#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xea s LEU 3 N 0.00 2.17 -0.14 2.46 1.43 -0.64 -5.05 118.68 118.91 1xea s LEU 3 Ca 0.00 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1xea s LEU 3 Cb 0.00 -0.16 0.01 0.00 0.03 0.00 0.00 46.19 46.07 1xea s LEU 3 CO 0.00 -0.13 -0.21 -0.75 0.23 0.00 0.00 176.35 175.49 1xea s LYS 4 N -1.08 2.89 0.04 1.70 2.20 -1.26 -0.32 119.74 123.91 1xea s LYS 4 Ca -0.07 -0.81 0.06 0.00 -0.36 0.00 0.00 55.97 54.80 1xea s LYS 4 Cb -0.07 -2.37 -0.02 0.00 -1.51 0.00 0.00 37.83 33.85 1xea s LYS 4 CO 0.00 -0.05 -0.18 0.42 -0.36 0.00 0.00 175.35 175.17 1xea s ILE 5 N 0.92 1.48 0.00 5.43 1.01 0.89 -1.14 121.20 129.79 1xea s ILE 5 Ca -0.05 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.50 1xea s ILE 5 Cb -0.15 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.03 1xea s ILE 5 CO -0.04 0.16 0.00 0.00 0.00 0.00 0.00 174.94 175.06 1xea n ALA 6 N 1.92 0.00 -3.65 9.38 0.00 -0.90 -0.74 120.51 126.53 1xea n ALA 6 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1xea n ALA 6 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 1xea n ALA 6 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xea s ILE 8 N 1.29 0.00 0.00 0.00 1.09 -1.26 -4.37 121.20 117.95 1xea s ILE 8 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.55 1xea s ILE 8 Cb 0.00 -1.00 0.00 0.00 -1.06 0.00 0.00 42.46 40.40 1xea s ILE 8 CO 0.00 0.00 0.00 0.61 -0.10 0.00 0.00 174.94 175.45 1xea n GLY 9 N 3.27 -0.06 2.96 6.18 0.00 -0.38 -0.91 105.19 116.24 1xea n GLY 9 Ca -0.17 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 1xea n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xea n LEU 10 N -0.29 6.43 0.00 0.99 4.77 -1.26 -3.97 117.00 123.68 1xea n LEU 10 Ca 0.00 -4.61 0.00 0.00 -0.03 0.00 0.00 56.01 51.37 1xea n LEU 10 Cb 0.01 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.60 1xea n LEU 10 CO 0.00 1.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 1xea n GLY 11 N 3.02 1.48 0.12 -0.72 0.00 -1.26 -4.74 105.19 103.09 1xea n GLY 11 Ca 0.39 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 1xea n GLY 11 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xea h ASP 12 N 0.00 0.29 0.07 1.61 -0.00 -1.92 -2.33 116.42 114.14 1xea h ASP 12 Ca 0.00 -0.17 -0.19 0.00 -0.00 0.00 0.00 57.03 56.66 1xea h ASP 12 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 39.25 1xea h ASP 12 CO 0.00 0.38 -0.71 -0.29 -0.00 0.00 0.00 179.24 178.62 1xea h ILE 13 N 0.18 1.33 -0.57 2.25 2.10 -1.94 0.11 117.51 120.97 1xea h ILE 13 Ca 0.07 -2.02 0.04 0.00 1.08 0.00 0.00 64.86 64.03 1xea h ILE 13 Cb 0.19 2.00 -0.05 0.00 -1.09 0.00 0.00 36.82 37.87 1xea h ILE 13 CO -0.01 0.62 0.31 0.00 -1.08 0.00 0.00 178.15 178.00 1xea h ALA 14 N 0.81 0.74 0.01 0.18 0.00 -1.83 -0.71 119.26 118.46 1xea h ALA 14 Ca -0.03 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1xea h ALA 14 Cb 1.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1xea h ALA 14 CO 0.13 -0.01 -0.89 1.96 0.00 0.00 0.00 179.25 180.44 1xea h GLN 15 N 0.60 0.09 0.06 0.00 4.20 -1.37 0.59 115.11 119.28 1xea h GLN 15 Ca 0.25 -0.11 -0.25 0.00 0.06 0.00 0.00 58.65 58.60 1xea h GLN 15 Cb 0.12 0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.94 1xea h GLN 15 CO -0.15 0.92 -1.08 -0.22 -0.67 0.00 0.00 178.83 177.63 1xea h LYS 16 N 0.05 0.39 0.00 1.46 3.64 -0.58 -3.40 116.57 118.12 1xea h LYS 16 Ca -0.03 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1xea h LYS 16 Cb 1.54 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 1xea h LYS 16 CO 0.13 1.18 0.00 0.00 -2.27 0.00 0.00 179.45 178.48 1xea n ALA 17 N -2.56 3.00 -0.07 5.00 0.00 -0.31 -4.81 120.51 120.76 1xea n ALA 17 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 1xea n ALA 17 Cb 0.91 0.04 -0.04 0.00 0.00 0.00 0.00 19.45 20.37 1xea n ALA 17 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1xea h TYR 18 N 0.00 -1.11 0.40 0.00 -1.99 -1.55 -0.73 116.97 111.98 1xea h TYR 18 Ca 0.00 0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 1xea h TYR 18 Cb 0.00 0.53 -0.02 0.00 2.00 0.00 0.00 36.73 39.24 1xea h TYR 18 CO 0.00 -0.43 -0.39 1.25 -0.00 0.00 0.00 178.16 178.58 1xea h LEU 19 N -0.37 -1.06 -2.20 3.88 6.46 -1.15 0.66 115.31 121.53 1xea h LEU 19 Ca 0.12 0.09 0.05 0.00 -0.12 0.00 0.00 57.88 58.02 1xea h LEU 19 Cb 0.58 0.36 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 1xea h LEU 19 CO -0.49 -0.54 0.17 1.55 -0.62 0.00 0.00 178.44 178.51 1xea h PRO 20 N -0.81 0.00 0.07 5.25 0.13 -1.72 0.81 132.00 135.73 1xea h PRO 20 Ca -0.03 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.94 1xea h PRO 20 Cb 0.72 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.87 1xea h PRO 20 CO -0.06 0.00 -0.67 0.28 -0.23 0.00 0.00 178.00 177.32 1xea h VAL 21 N 0.00 1.49 0.00 1.56 2.07 0.12 -3.33 116.25 118.15 1xea h VAL 21 Ca 0.08 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.30 1xea h VAL 21 Cb 0.42 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1xea h VAL 21 CO -0.00 0.66 -0.05 -0.07 0.02 0.00 0.00 177.57 178.13 1xea h LEU 22 N -0.28 0.00 -0.98 2.57 4.07 -0.53 -3.14 115.31 117.02 1xea h LEU 22 Ca -0.10 -0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.77 1xea h LEU 22 Cb 1.45 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.18 1xea h LEU 22 CO 0.13 0.00 -0.11 0.00 -1.08 0.00 0.00 178.44 177.39 1xea h ALA 23 N 2.28 1.15 -0.01 1.53 0.00 -0.96 -2.83 119.26 120.42 1xea h ALA 23 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xea h ALA 23 Cb 0.86 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1xea h ALA 23 CO 0.00 0.54 -0.56 0.00 0.00 0.00 0.00 179.25 179.23 1xea n GLN 24 N -4.19 0.86 -1.99 0.00 -0.00 -1.24 -4.90 117.38 105.92 1xea n GLN 24 Ca 0.01 -0.68 -0.43 0.00 -0.00 0.00 0.00 57.00 55.90 1xea n GLN 24 Cb 0.33 -1.49 -0.03 0.00 -0.00 0.00 0.00 30.24 29.06 1xea n GLN 24 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.06 176.60 1xea s TRP 25 N -2.61 1.85 0.58 2.61 -0.11 -1.07 -4.95 118.94 115.24 1xea s TRP 25 Ca 0.17 0.49 -0.20 0.00 1.22 0.00 0.00 56.10 57.78 1xea s TRP 25 Cb 0.18 -4.05 -0.04 0.00 -1.50 0.00 0.00 33.47 28.07 1xea s TRP 25 CO 0.63 -3.27 1.32 -1.25 -4.62 0.00 0.00 176.95 169.76 1xea s PRO 26 N 5.15 2.95 -0.76 5.86 0.04 -1.26 -3.05 135.00 143.93 1xea s PRO 26 Ca 0.79 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.95 1xea s PRO 26 Cb -0.26 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1xea s PRO 26 CO 0.32 -1.30 0.00 -0.25 0.04 0.00 0.00 177.00 175.81 1xea n ASP 27 N -1.36 -4.59 -4.20 6.66 8.00 -1.26 -5.00 116.55 114.81 1xea n ASP 27 Ca 0.12 0.18 -0.32 0.00 0.71 0.00 0.00 54.79 55.48 1xea n ASP 27 Cb 0.47 -2.71 -0.17 0.00 -0.02 0.00 0.00 41.12 38.68 1xea n ASP 27 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xea s ILE 28 N -2.02 2.00 -0.23 0.53 1.09 -1.17 -1.62 121.20 119.78 1xea s ILE 28 Ca 0.00 -0.98 -0.06 0.00 -1.10 0.00 0.00 60.65 58.51 1xea s ILE 28 Cb 0.00 -1.74 -0.02 0.00 -1.06 0.00 0.00 42.46 39.64 1xea s ILE 28 CO 0.00 0.55 0.02 -0.70 -0.10 0.00 0.00 174.94 174.70 1xea s GLU 29 N 0.45 3.55 0.32 2.79 2.12 0.57 -4.95 118.70 123.54 1xea s GLU 29 Ca -0.16 -0.54 -0.09 0.00 0.36 0.00 0.00 54.97 54.54 1xea s GLU 29 Cb -0.17 -3.17 -0.06 0.00 0.26 0.00 0.00 34.13 30.98 1xea s GLU 29 CO 0.07 -0.17 0.65 -0.51 -0.54 0.00 0.00 175.26 174.76 1xea s LEU 30 N 1.48 4.00 -0.41 2.70 1.43 -1.26 -0.08 118.68 126.55 1xea s LEU 30 Ca 0.06 0.97 0.02 0.00 -1.03 0.00 