 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2woe h ALA 185 CO -0.18 0.61 -0.18 0.00 0.00 0.00 0.00 179.25 179.50 2woe h ARG 187 N 0.48 0.87 -0.15 0.00 9.65 -0.45 0.18 114.38 124.95 2woe h ARG 187 Ca 0.08 -0.06 -0.13 0.00 -1.10 0.00 0.00 59.98 58.78 2woe h ARG 187 Cb 0.58 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 2woe h ARG 187 CO 0.04 0.58 -0.46 0.93 2.80 0.00 0.00 179.97 183.86 2woe h GLU 188 N 0.89 0.37 -0.24 0.20 5.08 -1.32 -1.05 114.58 118.51 2woe h GLU 188 Ca 0.24 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2woe h GLU 188 Cb -0.09 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2woe h GLU 188 CO -0.05 0.75 -0.03 1.49 -1.00 0.00 0.00 179.01 180.17 2woe h GLU 189 N 0.30 0.44 -0.60 2.33 4.57 -0.78 -1.74 114.58 119.09 2woe h GLU 189 Ca 0.02 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 2woe h GLU 189 Cb 0.92 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.45 2woe h GLU 189 CO 0.08 0.65 0.22 0.00 -1.18 0.00 0.00 179.01 178.78 2woe h ALA 190 N 0.78 1.27 -0.45 2.92 0.00 -0.61 -1.79 119.26 121.37 2woe h ALA 190 Ca 0.06 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2woe h ALA 190 Cb 0.47 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2woe h ALA 190 CO 0.02 0.54 0.15 -0.91 0.00 0.00 0.00 179.25 179.04 2woe h ASN 191 N 0.87 0.14 -0.96 0.00 2.35 -1.04 -2.39 115.58 114.55 2woe h ASN 191 Ca 0.20 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2woe h ASN 191 Cb 0.19 0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.57 2woe h ASN 191 CO -0.02 0.11 0.60 0.03 -1.65 0.00 0.00 177.43 176.51 2woe h ARG 192 N 0.31 1.28 -0.98 0.81 3.08 -0.64 -1.56 114.38 116.69 2woe h ARG 192 Ca 0.21 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.19 2woe h ARG 192 Cb 0.22 -0.28 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 2woe h ARG 192 CO -0.23 0.88 0.65 1.25 -1.07 0.00 0.00 179.97 181.44 2woe h LEU 193 N 1.31 1.10 -0.17 3.04 5.85 -0.96 -2.17 115.31 123.30 2woe h LEU 193 Ca 0.35 -0.02 -0.23 0.00 0.84 0.00 0.00 57.88 58.82 2woe h LEU 193 Cb -0.10 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 40.67 2woe h LEU 193 CO -0.07 0.78 -0.91 0.58 -0.34 0.00 0.00 178.44 178.48 2woe h VAL 194 N 1.29 1.36 -0.44 1.05 2.07 -0.96 -0.94 116.25 119.67 2woe h VAL 194 Ca 0.37 -2.30 -0.03 0.00 0.82 0.00 0.00 66.70 65.56 2woe h VAL 194 Cb -0.09 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2woe h VAL 194 CO -0.10 0.70 0.14 -0.74 0.02 0.00 0.00 177.57 177.59 2woe h HIS 195 N 0.31 0.65 0.14 1.57 -0.00 -1.10 -2.45 115.15 114.26 2woe h HIS 195 Ca -0.08 -0.04 -0.31 0.00 -0.00 0.00 0.00 60.37 59.94 2woe h HIS 195 Cb 1.54 -0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 28.75 2woe h HIS 195 CO 0.07 0.54 -1.53 -0.56 -0.00 0.00 0.00 177.93 176.45 2woe h GLN 196 N 0.64 0.29 -3.49 5.26 3.07 -1.28 -3.43 115.11 116.17 2woe h GLN 196 Ca 0.15 -0.49 -0.57 0.00 0.09 0.00 0.00 58.65 57.83 2woe h GLN 196 Cb 0.20 0.18 -0.40 0.00 0.08 0.00 0.00 27.48 27.54 2woe h GLN 196 CO -0.01 1.17 -0.76 -1.01 0.09 0.00 0.00 178.83 178.31 2woe s HIS 197 N -2.61 1.50 0.56 0.06 3.76 -0.37 -5.02 115.29 113.17 2woe s HIS 197 Ca -0.09 -1.55 0.29 0.00 -0.15 0.00 0.00 55.06 53.55 2woe s HIS 197 Cb 0.06 -1.55 1.73 0.00 1.11 0.00 0.00 32.58 33.94 2woe s HIS 197 CO 0.86 -0.84 2.22 0.07 -0.85 0.00 0.00 174.74 176.20 2woe h ARG 198 N 8.14 0.00 -0.95 1.40 0.11 -1.70 -2.00 114.38 119.38 2woe h ARG 198 Ca -0.15 0.00 0.37 0.00 0.10 0.00 0.00 59.98 60.30 2woe h ARG 198 Cb 1.03 0.00 -0.17 0.00 1.11 0.00 0.00 29.97 31.93 2woe h ARG 198 CO 0.45 0.02 0.41 -0.25 0.10 0.00 0.00 