0.00 54.13 54.14 1xea s LEU 30 Cb -0.15 -3.80 0.14 0.00 0.03 0.00 0.00 46.19 42.42 1xea s LEU 30 CO 0.01 -0.24 0.25 -0.69 0.23 0.00 0.00 176.35 175.91 1xea s VAL 31 N -2.11 0.78 0.25 -1.59 1.01 0.08 -4.40 120.40 114.41 1xea s VAL 31 Ca 0.48 -2.29 -0.30 0.00 0.00 0.00 0.00 61.98 59.88 1xea s VAL 31 Cb -0.11 -1.55 -0.10 0.00 0.00 0.00 0.00 36.38 34.63 1xea s VAL 31 CO 0.27 -0.99 1.35 -0.76 0.00 0.00 0.00 175.10 174.97 1xea s LEU 32 N 0.53 4.41 -0.05 3.92 1.43 -0.37 -4.45 118.68 124.11 1xea s LEU 32 Ca 0.20 2.56 -0.03 0.00 -1.03 0.00 0.00 54.13 55.84 1xea s LEU 32 Cb -0.19 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.44 1xea s LEU 32 CO -0.03 -0.58 0.12 0.00 0.23 0.00 0.00 176.35 176.09 1xea s THR 34 N 0.84 0.00 0.21 0.00 -1.32 -1.08 -1.25 115.64 113.04 1xea s THR 34 Ca -0.07 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.41 1xea s THR 34 Cb -0.09 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.85 1xea s THR 34 CO -0.04 0.00 1.52 0.03 -2.21 0.00 0.00 174.62 173.92 1xea h ARG 35 N 2.30 0.42 -6.56 7.08 3.08 -1.88 -3.39 114.38 115.44 1xea h ARG 35 Ca -0.17 -0.28 -0.56 0.00 0.07 0.00 0.00 59.98 59.05 1xea h ARG 35 Cb 1.18 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 31.21 1xea h ARG 35 CO 0.29 0.89 1.02 1.21 -1.07 0.00 0.00 179.97 182.30 1xea s ASN 36 N -6.92 6.39 0.40 7.04 3.84 -1.26 -4.89 114.94 119.54 1xea s ASN 36 Ca -0.06 0.36 0.07 0.00 0.21 0.00 0.00 52.86 53.44 1xea s ASN 36 Cb 0.11 -2.55 0.83 0.00 -0.55 0.00 0.00 41.25 39.10 1xea s ASN 36 CO 0.82 -1.48 2.05 1.55 -2.79 0.00 0.00 177.10 177.26 1xea h PRO 37 N 10.07 0.57 -0.07 0.43 0.13 -1.98 0.06 132.00 141.21 1xea h PRO 37 Ca -0.25 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1xea h PRO 37 Cb 1.07 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1xea h PRO 37 CO 1.15 0.38 0.01 0.87 -0.23 0.00 0.00 178.00 180.18 1xea h LYS 38 N 0.59 0.12 0.00 0.86 1.57 -1.98 -0.99 116.57 116.73 1xea h LYS 38 Ca 0.16 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1xea h LYS 38 Cb -0.06 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1xea h LYS 38 CO -0.03 0.36 -0.00 0.28 -0.57 0.00 0.00 179.45 179.49 1xea h VAL 39 N -0.14 1.15 -0.50 0.50 2.07 -1.92 -2.34 116.25 115.07 1xea h VAL 39 Ca 0.02 -0.45 0.09 0.00 0.82 0.00 0.00 66.70 67.18 1xea h VAL 39 Cb 0.30 1.46 -0.10 0.00 -1.52 0.00 0.00 31.29 31.43 1xea h VAL 39 CO 0.00 0.12 -0.31 0.25 0.02 0.00 0.00 177.57 177.65 1xea h LEU 40 N -0.20 -1.06 -0.58 2.57 5.85 -0.94 -0.86 115.31 120.09 1xea h LEU 40 Ca -0.00 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1xea h LEU 40 Cb 0.20 0.52 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1xea h LEU 40 CO 0.00 -0.30 0.31 1.23 -0.34 0.00 0.00 178.44 179.34 1xea h GLY 41 N -0.19 0.88 0.68 3.75 0.00 -1.12 0.22 103.07 107.29 1xea h GLY 41 Ca 0.21 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.15 1xea h GLY 41 CO -0.61 0.39 -0.13 -0.84 0.00 0.00 0.00 176.54 175.35 1xea h THR 42 N 0.79 0.67 0.15 4.70 2.02 -0.76 -0.64 112.91 119.84 1xea h THR 42 Ca 0.20 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 1xea h THR 42 Cb 0.06 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1xea h THR 42 CO -0.03 0.00 -0.07 -0.07 0.37 0.00 0.00 175.52 175.72 1xea h LEU 43 N -0.23 -0.17 -1.22 2.58 3.38 -1.05 -0.89 115.31 117.71 1xea h LEU 43 Ca 0.04 -0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.14 1xea h LEU 43 Cb 0.28 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 1xea h LEU 43 CO -0.12 -0.05 0.61 0.00 0.09 0.00 0.00 178.44 178.97 1xea h ALA 44 N 0.55 1.88 0.06 1.53 0.00 -0.72 -1.29 119.26 121.27 1xea h ALA 44 Ca -0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xea h ALA 44 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xea h ALA 44 CO 0.03 -0.21 -0.03 1.15 0.00 0.00 0.00 179.25 180.20 1xea h THR 45 N 0.64 1.27 -0.62 0.00 2.02 -0.85 1.12 112.91 116.48 1xea h THR 45 Ca 0.52 -1.36 0.12 0.00 0.77 0.00 0.00 66.41 66.47 1xea h THR 45 Cb 0.97 2.12 -0.09 0.00 -1.74 0.00 0.00 68.15 69.41 1xea h THR 45 CO -0.28 0.33 0.10 0.03 0.37 0.00 0.00 175.52 176.06 1xea h ARG 46 N -0.72 0.21 -0.63 6.66 3.08 -0.35 -0.39 114.38 122.23 1xea h ARG 46 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1xea h ARG 46 Cb 0.60 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1xea h ARG 46 CO 0.01 0.14 0.00 0.66 -1.07 0.00 0.00 179.97 179.71 1xea n TYR 47 N -5.18 1.68 -3.40 3.04 4.02 -0.56 -4.98 117.16 111.77 1xea n TYR 47 Ca 0.10 -0.63 -0.32 0.00 -0.01 0.00 0.00 57.90 57.05 1xea n TYR 47 Cb 0.35 -0.35 0.03 0.00 -0.02 0.00 0.00 39.34 39.35 1xea n TYR 47 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1xea n ARG 48 N 0.88 -1.97 -3.90 -0.72 1.74 -0.16 -4.99 116.66 107.54 1xea n ARG 48 Ca 0.26 1.50 -0.28 0.00 -0.77 0.00 0.00 57.85 58.56 1xea n ARG 48 Cb 0.99 -2.82 -0.17 0.00 -1.02 0.00 0.00 32.46 29.45 1xea n ARG 48 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xea s VAL 49 N -1.84 1.14 0.08 1.55 1.01 0.38 -5.00 120.40 117.72 1xea s VAL 49 Ca 0.32 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 1xea s VAL 49 Cb -0.04 -1.27 -0.27 0.00 0.00 0.00 0.00 36.38 34.81 1xea s VAL 49 CO 0.86 0.19 1.17 0.28 0.00 0.00 0.00 175.10 177.60 1xea h SER 50 N 8.12 0.51 -2.04 3.32 0.02 -1.88 -3.43 113.55 118.17 1xea h SER 50 Ca -0.26 -0.50 -0.51 0.00 -0.84 0.00 0.00 61.79 59.68 1xea h SER 50 Cb 1.12 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.44 1xea h SER 50 CO 0.41 1.36 1.25 0.00 -1.14 0.00 0.00 176.83 178.72 1xea s ALA 51 N -2.82 2.33 0.01 3.77 0.00 -1.26 -4.95 121.76 118.84 1xea s ALA 51 Ca -0.05 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.05 1xea s ALA 51 Cb 0.07 -4.30 -0.03 0.00 0.00 0.00 0.00 23.12 18.86 1xea s ALA 51 CO 0.89 -3.75 -0.15 0.99 0.00 0.00 0.00 175.76 173.74 1xea s THR 52 N 8.09 3.03 -0.13 0.00 2.01 -1.26 -1.23 115.64 126.15 1xea s THR 52 Ca 0.58 -0.98 -0.16 0.00 0.31 0.00 0.00 61.69 61.43 1xea s THR 52 Cb -0.11 -2.26 0.04 0.00 0.01 0.00 0.00 72.50 70.18 1xea s THR 52 CO 0.18 0.42 0.44 0.00 -0.69 0.00 0.00 174.62 174.97 1xea n THR 54 N 2.43 0.36 -3.79 0.00 5.66 -1.26 -2.62 114.28 115.06 1xea n THR 54 Ca -0.15 -0.25 -0.37 0.00 -3.05 0.00 0.00 64.05 60.23 1xea n THR 54 Cb 0.57 -0.65 -0.13 0.00 -1.55 0.00 0.00 70.33 68.57 1xea n THR 54 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1xea s ASP 55 N -3.62 5.20 0.54 1.09 -1.08 -1.26 -4.15 116.67 113.38 1xea s ASP 55 Ca -0.03 -1.24 0.09 0.00 -0.52 0.00 0.00 52.55 50.85 1xea s ASP 55 Cb 0.02 -1.82 0.48 0.00 -1.46 0.00 0.00 42.92 40.14 1xea s ASP 55 CO 0.26 -0.32 1.20 0.10 0.52 0.00 0.00 175.17 176.93 1xea h TYR 56 N 8.15 0.00 0.00 -5.34 -0.00 -1.94 1.10 116.97 118.94 1xea h TYR 56 Ca -0.22 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.39 1xea h TYR 56 Cb 1.07 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.79 1xea h TYR 56 CO 0.60 0.00 -0.56 0.00 -0.00 0.00 0.00 178.16 178.20 1xea h ARG 57 N 0.00 0.00 0.00 0.10 3.08 -2.02 -3.15 114.38 112.40 1xea h ARG 57 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xea h ARG 57 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1xea h ARG 57 CO 0.00 0.56 0.00 -0.25 -1.07 0.00 0.00 179.97 179.21 1xea n ASP 58 N -3.25 0.00 0.10 7.04 8.00 0.38 -3.17 116.55 125.66 1xea n ASP 58 Ca 0.02 -1.12 -0.05 0.00 0.71 0.00 0.00 54.79 54.35 1xea n ASP 58 Cb 0.76 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.93 1xea n ASP 58 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1xea h VAL 59 N 0.00 1.49 -0.21 2.53 2.07 -1.66 -3.02 116.25 117.46 1xea h VAL 59 Ca 0.00 -2.44 0.06 0.00 0.82 0.00 0.00 66.70 65.14 1xea h VAL 59 Cb 0.00 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1xea h VAL 59 CO 0.00 0.71 0.31 -0.07 0.02 0.00 0.00 177.57 178.54 1xea h LEU 60 N 0.06 0.00 -1.90 2.57 3.38 -1.80 -0.71 115.31 116.90 1xea h LEU 60 Ca -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1xea h LEU 60 Cb 1.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 1xea h LEU 60 CO 0.10 0.00 0.06 0.00 0.09 0.00 0.00 178.44 178.69 1xea n GLN 61 N -3.49 1.41 0.00 1.13 6.02 -1.14 -3.33 117.38 117.99 1xea n GLN 61 Ca 0.02 -0.51 0.00 0.00 -0.01 0.00 0.00 57.00 56.51 1xea n GLN 61 Cb 0.43 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.29 1xea n GLN 61 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1xea n TYR 62 N 0.17 0.00 -3.64 1.08 4.02 -0.27 -5.05 117.16 113.46 1xea n TYR 62 Ca 0.07 -0.04 -0.22 0.00 -0.01 0.00 0.00 57.90 57.70 1xea n TYR 62 Cb 0.56 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.88 1xea n TYR 62 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xea n GLY 63 N -0.04 -1.15 3.86 2.72 0.00 -1.21 -4.90 105.19 104.47 1xea n GLY 63 Ca 0.00 0.53 -0.32 0.00 0.00 0.00 0.00 46.02 46.23 1xea n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xea s VAL 64 N -2.86 4.80 -0.71 1.61 1.01 -1.26 -4.93 120.40 118.06 1xea s VAL 64 Ca 0.00 0.71 0.25 0.00 0.00 0.00 0.00 61.98 62.94 1xea s VAL 64 Cb -0.00 -3.62 0.16 0.00 0.00 0.00 0.00 36.38 32.92 1xea s VAL 64 CO 0.78 -0.14 1.55 0.47 0.00 0.00 0.00 175.10 177.77 1xea n ASP 65 N -0.28 0.71 0.00 3.32 8.00 -0.29 -4.95 116.55 123.06 1xea n ASP 65 Ca 0.02 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1xea n ASP 65 Cb 0.53 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 1xea n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xea n ALA 66 N -1.78 0.00 -3.00 2.24 0.00 -1.24 -4.20 120.51 112.53 1xea n ALA 66 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1xea n ALA 66 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1xea n ALA 66 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1xea n VAL 67 N -0.23 0.00 -3.59 0.00 0.24 -0.64 -2.11 118.33 112.00 1xea n VAL 67 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 1xea n VAL 67 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 1xea n VAL 67 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xea s ILE 69 N 1.72 -0.83 -0.11 1.34 1.01 -0.09 -1.33 121.20 122.92 1xea s ILE 69 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.69 1xea s ILE 69 Cb 0.00 -1.00 0.09 0.00 0.01 0.00 0.00 42.46 41.56 1xea s ILE 69 CO 0.00 0.00 1.06 1.41 0.00 0.00 0.00 174.94 177.41 1xea n HIS 70 N 5.27 0.06 -1.24 3.97 8.25 -0.09 -2.89 115.22 128.55 1xea n HIS 70 Ca -0.12 -0.59 -0.30 0.00 -0.26 0.00 0.00 57.72 56.45 1xea n HIS 70 Cb 0.50 -0.07 0.24 0.00 1.12 0.00 0.00 29.99 31.78 1xea n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xea s ALA 71 N -1.35 0.89 0.76 -1.41 0.00 -1.24 -4.56 121.76 114.85 1xea s ALA 71 Ca 0.08 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 1xea s ALA 71 Cb 0.06 -2.83 0.05 0.00 0.00 0.00 0.00 23.12 20.41 1xea s ALA 71 CO 0.02 -3.46 1.12 0.00 0.00 0.00 0.00 175.76 173.44 1xea s ALA 72 N -3.20 2.17 0.27 0.00 0.00 -1.26 -4.89 121.76 114.84 1xea s ALA 72 Ca 0.72 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 53.16 1xea s ALA 72 Cb -0.07 -3.34 0.54 0.00 0.00 0.00 0.00 23.12 20.25 1xea s ALA 72 CO 0.55 -1.80 1.77 1.15 0.00 0.00 0.00 175.76 177.43 1xea h THR 73 N -0.81 0.75 -1.00 0.00 2.02 -1.94 -2.48 112.91 109.45 1xea h THR 73 Ca -0.45 -0.23 0.40 0.00 0.77 0.00 0.00 66.41 66.91 1xea h THR 73 Cb 1.25 0.03 -0.18 0.00 -1.74 0.00 0.00 68.15 67.51 1xea h THR 73 CO 0.50 0.12 0.54 0.44 0.37 0.00 0.00 175.52 177.49 1xea h ASP 74 N 0.66 0.33 -0.32 4.18 3.32 -1.98 0.14 116.42 122.75 1xea h ASP 74 Ca 0.47 0.25 -0.06 0.00 0.02 0.00 0.00 57.03 57.71 1xea h ASP 74 Cb 0.64 0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.41 1xea h ASP 74 CO -0.35 -0.40 0.01 1.33 -1.72 0.00 0.00 179.24 178.11 1xea n VAL 75 N -5.23 2.40 0.18 -1.35 0.24 -0.94 -4.76 118.33 108.87 1xea n VAL 75 Ca 0.37 -2.03 -0.07 0.00 -2.04 0.00 0.00 64.34 60.56 1xea n VAL 75 Cb 1.24 -0.28 -0.03 0.00 -1.47 0.00 0.00 33.84 33.29 1xea n VAL 75 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 1xea h HIS 76 N 1.71 -0.44 -0.12 6.34 3.86 -0.70 -2.86 115.15 122.93 1xea h HIS 76 Ca 0.07 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1xea h HIS 76 Cb 1.57 0.14 -0.06 0.00 1.06 0.00 0.00 27.41 30.13 1xea h HIS 76 CO 0.68 -0.27 -0.38 0.66 0.86 0.00 0.00 177.93 179.47 1xea h SER 77 N -0.64 -1.18 -0.72 2.45 4.64 -1.79 0.34 113.55 116.66 1xea h SER 77 Ca -0.05 0.16 0.09 0.00 -0.47 0.00 0.00 61.79 61.52 1xea h SER 77 Cb 0.36 0.49 -0.11 0.00 -0.31 0.00 0.00 62.40 62.83 1xea h SER 77 CO 0.08 -0.40 -0.51 0.74 -0.87 0.00 0.00 176.83 175.86 1xea h THR 78 N -0.46 0.03 -0.54 2.95 2.02 -1.88 1.02 112.91 116.05 1xea h THR 78 Ca 0.08 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.17 1xea h THR 78 Cb 0.60 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1xea h THR 78 CO -0.37 0.00 -0.05 -0.07 0.37 0.00 0.00 175.52 175.40 1xea h LEU 79 N -0.17 0.93 0.23 2.58 3.38 -1.22 -2.32 115.31 118.72 1xea h LEU 79 Ca 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1xea h LEU 79 Cb 0.53 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1xea h LEU 79 CO -0.78 1.02 -0.11 0.00 0.09 0.00 0.00 178.44 178.66 1xea h ALA 80 N 1.07 -0.31 -0.72 1.53 0.00 0.17 -2.89 119.26 118.12 1xea h ALA 80 Ca 0.15 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1xea h ALA 80 Cb 0.57 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1xea h ALA 80 CO 0.03 -0.59 0.48 0.00 0.00 0.00 0.00 179.25 179.17 1xea h ALA 81 N 0.27 1.80 -0.27 0.00 0.00 0.99 -1.14 119.26 120.91 1xea h ALA 81 Ca -0.03 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1xea h ALA 81 Cb 0.35 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1xea h ALA 81 CO 0.05 0.06 0.17 0.35 0.00 0.00 0.00 179.25 179.88 1xea h PHE 82 N 0.67 0.32 0.00 0.00 3.57 -1.21 -1.12 116.94 119.16 1xea h PHE 82 Ca 0.33 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.63 1xea h PHE 82 Cb 0.40 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1xea h PHE 82 CO -0.00 0.20 -0.97 0.74 -2.23 0.00 0.00 178.31 176.05 1xea h PHE 83 N 0.35 0.00 0.37 0.41 -1.00 -1.34 -3.23 116.94 112.49 1xea h PHE 83 Ca 0.10 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.86 1xea h PHE 83 Cb -0.03 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.54 1xea h PHE 83 CO -0.07 0.97 -0.18 -0.07 -1.61 0.00 0.00 178.31 177.35 1xea h LEU 84 N 0.00 -0.42 0.00 1.54 3.38 -1.06 -1.08 115.31 117.68 1xea h LEU 84 Ca -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1xea h LEU 84 Cb 1.72 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1xea h LEU 84 CO 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1xea n HIS 85 N -5.20 0.00 -0.75 1.13 1.44 -0.44 -0.75 115.22 110.65 1xea n HIS 85 Ca -0.10 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.68 1xea n HIS 85 Cb 0.27 0.00 0.15 0.00 0.12 0.00 0.00 29.99 30.54 1xea n HIS 85 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1xea n LEU 86 N -0.70 2.83 -3.34 2.39 4.77 -0.91 -5.00 117.00 117.04 1xea n LEU 86 