179.97 180.71 2woe n ASP 199 N -3.83 0.24 0.00 0.08 8.00 -1.26 -0.69 116.55 119.09 2woe n ASP 199 Ca -0.03 1.58 0.13 0.00 0.71 0.00 0.00 54.79 57.18 2woe n ASP 199 Cb 0.11 -0.73 0.69 0.00 -0.02 0.00 0.00 41.12 41.17 2woe n ASP 199 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2woe n PHE 200 N -5.19 0.00 -1.65 1.24 3.72 -0.75 -4.86 117.46 109.96 2woe n PHE 200 Ca 0.33 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.28 2woe n PHE 200 Cb 1.12 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 39.46 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 -1.18 1.91 -1.01 1.38 1.44 0.13 -4.65 115.22 113.25 2woe n HIS 201 Ca 0.15 0.54 0.01 0.00 -2.01 0.00 0.00 57.72 56.41 2woe n HIS 201 Cb 0.16 -2.39 0.01 0.00 0.12 0.00 0.00 29.99 27.89 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 1.18 0.00 -3.85 -1.40 1.16 -1.26 -4.92 117.46 108.37 2woe n PHE 202 Ca 0.10 -0.19 -0.21 0.00 -1.87 0.00 0.00 57.45 55.28 2woe n PHE 202 Cb 0.32 -0.03 -0.17 0.00 -1.61 0.00 0.00 39.48 37.98 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 -0.45 0.50 0.51 3.97 0.41 -1.26 -2.57 118.70 119.82 2woe s GLU 203 Ca 0.03 0.10 -0.22 0.00 -0.41 0.00 0.00 54.97 54.47 2woe s GLU 203 Cb 0.02 -0.81 -0.06 0.00 -1.78 0.00 0.00 34.13 31.51 2woe s GLU 203 CO 0.00 -0.24 1.31 -1.25 -0.49 0.00 0.00 175.26 174.59 2woe s PRO 204 N 1.66 3.35 0.07 0.39 0.04 -1.26 -5.10 135.00 134.15 2woe s PRO 204 Ca -0.00 2.13 -0.31 0.00 0.04 0.00 0.00 61.00 62.86 2woe s PRO 204 Cb -0.13 -2.33 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 2woe s PRO 204 CO -0.04 -0.99 1.26 -0.47 0.04 0.00 0.00 177.00 176.80 2woe s TYR 205 N -1.35 3.36 -2.52 0.56 5.04 -1.06 -4.95 117.35 116.42 2woe s TYR 205 Ca 0.68 1.19 0.24 0.00 -2.44 0.00 0.00 57.07 56.74 2woe s TYR 205 Cb -0.38 -3.50 0.20 0.00 0.35 0.00 0.00 41.96 38.64 2woe s TYR 205 CO 0.45 -1.62 1.24 1.63 -1.34 0.00 0.00 175.55 175.91 2woe n LYS 206 N 4.02 1.76 -0.83 4.97 4.76 -1.26 -4.99 118.16 126.59 2woe n LYS 206 Ca 0.10 -1.42 0.00 0.00 -2.87 0.00 0.00 58.31 54.12 2woe n LYS 206 Cb 0.45 -1.47 0.00 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 1.37 0.50 3.77 0.72 0.00 -1.26 -5.04 105.19 105.24 2woe n GLY 207 Ca 0.12 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.47 4.04 -0.12 1.61 -1.52 -1.26 -4.99 119.66 115.95 2woe s GLN 208 Ca 0.00 -0.05 0.19 0.00 -1.95 0.00 0.00 55.36 53.55 2woe s GLN 208 Cb 0.00 -3.36 0.37 0.00 -0.22 0.00 0.00 33.01 29.80 2woe s GLN 208 CO 0.00 0.40 1.17 -1.13 -0.25 0.00 0.00 175.29 175.48 2woe n SER 209 N 3.11 0.50 -3.79 5.90 3.41 -1.26 -4.47 113.62 117.01 2woe n SER 209 Ca -0.15 -2.03 -0.30 0.00 -0.26 0.00 0.00 58.87 56.12 2woe n SER 209 Cb 0.53 -0.12 0.23 0.00 -0.26 0.00 0.00 64.21 64.59 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 -2.23 1.32 0.00 4.04 1.04 -1.26 0.19 113.70 116.79 2woe s SER 210 Ca 0.23 0.47 0.23 0.00 0.48 0.00 0.00 55.95 57.35 2woe s SER 210 Cb 0.31 -0.60 1.23 0.00 0.10 0.00 0.00 66.02 67.06 2woe s SER 210 CO -0.10 -3.86 1.75 0.00 0.98 0.00 0.00 173.24 172.01 2woe n ALA 211 N -4.56 2.23 -1.73 5.32 0.00 -1.26 -3.34 120.51 117.18 2woe n ALA 211 Ca 0.15 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 2woe n ALA 211 Cb 0.60 -1.37 -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 -0.47 0.00 0.00 0.00 177.50 177.03 2woe s TYR 212 N -2.37 2.77 0.40 0.00 5.04 -1.26 -0.73 117.35 121.20 2woe s TYR 212 Ca 0.26 0.28 0.08 0.00 -2.44 0.00 0.00 57.07 55.25 2woe s TYR 212 Cb 0.15 -4.14 0.86 0.00 0.35 0.00 0.00 41.96 39.18 2woe s TYR 212 CO 0.32 -4.40 2.02 0.97 -1.34 0.00 0.00 175.55 173.12 2woe h ILE 213 N 3.97 