Ca 0.04 -2.74 -0.16 0.00 -0.03 0.00 0.00 56.01 53.12 1xea n LEU 86 Cb 0.02 -0.37 0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1xea n LEU 86 CO 0.03 0.67 0.07 0.61 -1.33 0.00 0.00 177.39 177.44 1xea n GLY 87 N -0.75 -0.77 2.76 -0.72 0.00 0.07 -5.02 105.19 100.76 1xea n GLY 87 Ca 0.14 0.35 -0.19 0.00 0.00 0.00 0.00 46.02 46.32 1xea n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xea s ILE 88 N -3.38 0.13 0.30 -0.61 1.01 -0.46 -5.03 121.20 113.16 1xea s ILE 88 Ca 0.23 0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.80 1xea s ILE 88 Cb -0.03 -0.28 -0.13 0.00 0.01 0.00 0.00 42.46 42.02 1xea s ILE 88 CO 0.74 0.18 1.15 -2.65 0.00 0.00 0.00 174.94 174.35 1xea n PRO 89 N 4.68 1.68 -4.44 2.79 -0.02 -1.26 -4.11 135.00 134.32 1xea n PRO 89 Ca -0.16 0.59 -0.24 0.00 -2.02 0.00 0.00 63.50 61.67 1xea n PRO 89 Cb 0.50 -2.07 -0.17 0.00 -0.02 0.00 0.00 33.50 31.75 1xea n PRO 89 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xea s THR 90 N -0.94 1.00 -0.06 3.45 2.01 -0.83 -1.63 115.64 118.65 1xea s THR 90 Ca 0.59 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 62.19 1xea s THR 90 Cb -0.66 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 1xea s THR 90 CO 0.59 0.33 0.02 0.12 -0.69 0.00 0.00 174.62 174.99 1xea s PHE 91 N 0.80 3.17 -0.06 4.92 5.36 -0.44 -0.96 117.98 130.77 1xea s PHE 91 Ca -0.12 0.18 -0.05 0.00 -0.96 0.00 0.00 56.93 55.98 1xea s PHE 91 Cb -0.15 -1.76 0.02 0.00 -0.34 0.00 0.00 43.02 40.79 1xea s PHE 91 CO 0.02 0.49 0.16 0.08 -1.46 0.00 0.00 175.22 174.51 1xea s VAL 92 N -0.98 -0.01 0.49 3.12 1.01 0.15 -0.91 120.40 123.27 1xea s VAL 92 Ca 0.16 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.97 1xea s VAL 92 Cb -0.11 -0.24 -0.07 0.00 0.00 0.00 0.00 36.38 35.96 1xea s VAL 92 CO 0.06 0.02 1.11 -1.81 0.00 0.00 0.00 175.10 174.47 1xea s ASP 93 N 0.33 6.12 0.37 3.32 1.01 -1.14 0.47 116.67 127.16 1xea s ASP 93 Ca -0.02 2.14 -0.26 0.00 0.71 0.00 0.00 52.55 55.11 1xea s ASP 93 Cb -0.03 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 1xea s ASP 93 CO -0.01 -0.94 1.17 -1.59 0.21 0.00 0.00 175.17 174.01 1xea s LYS 94 N -3.01 4.18 0.32 8.23 0.00 -1.23 -3.85 119.74 124.38 1xea s LYS 94 Ca 0.67 1.87 -0.17 0.00 0.00 0.00 0.00 55.97 58.34 1xea s LYS 94 Cb -0.23 -2.79 -0.09 0.00 0.00 0.00 0.00 37.83 34.72 1xea s LYS 94 CO 0.27 -0.22 0.78 -1.25 0.00 0.00 0.00 175.35 174.93 1xea s PRO 95 N -2.13 4.10 0.21 1.78 0.04 -1.26 -4.99 135.00 132.76 1xea s PRO 95 Ca 0.54 0.80 -0.10 0.00 0.04 0.00 0.00 61.00 62.29 1xea s PRO 95 Cb -0.32 -2.48 0.29 0.00 0.04 0.00 0.00 34.50 32.04 1xea s PRO 95 CO 0.40 0.17 1.69 1.25 0.04 0.00 0.00 177.00 180.55 1xea h LEU 96 N 2.42 -0.08 -8.60 -3.56 5.85 -1.89 -3.44 115.31 106.01 1xea h LEU 96 Ca -0.48 0.12 -0.27 0.00 0.84 0.00 0.00 57.88 58.09 1xea h LEU 96 Cb 1.18 0.19 -0.13 0.00 0.37 0.00 0.00 40.66 42.27 1xea h LEU 96 CO 0.65 -0.03 -0.46 0.00 -0.34 0.00 0.00 178.44 178.26 1xea s ALA 97 N -6.12 1.06 -0.85 1.25 0.00 -1.26 -4.50 121.76 111.34 1xea s ALA 97 Ca -0.13 -1.64 0.27 0.00 0.00 0.00 0.00 51.96 50.46 1xea s ALA 97 Cb 0.18 1.33 0.90 0.00 0.00 0.00 0.00 23.12 25.54 1xea s ALA 97 CO 0.74 -0.67 1.76 0.00 0.00 0.00 0.00 175.76 177.58 1xea n ALA 98 N -0.40 2.48 -2.65 0.00 0.00 -1.26 -4.86 120.51 113.81 1xea n ALA 98 Ca 0.03 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 1xea n ALA 98 Cb 0.64 -1.41 -0.09 0.00 0.00 0.00 0.00 19.45 18.59 1xea n ALA 98 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xea s SER 99 N -3.77 0.17 0.24 0.00 1.04 -1.26 -5.05 113.70 105.08 1xea s SER 99 Ca 0.12 -0.58 -0.05 0.00 0.48 0.00 0.00 55.95 55.92 1xea s SER 99 Cb 0.16 0.26 0.26 0.00 0.10 0.00 0.00 66.02 66.79 1xea s SER 99 CO 0.59 -0.57 1.78 0.00 0.98 0.00 0.00 173.24 176.02 1xea h ALA 100 N 3.39 1.09 -0.85 5.32 0.00 -1.89 -2.83 119.26 123.49 1xea h ALA 100 Ca -0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1xea h ALA 100 Cb 1.18 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1xea h ALA 100 CO 0.53 0.61 0.50 0.37 0.00 0.00 0.00 179.25 181.26 1xea h GLN 101 N 0.96 1.16 0.00 0.00 4.15 -1.97 -0.74 115.11 118.67 1xea h GLN 101 Ca 0.21 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.44 1xea h GLN 101 Cb 0.32 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1xea h GLN 101 CO -0.00 0.83 -0.34 0.93 -1.93 0.00 0.00 178.83 178.32 1xea h GLU 102 N 1.17 0.00 -0.29 1.69 4.39 -1.95 -1.11 114.58 118.48 1xea h GLU 102 Ca 0.30 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.96 1xea h GLU 102 Cb -0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1xea h GLU 102 CO -0.05 0.34 0.01 0.00 -1.16 0.00 0.00 179.01 178.14 1xea h GLU 104 N 0.30 0.09 -0.34 0.00 5.08 -0.79 -1.88 114.58 117.04 1xea h GLU 104 Ca 0.08 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1xea h GLU 104 Cb 0.41 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1xea h GLU 104 CO 0.01 0.14 0.13 -0.91 -1.00 0.00 0.00 179.01 177.39 1xea h ASN 105 N 0.01 0.16 -0.50 1.42 2.35 -1.13 0.34 115.58 118.23 1xea h ASN 105 Ca 0.02 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1xea h ASN 105 Cb 0.08 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.41 1xea h ASN 105 CO -0.00 0.13 0.20 -0.07 -1.65 0.00 0.00 177.43 176.04 1xea h LEU 106 N 0.28 0.24 -1.21 1.61 3.38 -0.88 0.53 115.31 119.26 1xea h LEU 106 Ca 0.15 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 1xea h LEU 106 Cb 0.11 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1xea h LEU 106 CO -0.14 0.17 -0.35 1.88 0.09 0.00 0.00 178.44 180.10 1xea h TYR 107 N 0.40 0.00 -0.17 1.13 -1.99 -0.87 -0.27 116.97 115.20 1xea h TYR 107 Ca 0.23 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.93 1xea h TYR 107 Cb 0.21 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 1xea h TYR 107 CO -0.14 0.35 -0.03 0.93 -0.00 0.00 0.00 178.16 179.27 1xea h GLU 108 N 0.00 0.32 -0.60 4.88 5.08 0.40 -0.94 114.58 123.71 1xea h GLU 108 Ca -0.00 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1xea h GLU 108 Cb 0.73 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1xea h GLU 108 CO 0.04 0.57 0.29 1.25 -1.00 0.00 0.00 179.01 180.16 1xea h LEU 109 N 0.03 0.76 -1.15 1.33 5.85 -0.60 0.11 115.31 121.66 1xea h LEU 109 Ca 0.04 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1xea h LEU 109 Cb 0.45 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1xea h LEU 109 CO 0.01 0.65 -0.04 0.00 -0.34 0.00 0.00 178.44 178.72 1xea h ALA 110 N 1.47 1.30 0.14 1.25 0.00 -0.76 -2.59 119.26 120.07 1xea h ALA 110 Ca 0.21 -0.23 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 1xea h ALA 110 Cb 0.09 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 17.75 1xea h ALA 110 CO -0.03 0.47 -1.27 0.93 0.00 0.00 0.00 179.25 179.36 1xea h GLU 111 N 0.52 0.53 0.00 0.00 5.08 -0.26 0.15 114.58 120.60 1xea h GLU 111 Ca 0.11 -0.76 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 1xea h GLU 111 Cb 0.40 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1xea h GLU 111 CO 0.02 1.34 0.00 1.17 -1.00 0.00 0.00 179.01 180.54 1xea n LYS 112 N -3.73 0.00 0.00 2.33 3.00 0.31 -1.20 118.16 118.87 1xea n LYS 112 Ca -0.13 0.42 0.00 0.00 -0.00 0.00 0.00 58.31 58.60 1xea n LYS 112 Cb 1.00 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.53 1xea n LYS 112 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1xea n HIS 113 N -1.49 0.00 -3.20 5.64 8.25 -1.00 -5.00 115.22 118.42 1xea n HIS 113 Ca 0.01 -0.15 -0.23 0.00 -0.26 0.00 0.00 57.72 57.09 1xea n HIS 113 Cb 0.05 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.17 1xea n HIS 113 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1xea n HIS 114 N -0.15 -1.97 -4.35 4.41 8.25 -0.34 -4.88 115.22 116.19 1xea n HIS 114 Ca 0.00 0.55 -0.31 0.00 -0.26 0.00 0.00 57.72 57.69 1xea n HIS 114 Cb 0.15 -3.99 -0.10 0.00 1.12 0.00 0.00 29.99 27.17 1xea n HIS 114 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1xea s GLN 115 N -5.88 2.41 0.43 -0.41 -1.52 0.46 -4.93 119.66 110.22 1xea s GLN 115 Ca 0.36 -0.84 -0.20 0.00 -1.95 0.00 0.00 55.36 52.74 1xea s GLN 115 Cb -0.17 -2.44 -0.10 0.00 -0.22 0.00 0.00 33.01 30.07 1xea s GLN 115 CO 0.45 0.56 0.93 -1.25 -0.25 0.00 0.00 175.29 175.74 1xea s PRO 116 N -1.79 4.16 -0.37 2.91 0.04 -1.26 -4.50 135.00 134.19 1xea s PRO 116 Ca 0.20 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1xea s PRO 116 Cb -0.11 -2.20 0.12 0.00 0.04 0.00 0.00 34.50 32.35 1xea s PRO 116 CO 0.11 -0.05 0.17 -1.17 0.04 0.00 0.00 177.00 176.10 1xea s LEU 117 N -3.32 2.05 -0.06 -3.56 2.96 -1.26 -1.97 118.68 113.52 1xea s LEU 117 Ca 0.61 -2.09 -0.22 0.00 -0.22 0.00 0.00 54.13 52.20 1xea s LEU 117 Cb -0.09 -0.80 -0.04 0.00 0.50 0.00 0.00 46.19 45.75 1xea s LEU 117 CO 0.17 -0.34 0.64 -0.47 -1.32 0.00 0.00 176.35 175.02 1xea s TYR 118 N 1.07 3.59 -0.21 5.38 5.04 -0.13 -4.99 117.35 127.09 1xea s TYR 118 Ca 0.14 1.17 -0.06 0.00 -2.44 0.00 0.00 57.07 55.89 1xea s TYR 118 Cb -0.21 -2.71 -0.03 0.00 0.35 0.00 0.00 41.96 39.36 1xea s TYR 118 CO -0.11 0.16 0.02 0.08 -1.34 0.00 0.00 175.55 174.35 1xea s VAL 119 N 0.55 4.07 -0.59 3.14 1.01 -1.26 -0.68 120.40 126.65 1xea s VAL 119 Ca 0.34 -0.27 -0.26 0.00 0.00 0.00 0.00 61.98 61.79 1xea s VAL 119 Cb -0.17 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1xea s VAL 119 CO 0.16 0.41 2.04 -0.83 0.00 0.00 0.00 175.10 176.89 1xea s GLY 120 N 1.07 -0.01 -0.59 4.51 0.00 0.18 -4.90 107.32 107.57 1xea s GLY 120 Ca 0.03 -0.49 0.04 0.00 0.00 0.00 0.00 44.72 44.30 1xea s GLY 120 CO 0.02 3.65 0.39 -1.36 0.00 0.00 0.00 173.10 175.81 1xea s PHE 121 N 10.16 2.85 0.38 1.90 2.99 -1.26 -3.49 117.98 131.52 1xea s PHE 121 Ca 0.77 -3.00 0.11 0.00 0.00 0.00 0.00 56.93 54.80 1xea s PHE 121 Cb -0.14 -2.30 0.89 0.00 0.00 0.00 0.00 43.02 41.47 1xea s PHE 121 CO 0.21 -0.66 1.91 -2.95 -0.00 0.00 0.00 175.22 173.73 1xea h ASN 122 N 5.82 0.56 0.00 1.36 -1.07 -1.89 -2.40 115.58 117.96 1xea h ASN 122 Ca 0.11 0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.50 1xea h ASN 122 Cb 0.83 -0.09 0.00 0.00 -2.07 0.00 0.00 38.32 36.99 1xea h ASN 122 CO 0.62 0.30 0.00 0.54 0.07 0.00 0.00 177.43 178.96 1xea n ARG 123 N -4.51 0.33 0.00 4.14 1.74 -1.26 0.28 116.66 117.38 1xea n ARG 123 Ca 0.15 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.29 1xea n ARG 123 Cb 0.43 -1.06 -0.05 0.00 -1.02 0.00 0.00 32.46 30.76 1xea n ARG 123 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1xea n ARG 124 N -0.20 2.72 -1.62 5.56 1.74 -0.90 -4.56 116.66 119.40 1xea n ARG 124 Ca 0.00 -0.16 -0.07 0.00 -0.77 0.00 0.00 57.85 56.85 1xea n ARG 124 Cb 0.03 -1.10 0.09 0.00 -1.02 0.00 0.00 32.46 30.46 1xea n ARG 124 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1xea n HIS 125 N -1.05 1.29 -2.42 -1.55 8.25 0.14 -4.69 115.22 115.20 1xea n HIS 125 Ca 0.03 -1.76 -0.43 0.00 -0.26 0.00 0.00 57.72 55.30 1xea n HIS 125 Cb 0.21 -0.27 -0.02 0.00 1.12 0.00 0.00 29.99 31.03 1xea n HIS 125 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1xea s ILE 126 N -3.47 4.07 0.28 1.59 -1.09 -1.22 -4.17 121.20 117.19 1xea s ILE 126 Ca 0.41 1.16 0.01 0.00 -2.23 0.00 0.00 60.65 60.00 1xea s ILE 126 Cb 0.38 -4.23 0.27 0.00 -1.58 0.00 0.00 42.46 37.31 1xea s ILE 126 CO -0.03 -0.63 1.70 1.55 -1.23 0.00 0.00 174.94 176.29 1xea h PRO 127 N 9.75 0.37 -0.19 2.79 0.13 -1.77 0.19 132.00 143.27 1xea h PRO 127 Ca -0.26 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.66 1xea h PRO 127 Cb 1.10 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 1xea h PRO 127 CO 1.06 0.24 -0.62 1.25 -0.23 0.00 0.00 178.00 179.70 1xea h LEU 128 N 0.38 0.74 -0.12 1.56 5.85 -1.85 -2.68 115.31 119.18 1xea h LEU 128 Ca 0.52 -0.43 -0.22 0.00 0.84 0.00 0.00 57.88 58.59 1xea h LEU 128 Cb 0.94 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.77 1xea h LEU 128 CO -0.52 1.18 -0.78 1.88 -0.34 0.00 0.00 178.44 179.87 1xea h TYR 129 N 0.48 1.01 0.00 1.25 0.05 -1.69 -3.00 116.97 115.07 1xea h TYR 129 Ca -0.01 -0.47 0.00 0.00 0.05 0.00 0.00 58.73 58.31 1xea h TYR 129 Cb 1.21 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.80 1xea h TYR 129 CO 0.06 1.29 0.00 0.09 -1.05 0.00 0.00 178.16 178.55 1xea n ASN 130 N -3.98 0.24 0.06 3.88 5.03 -0.02 -1.01 115.26 119.46 1xea n ASN 130 Ca -0.08 0.55 -0.20 0.00 0.87 0.00 0.00 54.58 55.71 1xea n ASN 130 Cb 0.75 -0.60 -0.14 0.00 -1.02 0.00 0.00 39.78 38.76 1xea n ASN 130 CO 0.00 0.00 0.00 -0.61 -1.83 0.00 0.00 177.26 174.82 1xea h GLN 131 N 0.00 0.37 -0.00 3.52 4.15 -1.33 -3.35 115.11 118.47 1xea h GLN 131 Ca 0.00 -0.57 0.00 0.00 0.77 0.00 0.00 58.65 58.85 1xea h GLN 131 Cb 0.38 0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1xea h GLN 131 CO 0.00 1.26 -0.77 0.72 -1.93 0.00 0.00 178.83 178.10 1xea n HIS 132 N -4.07 0.00 -3.75 3.99 8.25 -1.18 -4.67 115.22 113.78 1xea n HIS 132 Ca -0.14 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.03 1xea n HIS 132 Cb 0.84 -0.06 -0.13 0.00 1.12 0.00 0.00 29.99 31.76 1xea n HIS 132 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xea s LEU 133 N -2.90 3.20 0.29 2.41 1.43 -0.18 -4.96 118.68 117.96 1xea s LEU 133 Ca 0.11 -2.95 0.02 0.00 -1.03 0.00 0.00 54.13 50.28 1xea s LEU 133 Cb 0.17 -1.18 0.60 0.00 0.03 0.00 0.00 46.19 45.81 1xea s LEU 133 CO 0.77 -0.22 1.81 0.28 0.23 0.00 0.00 176.35 179.22 1xea h SER 134 N 6.35 0.85 -0.81 2.29 0.02 -1.83 -1.97 113.55 118.44 1xea h SER 134 Ca 0.03 0.07 0.19 0.00 -0.84 0.00 0.00 61.79 61.24 1xea h SER 134 Cb 0.89 -0.10 -0.12 0.00 0.14 0.00 0.00 62.40 63.21 1xea h SER 134 CO 0.55 0.41 0.27 -0.33 -1.14 0.00 0.00 176.83 176.58 1xea h GLU 135 N 0.89 0.32 -0.39 3.45 3.07 -1.92 0.24 114.58 120.24 1xea h GLU 135 Ca 0.52 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 59.28 1xea h GLU 135 Cb 0.62 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 1xea h GLU 135 CO -0.31 0.21 -0.08 -0.07 -1.40 0.00 0.00 179.01 177.37 1xea h LEU 136 N 0.33 0.65 -0.51 1.33 3.38 -1.59 0.67 115.31 119.57 1xea h LEU 136 Ca 0.48 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 58.11 1xea h LEU 136 Cb 0.87 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1xea h LEU 136 CO -0.52 0.78 -0.69 0.00 0.09 0.00 0.00 178.44 178.09 1xea h ALA 137 N 1.29 0.72 0.00 1.53 0.00 -1.04 -3.03 119.26 118.73 1xea h ALA 137 Ca 0.11 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xea h ALA 137 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xea h ALA 137 CO 0.03 0.78 -0.57 1.96 0.00 0.00 0.00 179.25 181.44 1xea h GLN 138 N 0.18 0.00 -2.58 0.00 1.08 -0.24 -3.48 115.11 110.08 1xea h GLN 138 Ca -0.02 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.89 1xea h GLN 138 Cb 1.24 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.68 1xea h GLN 138 CO 0.11 0.00 -0.40 1.04 -0.95 0.00 0.00 178.83 178.63 1xea n GLN 139 N -2.32 -2.12 -4.71 1.46 6.02 0.23 -5.02 117.38 110.92 1xea n GLN 139 Ca 0.03 0.68 -0.31 0.00 -0.01 0.00 0.00 57.00 57.39 