1.05 0.37 3.14 6.09 -1.20 -0.10 117.51 130.83 2woe h ILE 213 Ca -0.44 -0.20 -0.02 0.00 -1.37 0.00 0.00 64.86 62.84 2woe h ILE 213 Cb 1.20 0.42 0.00 0.00 0.47 0.00 0.00 36.82 38.92 2woe h ILE 213 CO 0.96 0.11 -0.18 0.58 -3.07 0.00 0.00 178.15 176.54 2woe h VAL 214 N 0.58 0.65 -0.35 2.19 2.07 -1.90 0.54 116.25 120.03 2woe h VAL 214 Ca 0.21 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.56 2woe h VAL 214 Cb 0.11 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 2woe h VAL 214 CO -0.05 0.05 -0.07 0.44 0.02 0.00 0.00 177.57 177.95 2woe h ASP 215 N -0.62 -0.29 -0.22 0.57 5.19 -1.58 -0.59 116.42 118.86 2woe h ASP 215 Ca -0.05 0.10 0.03 0.00 -0.62 0.00 0.00 57.03 56.49 2woe h ASP 215 Cb 0.45 0.20 -0.03 0.00 0.18 0.00 0.00 39.33 40.14 2woe h ASP 215 CO 0.08 -0.10 0.05 0.74 -3.12 0.00 0.00 179.24 176.89 2woe h THR 216 N 0.01 0.91 -0.20 0.35 2.02 -0.93 -1.81 112.91 113.26 2woe h THR 216 Ca 0.17 -0.05 -0.17 0.00 0.77 0.00 0.00 66.41 67.13 2woe h THR 216 Cb 0.25 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2woe h THR 216 CO -0.35 0.03 -0.55 0.24 0.37 0.00 0.00 175.52 175.26 2woe h MET 217 N 0.14 0.61 -0.86 6.66 2.86 -0.58 -0.97 114.93 122.80 2woe h MET 217 Ca 0.10 -0.39 0.04 0.00 -2.06 0.00 0.00 59.70 57.40 2woe h MET 217 Cb 0.09 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 2woe h MET 217 CO -0.13 1.00 0.55 1.96 1.06 0.00 0.00 176.91 181.35 2woe h GLN 218 N 0.47 1.01 0.11 1.72 4.20 -0.99 -0.44 115.11 121.19 2woe h GLN 218 Ca 0.01 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2woe h GLN 218 Cb 1.11 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.66 2woe h GLN 218 CO 0.11 0.67 -0.05 1.15 -0.67 0.00 0.00 178.83 180.04 2woe h THR 219 N 1.05 1.09 -0.06 -0.54 2.02 -1.12 -2.02 112.91 113.33 2woe h THR 219 Ca 0.35 -1.16 0.03 0.00 0.77 0.00 0.00 66.41 66.41 2woe h THR 219 Cb 0.06 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 2woe h THR 219 CO -0.13 0.26 -0.19 0.58 0.37 0.00 0.00 175.52 176.41 2woe h VAL 220 N -0.73 0.53 -0.66 3.16 2.07 -1.16 -2.38 116.25 117.08 2woe h VAL 220 Ca -0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 2woe h VAL 220 Cb 0.54 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2woe h VAL 220 CO 0.02 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.79 2woe h LEU 221 N -0.28 0.93 -0.10 2.57 3.38 -1.16 0.15 115.31 120.79 2woe h LEU 221 Ca 0.08 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2woe h LEU 221 Cb 0.39 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2woe h LEU 221 CO -0.22 0.86 0.06 -0.74 0.09 0.00 0.00 178.44 178.49 2woe h HIS 222 N 0.94 0.13 -0.11 1.13 2.76 -1.26 -1.77 115.15 116.98 2woe h HIS 222 Ca 0.22 -0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 58.19 2woe h HIS 222 Cb 0.24 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 2woe h HIS 222 CO 0.02 0.13 -0.74 1.88 -1.30 0.00 0.00 177.93 177.92 2woe h TYR 223 N 0.09 0.72 -0.53 5.26 0.05 -1.30 -1.91 116.97 119.35 2woe h TYR 223 Ca 0.04 -0.32 0.02 0.00 0.05 0.00 0.00 58.73 58.52 2woe h TYR 223 Cb 0.04 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 2woe h TYR 223 CO -0.06 1.10 0.33 -0.92 -1.05 0.00 0.00 178.16 177.56 2woe h TYR 224 N 0.37 0.61 0.00 4.88 3.20 -0.91 -2.72 116.97 122.39 2woe h TYR 224 Ca -0.04 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 2woe h TYR 224 Cb 1.33 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.40 2woe h TYR 224 CO 0.06 0.35 -0.08 0.74 -1.64 0.00 0.00 178.16 177.60 2woe h PHE 225 N 0.65 0.00 -0.01 -3.82 0.04 -1.20 -3.27 116.94 109.33 2woe h PHE 225 Ca 0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.98 2woe h PHE 225 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2woe h PHE 225 CO -0.06 0.00 -0.64 1.33 -0.60 0.00 0.00 178.31 178.35 2woe n VAL 226 N -3.07 0.00 -3.77 -0.55 0.24 -0.73 -4.97 118.33 105.49 2woe n VAL 226 Ca 0.04 -0.10 -0.22 0.00 -2.04 0.00 0.00 64.34 62.02 2woe n VAL 226 Cb 0.53 0.85 -0.04 0.00 -1.47 0.00 0.00 33.84 33.71 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 -2.76 2.94 -0.00 3.34 -4.23 -1.03 -5.07 115.64 108.83 2woe s THR 227 Ca 0.14 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 2woe s THR 227 Cb 0.17 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.97 2woe s THR 227 CO 0.69 -0.08 0.63 -0.90 -0.54 0.00 0.00 174.62 174.42 2woe n ASP 228 N -1.41 0.37 -4.11 3.99 5.68 -1.26 -4.96 116.55 114.85 2woe n ASP 228 Ca 0.01 -1.27 -0.08 0.00 -0.50 0.00 0.00 54.79 52.94 2woe n ASP 228 Cb 0.61 -0.02 -0.10 0.00 -1.14 0.00 0.00 41.12 40.47 2woe n ASP 228 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2woe s THR 229 N -0.21 0.17 0.11 2.12 -4.23 -1.26 -5.05 115.64 107.28 2woe s THR 229 Ca 0.00 -1.84 -0.19 0.00 -1.18 0.00 0.00 61.69 58.48 2woe s THR 229 Cb 0.00 -1.73 -0.06 0.00 1.34 0.00 0.00 72.50 72.05 2woe s THR 229 CO 0.00 -0.78 1.68 0.15 -0.54 0.00 0.00 174.62 175.13 2woe h PHE 230 N 3.03 0.36 -0.37 3.99 3.57 -1.88 -2.33 116.94 123.31 2woe h PHE 230 Ca -0.34 -0.02 0.02 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 39.76 2woe h PHE 230 CO 0.49 0.35 0.19 -0.22 -2.23 0.00 0.00 178.31 176.88 2woe h LYS 231 N 0.27 0.37 -0.32 1.11 3.64 -1.97 -2.10 116.57 117.56 2woe h LYS 231 Ca 0.09 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 2woe h LYS 231 Cb 0.12 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2woe h LYS 231 CO -0.01 0.25 -0.38 0.66 -2.27 0.00 0.00 179.45 177.70 2woe h SER 232 N 0.39 0.80 -0.10 4.20 4.64 -1.96 -1.71 113.55 119.80 2woe h SER 232 Ca 0.15 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2woe h SER 232 Cb 0.05 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 2woe h SER 232 CO -0.10 1.09 0.05 0.00 -0.87 0.00 0.00 176.83 177.00 2woe h LEU 234 N 0.11 0.53 0.07 0.00 -0.00 -1.32 -1.32 115.31 113.38 2woe h LEU 234 Ca 0.04 -0.44 -0.00 0.00 -0.00 0.00 0.00 57.88 57.47 2woe h LEU 234 Cb -0.00 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.51 2woe h LEU 234 CO -0.02 0.86 -0.04 0.40 -0.00 0.00 0.00 178.44 179.64 2woe h ILE 235 N 0.21 0.92 -0.55 1.22 2.04 -1.30 -1.03 117.51 119.01 2woe h ILE 235 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 2woe h ILE 235 Cb 0.69 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 2woe h ILE 235 CO 0.04 0.00 0.32 1.56 0.00 0.00 0.00 178.15 180.07 2woe h GLN 236 N -0.10 0.76 0.53 2.37 4.20 -1.33 -1.68 115.11 119.85 2woe h GLN 236 Ca -0.01 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 2woe h GLN 236 Cb 0.08 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 2woe h GLN 236 CO 0.01 0.57 -0.30 1.15 -0.67 0.00 0.00 178.83 179.59 2woe h THR 237 N 0.74 0.38 -0.08 -0.54 2.02 -1.06 -3.03 112.91 111.34 2woe h THR 237 Ca 0.19 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.29 2woe h THR 237 Cb 0.02 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2woe h THR 237 CO -0.03 0.00 -0.32 -0.37 0.37 0.00 0.00 175.52 175.17 2woe h VAL 238 N -0.78 1.26 0.00 3.16 -1.51 -1.14 -2.31 116.25 114.94 2woe h VAL 238 Ca -0.06 -1.