1xea n GLN 139 Cb 0.47 -4.99 -0.09 0.00 1.02 0.00 0.00 30.24 26.64 1xea n GLN 139 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1xea s GLU 140 N -4.99 2.11 0.08 -1.09 2.02 -0.73 -4.81 118.70 111.29 1xea s GLU 140 Ca 0.09 -2.30 0.15 0.00 0.02 0.00 0.00 54.97 52.92 1xea s GLU 140 Cb -0.04 -1.55 -0.14 0.00 0.10 0.00 0.00 34.13 32.51 1xea s GLU 140 CO 0.11 -0.26 0.93 0.00 0.02 0.00 0.00 175.26 176.05 1xea n GLY 142 N 1.40 2.44 0.31 0.00 0.00 -1.26 -1.55 105.19 106.53 1xea n GLY 142 Ca -0.09 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 45.93 1xea n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xea n ALA 143 N 7.65 2.61 -1.68 4.61 0.00 -1.26 -4.94 120.51 127.51 1xea n ALA 143 Ca 0.00 -0.36 -0.45 0.00 0.00 0.00 0.00 53.44 52.63 1xea n ALA 143 Cb 0.00 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 1xea n ALA 143 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xea n LEU 144 N -0.23 3.21 -0.07 0.00 4.77 -0.59 -4.66 117.00 119.43 1xea n LEU 144 Ca 0.20 1.12 -0.04 0.00 -0.03 0.00 0.00 56.01 57.26 1xea n LEU 144 Cb 0.26 -1.44 -0.16 0.00 -2.33 0.00 0.00 43.42 39.75 1xea n LEU 144 CO 0.16 -0.36 -1.01 0.54 -1.33 0.00 0.00 177.39 175.39 1xea n ARG 145 N 2.57 0.68 -3.50 3.23 5.12 0.15 -4.06 116.66 120.84 1xea n ARG 145 Ca 0.13 -0.05 -0.16 0.00 -1.93 0.00 0.00 57.85 55.84 1xea n ARG 145 Cb 0.31 -1.53 -0.05 0.00 -1.16 0.00 0.00 32.46 30.02 1xea n ARG 145 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1xea s SER 146 N -5.25 -0.62 -0.22 0.55 1.04 -1.03 -1.92 113.70 106.24 1xea s SER 146 Ca -0.09 0.54 -0.09 0.00 0.48 0.00 0.00 55.95 56.79 1xea s SER 146 Cb 0.08 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.83 1xea s SER 146 CO 0.85 -0.67 0.50 -0.22 0.98 0.00 0.00 173.24 174.68 1xea s LEU 147 N -1.52 -0.69 -0.09 2.42 2.96 -0.15 -1.46 118.68 120.15 1xea s LEU 147 Ca -0.08 1.16 0.03 0.00 -0.22 0.00 0.00 54.13 55.02 1xea s LEU 147 Cb -0.00 1.68 0.01 0.00 0.50 0.00 0.00 46.19 48.37 1xea s LEU 147 CO 0.04 -0.22 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.08 1xea s ARG 148 N 2.36 2.29 -0.27 1.98 3.52 0.86 -0.73 118.95 128.96 1xea s ARG 148 Ca -0.05 -0.61 0.03 0.00 -0.13 0.00 0.00 55.73 54.97 1xea s ARG 148 Cb -0.11 -1.84 0.07 0.00 -1.56 0.00 0.00 34.95 31.51 1xea s ARG 148 CO -0.15 0.05 -0.08 -0.46 -0.81 0.00 0.00 175.30 173.85 1xea s TRP 149 N 0.65 3.32 -0.20 5.12 -0.11 -0.04 -0.69 118.94 127.00 1xea s TRP 149 Ca -0.14 -2.43 -0.05 0.00 1.22 0.00 0.00 56.10 54.70 1xea s TRP 149 Cb -0.16 -2.09 -0.03 0.00 -1.50 0.00 0.00 33.47 29.69 1xea s TRP 149 CO 0.04 -0.89 0.01 -1.21 -4.62 0.00 0.00 176.95 170.28 1xea s GLU 150 N 1.08 3.65 -0.26 5.86 2.02 0.96 -1.33 118.70 130.68 1xea s GLU 150 Ca -0.05 -0.50 -0.01 0.00 0.02 0.00 0.00 54.97 54.42 1xea s GLU 150 Cb -0.20 -3.10 0.08 0.00 0.10 0.00 0.00 34.13 31.01 1xea s GLU 150 CO -0.06 0.03 0.04 0.21 0.02 0.00 0.00 175.26 175.51 1xea s LYS 151 N 0.95 0.96 0.41 1.61 2.20 -0.43 0.53 119.74 125.97 1xea s LYS 151 Ca 0.02 -0.89 0.07 0.00 -0.36 0.00 0.00 55.97 54.81 1xea s LYS 151 Cb -0.14 -2.24 -0.05 0.00 -1.51 0.00 0.00 37.83 33.89 1xea s LYS 151 CO 0.02 -0.78 0.19 -1.01 -0.36 0.00 0.00 175.35 173.41 1xea s HIS 152 N 1.60 2.61 0.05 4.03 3.76 0.38 -4.00 115.29 123.73 1xea s HIS 152 Ca 0.03 -0.58 -0.05 0.00 -0.15 0.00 0.00 55.06 54.30 1xea s HIS 152 Cb -0.18 -1.98 -0.02 0.00 1.11 0.00 0.00 32.58 31.52 1xea s HIS 152 CO -0.14 0.16 0.08 1.03 -0.85 0.00 0.00 174.74 175.03 1xea s ARG 153 N -3.92 0.66 -0.23 1.40 0.52 -0.76 -2.55 118.95 114.07 1xea s ARG 153 Ca 0.42 -0.93 -0.10 0.00 -0.52 0.00 0.00 55.73 54.59 1xea s ARG 153 Cb 0.03 0.25 -0.05 0.00 0.52 0.00 0.00 34.95 35.71 1xea s ARG 153 CO 0.23 -0.17 0.15 -1.58 0.02 0.00 0.00 175.30 173.95 1xea s HIS 154 N -3.27 3.32 -0.79 -0.53 5.65 -1.26 -0.55 115.29 117.85 1xea s HIS 154 Ca 0.01 0.21 -0.02 0.00 0.25 0.00 0.00 55.06 55.50 1xea s HIS 154 Cb 0.03 -2.24 0.00 0.00 -1.18 0.00 0.00 32.58 29.19 1xea s HIS 154 CO -0.08 0.09 0.62 0.00 -0.65 0.00 0.00 174.74 174.72 1xea n ALA 155 N 4.14 -2.74 -2.74 1.58 0.00 -1.17 -4.92 120.51 114.65 1xea n ALA 155 Ca -0.15 -0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.01 1xea n ALA 155 Cb 0.52 -0.93 0.09 0.00 0.00 0.00 0.00 19.45 19.14 1xea n ALA 155 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xea n LEU 156 N -2.35 -1.68 -4.72 0.00 0.00 0.03 -5.02 117.00 103.25 1xea n LEU 156 Ca -0.26 -3.69 -0.29 0.00 0.00 0.00 0.00 56.01 51.76 1xea n LEU 156 Cb 0.67 0.49 0.14 0.00 0.00 0.00 0.00 43.42 44.72 1xea n LEU 156 CO 0.62 1.98 0.67 -2.16 0.00 0.00 0.00 177.39 178.50 1xea s PRO 157 N -0.18 1.09 0.38 1.96 0.04 -1.25 -4.88 135.00 132.15 1xea s PRO 157 Ca 0.24 0.65 -0.11 0.00 0.04 0.00 0.00 61.00 61.81 1xea s PRO 157 Cb 0.35 -1.80 0.04 0.00 0.04 0.00 0.00 34.50 33.13 1xea s PRO 157 CO -0.06 -2.31 0.69 0.20 0.04 0.00 0.00 177.00 175.55 1xea s GLY 158 N -3.56 0.79 0.44 0.56 0.00 -1.04 -4.93 107.32 99.58 1xea s GLY 158 Ca 0.64 -1.04 -0.23 0.00 0.00 0.00 0.00 44.72 44.08 1xea s GLY 158 CO 0.56 -0.56 1.14 0.51 0.00 0.00 0.00 173.10 174.76 1xea s ASP 159 N -3.14 6.35 0.11 1.64 -4.77 -1.26 -0.25 116.67 115.36 1xea s ASP 159 Ca 0.21 2.25 -0.22 0.00 -3.30 0.00 0.00 52.55 51.49 1xea s ASP 159 Cb -0.04 -2.60 -0.05 0.00 -1.09 0.00 0.00 42.92 39.14 1xea s ASP 159 CO 0.15 -0.79 1.38 0.40 0.70 0.00 0.00 175.17 177.01 1xea h ILE 160 N 2.01 0.00 -0.17 2.11 2.04 -1.94 -1.02 117.51 120.54 1xea h ILE 160 Ca -0.49 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.39 1xea h ILE 160 Cb 1.24 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1xea h ILE 160 CO 0.61 0.00 -0.29 0.03 0.00 0.00 0.00 178.15 178.50 1xea h ARG 161 N -0.01 -0.23 -0.50 2.37 2.47 -1.93 -1.21 114.38 115.34 1xea h ARG 161 Ca 0.11 0.02 0.08 0.00 -1.26 0.00 0.00 59.98 58.93 1xea h ARG 161 Cb 0.29 0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 28.60 1xea h ARG 161 CO -0.64 -0.15 0.10 1.15 0.56 0.00 0.00 179.97 180.99 1xea h THR 162 N -0.24 0.73 -0.19 2.04 2.02 -1.90 -0.96 112.91 114.41 1xea h THR 162 Ca 0.03 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.18 1xea h THR 162 Cb 0.32 0.47 -0.07 0.00 -1.74 0.00 0.00 68.15 67.13 1xea h THR 162 CO -0.29 0.04 -0.29 0.15 0.37 0.00 0.00 175.52 175.51 1xea h PHE 163 N 0.24 -0.78 0.33 3.16 -0.00 -0.80 -0.82 116.94 118.27 1xea h PHE 163 Ca 0.25 0.04 -0.02 0.00 -0.00 0.00 0.00 57.97 58.24 1xea h PHE 163 Cb 0.33 0.37 0.00 0.00 -0.00 0.00 0.00 35.95 36.65 1xea h PHE 163 CO -0.22 -0.36 -0.16 0.28 -0.00 0.00 0.00 178.31 177.85 1xea h VAL 164 N -0.32 0.56 -0.18 1.41 2.07 -0.69 -1.49 116.25 117.61 1xea h VAL 164 Ca 0.12 -0.70 -0.13 0.00 0.82 0.00 0.00 66.70 66.81 1xea h VAL 164 Cb 0.51 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1xea h VAL 164 CO -0.38 0.11 -0.44 -0.26 0.02 0.00 0.00 177.57 176.62 1xea h PHE 165 N -0.89 0.52 0.00 1.57 -1.00 -1.22 -1.67 116.94 114.25 1xea h PHE 165 Ca -0.05 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.58 1xea h PHE 165 Cb 0.53 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.98 1xea h PHE 165 CO 0.03 0.80 -1.35 -0.25 -1.61 0.00 0.00 178.31 175.94 1xea n ASP 166 N -4.00 0.53 0.06 2.17 8.00 -0.31 -4.19 116.55 118.80 1xea n ASP 166 Ca -0.02 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1xea n ASP 166 Cb 0.53 1.03 0.00 0.00 -0.02 0.00 0.00 41.12 42.65 1xea n ASP 166 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xea n ASP 167 N -2.43 0.55 0.28 -2.24 2.03 -0.97 -4.81 116.55 108.96 1xea n ASP 167 Ca -0.01 0.19 0.17 0.00 0.52 0.00 0.00 54.79 55.67 1xea n ASP 167 Cb 0.54 -0.08 0.95 0.00 -0.72 0.00 0.00 41.12 41.81 1xea n ASP 167 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1xea h PHE 168 N 0.00 0.00 0.00 -0.67 3.57 -1.23 -1.74 116.94 116.87 1xea h PHE 168 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1xea h PHE 168 Cb 0.16 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1xea h PHE 168 CO 0.00 0.00 -0.00 0.97 -2.23 0.00 0.00 178.31 177.05 1xea h ILE 169 N 0.00 0.60 0.53 1.41 2.10 -1.55 0.74 117.51 121.35 1xea h ILE 169 Ca 0.03 -0.02 -0.03 0.00 1.08 0.00 0.00 64.86 65.92 1xea h ILE 169 Cb 0.19 1.01 0.01 0.00 -1.09 0.00 0.00 36.82 36.93 1xea h ILE 169 CO -0.00 0.00 -0.26 0.45 -1.08 0.00 0.00 178.15 177.27 1xea h HIS 170 N 0.00 -0.66 -0.47 2.19 3.86 -1.62 0.17 115.15 118.62 1xea h HIS 170 Ca -0.00 -0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.06 1xea h HIS 170 Cb 0.01 0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1xea h HIS 170 CO 0.00 -0.34 -0.23 -1.00 0.86 0.00 0.00 177.93 177.22 1xea h PRO 171 N -1.00 0.98 -0.25 2.45 0.13 -1.65 -1.90 132.00 130.76 1xea h PRO 171 Ca -0.07 -0.43 0.05 0.00 -0.87 0.00 0.00 66.00 64.67 1xea h PRO 171 Cb 0.62 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.68 1xea h PRO 171 CO 0.12 1.10 -0.04 1.25 -0.23 0.00 0.00 178.00 180.20 1xea h LEU 172 N 0.83 -0.18 -0.44 1.56 5.85 -0.88 -1.91 115.31 120.14 1xea h LEU 172 Ca 0.10 0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.72 1xea h LEU 172 Cb 0.81 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 1xea h LEU 172 CO 0.07 -0.06 -0.53 -0.78 -0.34 0.00 0.00 178.44 176.80 1xea h ASP 173 N 0.03 0.78 -0.07 1.25 3.58 -0.62 -2.26 116.42 119.11 1xea h ASP 173 Ca 0.12 -0.41 -0.01 0.00 0.42 0.00 0.00 57.03 57.15 1xea h ASP 173 Cb 0.17 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 1xea h ASP 173 CO -0.23 1.16 0.03 0.28 -2.88 0.00 0.00 179.24 177.59 1xea h SER 174 N 0.55 0.12 0.42 2.28 0.02 -1.14 -1.42 113.55 114.38 1xea h SER 174 Ca 0.02 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1xea h SER 174 Cb 1.09 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1xea h SER 174 CO 0.11 0.13 -0.80 0.55 -1.14 0.00 0.00 176.83 175.68 1xea n VAL 175 N -4.48 0.10 -0.47 2.27 3.14 -0.74 -4.51 118.33 113.64 1xea n VAL 175 Ca -0.01 -0.12 -0.04 0.00 -2.96 0.00 0.00 64.34 61.20 1xea n VAL 175 Cb 0.12 0.32 -0.06 0.00 -1.06 0.00 0.00 33.84 33.16 1xea n VAL 175 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1xea n ASN 176 N -1.74 3.07 0.30 6.55 5.15 -0.54 -4.46 115.26 123.60 1xea n ASN 176 Ca 0.04 -1.98 0.18 0.00 -0.60 0.00 0.00 54.58 52.22 1xea n ASN 176 Cb 0.38 -0.76 0.93 0.00 -0.53 0.00 0.00 39.78 39.80 1xea n ASN 176 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1xea h LEU 177 N 4.69 0.00 0.00 1.20 3.38 -1.79 -3.39 115.31 119.40 1xea h LEU 177 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xea h LEU 177 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1xea h LEU 177 CO 0.22 0.00 0.00 -0.24 0.09 0.00 0.00 178.44 178.51 1xea n SER 178 N -3.13 0.00 -1.65 -0.43 2.88 -1.26 -4.19 113.62 105.84 1xea n SER 178 Ca -0.01 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.48 1xea n SER 178 Cb 0.30 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.85 1xea n SER 178 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xea n ARG 179 N 0.00 1.89 -1.62 -1.46 5.12 -1.26 -4.97 116.66 114.36 1xea n ARG 179 Ca 0.00 -3.34 -0.55 0.00 -1.93 0.00 0.00 57.85 52.04 1xea n ARG 179 Cb 0.00 -1.48 -0.07 0.00 -1.16 0.00 0.00 32.46 29.75 1xea n ARG 179 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1xea n GLN 180 N -0.56 1.01 0.00 5.56 -0.06 -1.26 -4.84 117.38 117.23 1xea n GLN 180 Ca 0.21 0.37 0.00 0.00 -2.00 0.00 0.00 57.00 55.58 1xea n GLN 180 Cb 0.89 -2.01 0.00 0.00 -4.06 0.00 0.00 30.24 25.06 1xea n GLN 180 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1xea n ASN 182 N -0.41 0.40 -1.90 0.00 2.04 -1.26 -3.29 115.26 110.85 1xea n ASN 182 Ca 0.00 -1.47 0.00 0.00 -0.44 0.00 0.00 54.58 52.67 1xea n ASN 182 Cb 0.01 0.29 0.35 0.00 -2.53 0.00 0.00 39.78 37.90 1xea n ASN 182 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1xea n LEU 183 N 0.00 5.84 -4.65 -4.53 4.77 -1.26 -4.89 117.00 112.27 1xea n LEU 183 Ca 0.00 -3.11 -0.43 0.00 -0.03 0.00 0.00 56.01 52.45 1xea n LEU 183 Cb 0.13 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.48 1xea n LEU 183 CO 0.07 0.74 1.21 -1.81 -1.33 0.00 0.00 177.39 176.26 1xea s ASP 184 N -1.00 6.77 -1.41 -1.43 1.11 -1.26 -2.62 116.67 116.83 1xea s ASP 184 Ca 0.54 1.81 0.00 0.00 0.18 0.00 0.00 52.55 55.09 1xea s ASP 184 Cb 0.43 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.88 1xea s ASP 184 CO 0.14 -0.90 0.00 0.47 1.18 0.00 0.00 175.17 176.06 1xea n ASP 185 N 7.07 -4.87 -4.50 0.27 8.00 -1.26 -5.00 116.55 116.26 1xea n ASP 185 Ca 0.16 -0.01 -0.29 0.00 0.71 0.00 0.00 54.79 55.35 1xea n ASP 185 Cb 0.44 -3.98 -0.11 0.00 -0.02 0.00 0.00 41.12 37.46 1xea n ASP 185 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xea s LEU 186 N -4.71 2.76 -0.36 0.64 0.20 -1.08 -4.40 118.68 111.74 1xea s LEU 186 Ca 0.00 -0.54 0.01 0.00 0.69 0.00 0.00 54.13 54.28 1xea s LEU 186 Cb 0.00 -1.59 0.10 0.00 -0.43 0.00 0.00 46.19 44.27 1xea s LEU 186 CO 0.00 0.17 0.09 -2.28 -0.29 0.00 0.00 176.35 174.05 1xea s HIS 187 N -1.20 3.60 -0.28 5.38 5.65 0.05 -5.00 115.29 123.50 1xea s HIS 187 Ca 0.19 -2.60 -0.11 0.00 0.25 0.00 0.00 55.06 52.79 1xea s HIS 187 Cb -0.10 -2.88 -0.05 0.00 -1.18 0.00 0.00 32.58 28.37 1xea s HIS 187 CO 0.11 -0.94 0.20 -1.17 -0.65 0.00 0.00 174.74 172.29 1xea s LEU 188 N 1.05 4.02 0.20 8.88 2.96 -1.26 -2.37 118.68 132.16 1xea s LEU 188 Ca 0.07 0.00 0.09 0.00 -0.22 0.00 0.00 54.13 54.06 1xea s LEU 188 Cb -0.21 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 1xea s LEU 188 CO -0.05 -0.06 -0.17 0.42 -1.32 0.00 0.00 176.35 175.17 1xea s THR 189 N 1.77 1.87 -0.03 3.68 -4.23 0.45 -5.00 115.64 114.15 1xea s THR 189 Ca 0.07 -2.11 -0.30 0.00 -1.18 0.00 0.00 61.69 58.17 1xea s THR 189 Cb -0.16 -1.99 0.11 0.00 1.34 0.00 0.00 72.50 71.80 1xea s THR 189 CO 0.11 -0.45 1.08 -0.72 -0.54 0.00 0.00 174.62 174.09 1xea s TYR 190 N -2.53 -0.18 0.00 3.99 -0.85 -1.26 -1.20 117.35 115.33 1xea s TYR 190 Ca 0.21 0.04 0.00 0.00 -0.52 0.00 0.00 57.07 56.80 1xea s TYR 190 Cb -0.03 0.55 0.00 0.00 0.38 0.00 0.00 41.96 42.86 1xea s TYR 190 CO 0.08 -0.45 0.00 1.58 -1.52 0.00 0.00 175.55 175.24 1xea n HIS 191 N -0.29 0.00 -3.65 -3.49 -0.00 -0.93 -5.00 115.22 101.86 1xea n HIS 191 Ca -0.05 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.10 1xea n HIS 191 Cb 0.61 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.43 1xea n HIS 191 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1xea s SER 193 N 0.39 -1.09 -0.33 0.26 0.01 -0.35 -2.00 113.70 110.60 1xea s SER 193 Ca 0.00 1.55 -0.03 0.00 1.31 0.00 0.00 55.95 58.78 1xea s SER 193 Cb 0.00 2.10 0.00 0.00 0.21 0.00 0.00 66.02 68.34 1xea s SER 193 CO 0.00 -0.22 0.22 -1.84 0.41 0.00 0.00 173.24 171.81 1xea n GLU 194 N 5.22 -0.60 0.00 12.44 0.28 -1.26 -0.72 120.64 136.01 1xea n GLU 194 Ca -0.14 0.13 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1xea n GLU 194 Cb 0.51 -0.67 0.00 0.00 1.43 0.00 0.00 31.44 32.71 1xea n GLU 194 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xea n GLY 