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.17 2woe h VAL 238 Cb 0.62 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 2woe h VAL 238 CO 0.08 0.37 0.00 0.59 -1.23 0.00 0.00 177.57 177.38 2woe n ASN 239 N -4.12 0.00 0.20 4.19 3.02 -0.64 -1.61 115.26 116.30 2woe n ASN 239 Ca -0.01 0.05 0.08 0.00 -0.03 0.00 0.00 54.58 54.66 2woe n ASN 239 Cb 0.40 -0.31 0.37 0.00 -0.61 0.00 0.00 39.78 39.63 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 -1.29 -3.41 115.11 119.69 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 0.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.76 2woe h GLN 240 CO 0.00 0.30 0.00 0.41 -2.65 0.00 0.00 178.83 176.89 2woe n GLY 241 N 0.31 -0.89 7.00 2.39 0.00 -0.64 -3.31 105.19 110.05 2woe n GLY 241 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 2.61 2.54 -0.02 0.00 -0.30 -3.94 105.19 106.08 2woe n GLY 242 Ca 0.00 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 6.46 7.06 0.23 1.61 2.03 0.13 -0.72 116.55 133.34 2woe n ASP 243 Ca 0.00 -2.91 0.11 0.00 0.52 0.00 0.00 54.79 52.50 2woe n ASP 243 Cb 0.00 -1.49 0.45 0.00 -0.72 0.00 0.00 41.12 39.36 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 5.16 1.00 -0.31 -1.67 0.00 -1.80 -1.76 119.26 119.88 2woe h ALA 244 Ca 0.68 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 55.30 2woe h ALA 244 Cb 0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2woe h ALA 244 CO 1.67 0.24 -0.27 0.38 0.00 0.00 0.00 179.25 181.27 2woe h ASP 245 N 0.00 0.64 0.09 0.00 2.03 -1.81 -0.42 116.42 116.96 2woe h ASP 245 Ca -0.00 -0.24 -0.25 0.00 -0.73 0.00 0.00 57.03 55.81 2woe h ASP 245 Cb 0.76 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 39.08 2woe h ASP 245 CO 0.03 0.89 -1.27 0.74 -1.03 0.00 0.00 179.24 178.59 2woe h THR 246 N 0.54 1.08 -0.92 1.15 2.02 -1.74 0.20 112.91 115.24 2woe h THR 246 Ca 0.07 -2.37 -0.01 0.00 0.77 0.00 0.00 66.41 64.88 2woe h THR 246 Cb 0.75 2.71 -0.04 0.00 -1.74 0.00 0.00 68.15 69.83 2woe h THR 246 CO 0.06 0.65 0.54 0.71 0.37 0.00 0.00 175.52 177.85 2woe h THR 247 N -0.45 1.26 -0.50 3.16 1.35 -1.47 -0.57 112.91 115.69 2woe h THR 247 Ca -0.28 -0.57 -0.04 0.00 -0.55 0.00 0.00 66.41 64.96 2woe h THR 247 Cb 1.64 -0.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.01 2woe h THR 247 CO 0.02 0.27 0.15 1.23 -0.25 0.00 0.00 175.52 176.94 2woe h GLY 248 N 1.27 0.85 0.92 5.82 0.00 -1.13 0.06 103.07 110.86 2woe h GLY 248 Ca 0.33 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 47.16 2woe h GLY 248 CO -0.06 0.48 0.10 0.00 0.00 0.00 0.00 176.54 177.06 2woe h ALA 249 N 1.01 0.23 -0.33 3.60 0.00 -0.29 0.07 119.26 123.55 2woe h ALA 249 Ca 0.16 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 2woe h ALA 249 Cb 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2woe h ALA 249 CO -0.00 -0.32 -0.44 -0.07 0.00 0.00 0.00 179.25 178.41 2woe h LEU 250 N 0.21 0.91 -1.01 0.00 3.38 -1.09 -0.37 115.31 117.34 2woe h LEU 250 Ca 0.08 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 2woe h LEU 250 Cb 0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2woe h LEU 250 CO -0.05 1.21 0.18 0.00 0.09 0.00 0.00 178.44 179.87 2woe h ALA 251 N 0.82 1.20 -0.61 1.53 0.00 -0.94 -1.86 119.26 119.40 2woe h ALA 251 Ca 0.04 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2woe h ALA 251 Cb 1.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2woe h ALA 251 CO 0.10 0.56 0.04 0.78 0.00 0.00 0.00 179.25 180.73 2woe h GLY 252 N 0.99 1.12 0.98 0.00 0.00 -0.66 0.13 103.07 105.63 2woe h GLY 252 Ca 0.19 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 2woe h GLY 252 CO -0.01 0.72 -0.15 1.98 0.00 0.00 0.00 176.54 179.08 2woe h MET 253 N 0.96 -0.39 -0.21 4.80 -1.53 -0.85 0.22 114.93 117.92 2woe h MET 253 Ca 0.18 0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.44 2woe h MET 253 Cb 0.50 0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.63 2woe h MET 253 CO 0.02 -0.25 0.01 -0.07 0.14 0.00 0.00 176.91 176.77 2woe h LEU 254 N -0.43 0.36 -0.47 3.39 3.38 -1.25 -2.01 115.31 118.27 2woe h LEU 254 Ca -0.04 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2woe h LEU 254 Cb 0.33 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2woe h LEU 254 CO 0.07 0.57 0.25 0.00 0.09 0.00 0.00 178.44 179.42 2woe h ALA 255 N 0.81 0.60 -0.92 1.53 0.00 -0.76 -1.37 119.26 119.15 2woe h ALA 255 Ca 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2woe h ALA 255 Cb 0.37 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2woe h ALA 255 CO 0.01 0.13 0.52 0.78 0.00 0.00 0.00 179.25 180.69 2woe h GLY 256 N 0.62 1.36 2.00 0.00 0.00 -0.52 0.33 103.07 106.86 2woe h GLY 256 Ca 0.16 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 2woe h GLY 256 CO -0.03 0.58 -0.46 0.00 0.00 0.00 0.00 176.54 176.63 2woe h ALA 257 N 1.28 1.14 0.17 3.60 0.00 -1.09 -0.01 119.26 124.34 2woe h ALA 257 Ca 0.32 -0.42 -0.27 0.00 0.00 0.00 0.00 54.91 54.55 2woe h ALA 257 Cb 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.74 2woe h ALA 257 CO -0.05 0.57 -1.24 1.15 0.00 0.00 0.00 179.25 179.68 2woe h THR 258 N 0.00 1.26 0.00 0.00 2.02 -0.55 -3.41 112.91 112.24 2woe h THR 258 Ca -0.00 -2.54 -0.03 0.00 0.77 0.00 0.00 66.41 64.61 2woe h THR 258 Cb 0.87 2.99 -0.01 0.00 -1.74 0.00 0.00 68.15 70.26 2woe h THR 258 CO 0.06 0.75 -1.81 -1.22 0.37 0.00 0.00 175.52 173.67 2woe n TYR 259 N -3.92 0.00 0.00 3.16 4.01 0.04 -4.91 117.16 115.54 2woe n TYR 259 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 2woe n TYR 259 Cb 0.94 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 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 1.60 0.74 0.36 2.72 0.00 -0.02 -4.39 105.19 106.21 2woe n GLY 260 Ca -0.06 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.35 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 0.87 0.00 1.61 3.04 -1.46 -1.38 116.25 118.94 2woe h VAL 261 Ca 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 2woe h VAL 261 Cb 0.00 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 29.69 2woe h VAL 261 CO 0.00 0.08 0.00 0.44 -1.01 0.00 0.00 177.57 177.08 2woe h ASP 262 N 0.43 0.00 0.28 3.17 3.32 -1.86 -2.41 116.42 119.34 2woe h ASP 262 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2woe h ASP 262 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2woe h ASP 262 CO -0.09 0.00 -0.17 -0.67 -1.72 0.00 0.00 179.24 176.59 2woe n ASP 263 N -2.84 0.79 -4.68 6.45 2.03 -0.52 -4.81 116.55 112.96 2woe n ASP 263 Ca -0.00 -0.78 -0.42 0.00 0.52 0.00 0.00 54.79 54.10 2woe n ASP 263 Cb 0.20 0.03 -0.03 0.00 -0.72 0.00 0.00 41.12 40.60 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 -2.45 4.77 0.14 5.18 1.01 -0.91 -4.42 121.20 124.53 2woe s ILE 264 Ca 0.28 2.02 -0.34 0.00 0.00 0.00 0.00 60.65 62.61 2woe s ILE 264 Cb 0.20 -4.31 -0.14 0.00 0.01 0.00 0.00 42.46 38.22 2woe s ILE 264 CO 0.48 -0.02 1.58 -2.65 0.00 0.00 0.00 174.94 174.33 2woe n PRO 265 N 5.20 2.09 0.01 2.79 -0.02 -1.26 -4.85 135.00 138.96 2woe n PRO 265 Ca 0.09 0.75 0.14 0.00 -2.02 0.00 0.00 63.50 62.46 2woe n PRO 265 Cb 0.48 -2.52 0.59 0.00 -0.02 0.00 0.00 33.50 32.03 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 6.01 0.18 0.75 2.55 4.64 -1.93 -0.70 113.55 125.05 2woe h SER 266 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2woe h SER 266 Cb 1.26 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2woe h SER 266 CO 0.88 0.11 0.00 1.23 -0.87 0.00 0.00 176.83 178.18 2woe h GLY 267 N 0.20 0.00 0.00 -0.77 0.00 -1.99 -0.84 103.07 99.67 2woe h GLY 267 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.34 2woe h GLY 267 CO -0.04 0.00 -1.24 0.79 0.00 0.00 0.00 176.54 176.05 2woe n TRP 268 N -2.94 0.83 -0.25 5.60 8.01 -0.34 -4.42 117.44 123.93 2woe n TRP 268 Ca 0.00 0.36 0.06 0.00 -1.31 0.00 0.00 57.50 56.61 2woe n TRP 268 Cb 0.24 -0.99 0.19 0.00 -2.01 0.00 0.00 31.31 28.74 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 0.08 -0.29 -0.99 3.38 -1.33 -1.42 115.31 113.75 2woe h LEU 269 Ca -0.30 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2woe h LEU 269 Cb 1.15 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2woe h LEU 269 CO -0.18 -0.01 0.00 -1.54 0.09 0.00 0.00 178.44 176.80 2woe n SER 270 N -5.12 0.28 0.06 -0.43 3.41 -0.32 -2.41 113.62 109.08 2woe n SER 270 Ca 0.15 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 2woe n SER 270 Cb 0.46 -0.63 0.23 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.81 0.25 -1.91 4.33 4.76 -0.53 -4.89 118.16 118.36 2woe n LYS 271 Ca 0.03 0.10 -0.38 0.00 -2.87 0.00 0.00 58.31 55.18 2woe n LYS 271 Cb 0.20 -1.68 0.03 0.00 -1.84 0.00 0.00 35.03 31.73 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 -4.12 3.90 0.29 -0.35 1.43 -1.01 -4.20 118.68 114.61 2woe s LEU 272 Ca 0.08 2.64 -0.30 0.00 -1.03 0.00 0.00 54.13 55.51 2woe s LEU 272 Cb 0.14 -4.26 -0.12 0.00 0.03 0.00 0.00 46.19 41.98 2woe s LEU 272 CO 0.69 -1.39 1.61 -0.67 0.23 0.00 0.00 176.35 176.82 2woe n ASP 273 N -0.87 3.87 -0.37 2.29 2.03 -1.26 -4.84 116.55 117.40 2woe n ASP 273 Ca 0.09 1.14 0.01 0.00 0.52 0.00 0.00 54.79 56.56 2woe n ASP 273 Cb 0.46 -1.59 0.15 0.00 -0.72 0.00 0.00 41.12 39.42 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 4.94 1.18 -0.82 -0.67 2.86 -1.94 0.04 114.93 120.52 2woe h MET 274 Ca -0.47 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.08 2woe h MET 274 Cb 1.22 -0.27 -0.04 0.00 0.06 0.00 0.00 31.60 32.58 2woe h MET 274 CO 0.81 0.78 0.41 -0.22 1.06 0.00 0.00 176.91 179.75 2woe h LYS 275 N 1.22 1.17 -0.07 1.72 3.64 -1.99 -0.52 116.57 121.74 2woe h LYS 275 Ca 0.41 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 2woe h LYS 275 Cb 0.08 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2woe h LYS 275 CO -0.15 0.89 -0.02 0.28 -2.27 0.00 0.00 179.45 178.18 2woe h VAL 276 N 1.16 1.31 -0.83 2.00 2.07 -1.72 -2.32 116.25 117.91 2woe h VAL 276 Ca 0.28 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.85 2woe h VAL 276 Cb 0.09 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 2woe h VAL 276 CO -0.04 0.27 0.54 -0.08 0.02 0.00 0.00 177.57 178.28 2woe h GLU 277 N -0.21 1.06 -0.60 1.57 4.81 -0.83 -1.70 114.58 118.67 2woe h GLU 277 Ca 0.02 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2woe h GLU 277 Cb 0.44 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2woe h GLU 277 CO 0.01 0.70 0.31 0.00 -0.73 0.00 0.00 179.01 179.29 2woe h ARG 278 N 1.09 0.86 -0.46 1.92 3.08 -1.08 -1.86 114.38 117.93 2woe h ARG 278 Ca 0.31 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 60.16 2woe h ARG 278 Cb -0.09 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 2woe h ARG 278 CO -0.08 0.68 -0.07 1.49 -1.07 0.00 0.00 179.97 180.91 2woe h GLU 279 N 0.82 0.81 -0.34 0.04 4.57 -1.16 -0.81 114.58 118.51 2woe h GLU 279 Ca 0.21 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 2woe h GLU 279 Cb 0.09 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2woe h GLU 279 CO -0.03 0.86 0.13 0.82 -1.18 0.00 0.00 179.01 179.61 2woe h ILE 280 N 0.74 1.19 -0.61 2.32 2.04 -1.14 -1.00 117.51 121.04 2woe h ILE 280 Ca 0.13 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 2woe h ILE 280 Cb 0.55 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2woe h ILE 280 CO 0.03 0.21 0.28 0.03 0.00 0.00 0.00 178.15 178.70 2woe h ARG 281 N 0.40 0.89 -0.66 2.37 3.08 -1.18 -0.40 114.38 118.89 2woe h ARG 281 Ca 0.11 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 60.03 2woe h ARG 281 Cb 0.20 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2woe h ARG 281 CO -0.01 0.73 0.43 -0.09 -1.07 0.00 0.00 179.97 179.97 2woe h ARG 282 N 0.85 0.86 -0.31 0.04 2.43 -1.04 -2.67 114.38 114.52 2woe h ARG 282 Ca 0.21 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.17 2woe h ARG 282 Cb 0.14 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2woe h ARG 282 CO -0.02 0.57 -0.45 1.96 -1.51 0.00 0.00 179.97 180.51 2woe h GLN 283 N 0.88 0.81 -0.76 0.20 4.20 -0.79 -1.50 115.11 118.15 2woe h GLN 283 Ca 0.24 -0.46 0.05 0.00 0.06 0.00 0.00 58.65 58.55 2woe h GLN 283 Cb -0.09 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.67 2woe h GLN 283 CO -0.06 1.09 0.47 0.28 -0.67 0.00 0.00 178.83 179.94 2woe h VAL 284 N 0.65 1.05 -0.15 -0.54 2.07 -1.02 0.16 116.25 118.46 2woe h VAL 284 Ca 0.04 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2woe h VAL 284 Cb 1.03 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2woe h VAL 284 CO 0.10 0.16 0.04 0.44 0.02 0.00 0.00 177.57 178.33 2woe h ASP 285 N 0.87 0.22 -0.76 0.57 3.32 -1.28 -1.32 116.42 118.05 2woe h ASP 285 Ca 0.32 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 2woe h ASP 285 Cb 0.11 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2woe h ASP 285 CO -0.15 0.39 0.24 0.00 -1.72 0.00 0.00 179.24 178.00 2woe h ALA 286 N 0.84 0.99 -0.33 3.45 0.00 -0.96 -1.70 119.26 121.56 2woe h ALA 286 Ca 0.05 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 2woe h ALA 286 Cb 0.25 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2woe h ALA 286 CO -0.00 0.67 -0.46 -0.07 0.00 0.00 0.00 179.25 179.40 2woe h LEU 287 N 1.13 0.95 -0.76 0.00 4.07 -0.66 -1.69 115.31 118.35 2woe h LEU 287 Ca 0.24 -0.47 -0.11 0.00 0.08 0.00 0.00 57.88 57.63 2woe h LEU 287 Cb 0.30 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 2woe h LEU 287 CO -0.01 1.26 -0.23 -0.07 -1.08 0.00 0.00 178.44 178.31 2woe h LEU 288 N 0.70 0.70 -0.95 1.67 3.38 -1.13 0.14 115.31 119.81 2woe h LEU 288 Ca 0.04 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 2woe h LEU 288 Cb 1.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2woe h LEU 288 CO 0.10 0.91 -0.08 0.00 0.09 0.00 0.00 178.44 179.47 2woe h ALA 289 N 1.14 1.12 0.00 1.53 0.00 -1.22 -0.39 119.26 121.45 2woe h ALA 289 Ca 0.09 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2woe h ALA 289 Cb 0.71 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2woe h ALA 289 CO 0.05 0.55 -0.55 1.25 0.00 0.00 0.00 179.25 180.56 2woe h LEU 290 N 0.63 0.00 -1.07 0.00 5.85 -0.98 -3.12 115.31 116.61 2woe h LEU 290 Ca 0.12 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2woe h LEU 290 Cb 0.51 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2woe h LEU 290 CO 0.03 0.55 -0.36 0.00 -0.34 0.00 0.00 178.44 178.32 2woe h ALA 291 N 1.45 1.07 0.00 1.25 0.00 -0.04 -3.47 119.26 119.53 2woe h ALA 291 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2woe h ALA 291 Cb 1.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2woe h ALA 291 CO 0.07 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.18 2woe n GLY 292 N 0.05 0.62 0.00 0.00 0.00 -0.83 -2.50 105.19 102.53 2woe n GLY 292 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2woe n GLY 292 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36