195 N -1.01 3.22 3.75 -1.84 0.00 -1.26 -5.04 105.19 103.01 1xea n GLY 195 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1xea n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xea s LEU 196 N 0.00 3.22 -0.18 0.99 1.43 0.10 -4.91 118.68 119.33 1xea s LEU 196 Ca 0.00 -0.88 -0.21 0.00 -1.03 0.00 0.00 54.13 52.01 1xea s LEU 196 Cb 0.00 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1xea s LEU 196 CO 0.00 -0.43 0.64 -0.22 0.23 0.00 0.00 176.35 176.57 1xea s LEU 197 N -3.90 4.16 -0.27 1.79 0.20 0.66 -1.21 118.68 120.11 1xea s LEU 197 Ca 0.40 0.88 -0.04 0.00 0.69 0.00 0.00 54.13 56.06 1xea s LEU 197 Cb -0.00 -2.92 -0.15 0.00 -0.43 0.00 0.00 46.19 42.69 1xea s LEU 197 CO 0.23 -0.26 -0.28 0.00 -0.29 0.00 0.00 176.35 175.75 1xea n ALA 198 N 4.91 1.35 -3.17 5.97 0.00 -0.85 -2.51 120.51 126.21 1xea n ALA 198 Ca -0.01 -1.11 -0.13 0.00 0.00 0.00 0.00 53.44 52.19 1xea n ALA 198 Cb 0.50 -0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 1xea n ALA 198 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1xea s ARG 199 N -2.51 0.33 -0.04 0.00 1.70 -1.21 0.88 118.95 118.10 1xea s ARG 199 Ca -0.36 0.39 0.05 0.00 -0.47 0.00 0.00 55.73 55.34 1xea s ARG 199 Cb 0.11 0.16 -0.01 0.00 -0.57 0.00 0.00 34.95 34.65 1xea s ARG 199 CO 0.56 -0.04 -0.19 -1.17 -1.08 0.00 0.00 175.30 173.38 1xea s LEU 200 N 0.15 1.97 -0.15 -1.89 2.96 -1.26 -2.19 118.68 118.27 1xea s LEU 200 Ca -0.00 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.50 1xea s LEU 200 Cb -0.02 -1.06 0.05 0.00 0.50 0.00 0.00 46.19 45.66 1xea s LEU 200 CO 0.00 0.19 0.04 -1.81 -1.32 0.00 0.00 176.35 173.45 1xea s ASP 201 N -0.09 2.34 -0.14 3.68 1.01 -0.34 -4.43 116.67 118.70 1xea s ASP 201 Ca -0.02 -0.54 0.02 0.00 0.71 0.00 0.00 52.55 52.73 1xea s ASP 201 Cb -0.11 -0.44 0.01 0.00 1.01 0.00 0.00 42.92 43.38 1xea s ASP 201 CO 0.02 -0.29 -0.21 -0.69 0.21 0.00 0.00 175.17 174.22 1xea s VAL 202 N 1.97 2.19 -0.08 -1.27 1.01 -0.58 -0.41 120.40 123.24 1xea s VAL 202 Ca 0.02 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 1xea s VAL 202 Cb -0.15 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.36 1xea s VAL 202 CO -0.07 0.54 0.20 -1.58 0.00 0.00 0.00 175.10 174.19 1xea s GLN 203 N 0.82 0.23 0.21 2.72 0.74 -1.00 -0.16 119.66 123.22 1xea s GLN 203 Ca -0.06 0.31 -0.17 0.00 0.05 0.00 0.00 55.36 55.48 1xea s GLN 203 Cb -0.15 0.08 0.02 0.00 1.10 0.00 0.00 33.01 34.06 1xea s GLN 203 CO -0.02 -0.05 0.53 1.67 -0.55 0.00 0.00 175.29 176.88 1xea s TRP 204 N 0.25 -0.07 -0.17 1.67 -2.14 -0.46 -0.77 118.94 117.24 1xea s TRP 204 Ca -0.01 -0.28 -0.01 0.00 2.66 0.00 0.00 56.10 58.46 1xea s TRP 204 Cb -0.03 0.39 0.04 0.00 -3.10 0.00 0.00 33.47 30.78 1xea s TRP 204 CO -0.01 -0.94 -0.05 -1.14 -2.66 0.00 0.00 176.95 172.15 1xea s GLN 205 N -3.89 1.38 -0.33 3.25 0.74 -1.26 -1.13 119.66 118.41 1xea s GLN 205 Ca 0.11 -0.53 -0.02 0.00 0.05 0.00 0.00 55.36 54.97 1xea s GLN 205 Cb -0.01 -2.03 0.07 0.00 1.10 0.00 0.00 33.01 32.14 1xea s GLN 205 CO -0.01 -0.45 0.06 0.95 -0.55 0.00 0.00 175.29 175.29 1xea s THR 206 N 1.64 3.01 0.00 -0.34 -4.23 -1.03 -4.97 115.64 109.72 1xea s THR 206 Ca 0.00 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 1xea s THR 206 Cb -0.16 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.82 1xea s THR 206 CO -0.08 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1xea n GLY 207 N 4.58 1.06 1.12 3.99 0.00 -1.26 -3.35 105.19 111.33 1xea n GLY 207 Ca -0.09 -0.76 0.07 0.00 0.00 0.00 0.00 46.02 45.24 1xea n GLY 207 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xea n ASP 208 N 6.05 4.12 -4.09 1.61 8.00 -1.26 -4.94 116.55 126.04 1xea n ASP 208 Ca 0.00 -3.07 -0.30 0.00 0.71 0.00 0.00 54.79 52.13 1xea n ASP 208 Cb 0.00 -0.58 -0.17 0.00 -0.02 0.00 0.00 41.12 40.35 1xea n ASP 208 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1xea s THR 209 N -2.87 1.70 -0.40 -3.53 2.01 -1.21 -4.22 115.64 107.11 1xea s THR 209 Ca 0.45 -0.75 -0.16 0.00 0.31 0.00 0.00 61.69 61.53 1xea s THR 209 Cb 0.36 -1.54 0.01 0.00 0.01 0.00 0.00 72.50 71.35 1xea s THR 209 CO 0.10 0.48 0.38 -0.22 -0.69 0.00 0.00 174.62 174.66 1xea s LEU 210 N 1.00 4.85 -0.16 4.42 2.96 -0.81 -2.46 118.68 128.49 1xea s LEU 210 Ca -0.05 -0.65 -0.10 0.00 -0.22 0.00 0.00 54.13 53.11 1xea s LEU 210 Cb -0.15 -2.30 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 1xea s LEU 210 CO -0.03 -0.49 0.17 -0.76 -1.32 0.00 0.00 176.35 173.92 1xea s LEU 211 N 1.97 4.29 -0.04 -0.68 1.43 -0.29 -0.97 118.68 124.39 1xea s LEU 211 Ca 0.10 0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1xea s LEU 211 Cb -0.18 -2.15 0.03 0.00 0.03 0.00 0.00 46.19 43.93 1xea s LEU 211 CO 0.12 0.26 0.06 -2.28 0.23 0.00 0.00 176.35 174.74 1xea s HIS 212 N -0.20 0.01 -0.19 0.29 2.46 0.09 -1.36 115.29 116.39 1xea s HIS 212 Ca 0.12 0.26 -0.02 0.00 0.47 0.00 0.00 55.06 55.90 1xea s HIS 212 Cb -0.12 -0.34 -0.00 0.00 -0.13 0.00 0.00 32.58 31.99 1xea s HIS 212 CO 0.02 -0.16 -0.10 0.00 -2.47 0.00 0.00 174.74 172.03 1xea s ALA 213 N 1.70 2.66 0.40 1.58 0.00 0.77 -0.86 121.76 128.01 1xea s ALA 213 Ca -0.01 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.86 1xea s ALA 213 Cb -0.12 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1xea s ALA 213 CO -0.03 -0.26 0.09 0.45 0.00 0.00 0.00 175.76 176.00 1xea s SER 214 N 1.19 2.91 0.00 0.00 0.15 -0.44 -1.52 113.70 115.99 1xea s SER 214 Ca 0.02 -1.58 0.00 0.00 0.70 0.00 0.00 55.95 55.09 1xea s SER 214 Cb -0.14 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1xea s SER 214 CO -0.04 -0.81 0.00 -3.20 1.20 0.00 0.00 173.24 170.39 1xea n ASN 216 N -1.11 0.00 -0.71 5.45 2.85 -1.26 -1.31 115.26 119.17 1xea n ASN 216 Ca -0.07 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.46 1xea n ASN 216 Cb 0.66 0.00 0.16 0.00 1.24 0.00 0.00 39.78 41.84 1xea n ASN 216 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1xea n ARG 217 N 0.00 1.93 -1.87 1.20 1.74 0.25 -1.83 116.66 118.08 1xea n ARG 217 Ca 0.00 -1.32 -0.14 0.00 -0.77 0.00 0.00 57.85 55.62 1xea n ARG 217 Cb 0.00 -1.33 0.06 0.00 -1.02 0.00 0.00 32.46 30.17 1xea n ARG 217 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1xea n GLN 218 N 0.53 2.85 -1.90 5.56 1.13 -1.18 -0.79 117.38 123.58 1xea n GLN 218 Ca 0.12 -3.84 -0.30 0.00 -1.94 0.00 0.00 57.00 51.05 1xea n GLN 218 Cb 0.34 -1.98 0.16 0.00 0.11 0.00 0.00 30.24 28.87 1xea n GLN 218 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1xea s PHE 219 N -3.43 1.99 -0.70 1.08 5.36 0.28 -4.72 117.98 117.85 1xea s PHE 219 Ca 0.45 0.46 0.26 0.00 -0.96 0.00 0.00 56.93 57.13 1xea s PHE 219 Cb 0.39 -3.92 0.70 0.00 -0.34 0.00 0.00 43.02 39.85 1xea s PHE 219 CO 0.00 -2.41 1.68 0.78 -1.46 0.00 0.00 175.22 173.81 1xea h GLY 220 N -1.49 0.00 -3.60 13.12 0.00 -1.91 -3.33 103.07 105.86 1xea h GLY 220 Ca -0.45 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1xea h GLY 220 CO 0.47 0.00 0.22 -1.50 0.00 0.00 0.00 176.54 175.72 1xea s ILE 221 N -3.12 0.00 -0.19 2.60 2.07 -1.26 -4.88 121.20 116.42 1xea s ILE 221 Ca 0.10 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 59.09 1xea s ILE 221 Cb 0.12 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.70 1xea s ILE 221 CO 0.62 0.00 0.83 -0.89 -1.91 0.00 0.00 174.94 173.59 1xea s THR 222 N -2.24 4.87 -0.06 4.00 2.01 -1.26 -4.11 115.64 118.85 1xea s THR 222 Ca -0.06 1.61 -0.30 0.00 0.31 0.00 0.00 61.69 63.25 1xea s THR 222 Cb -0.00 -4.13 0.11 0.00 0.01 0.00 0.00 72.50 68.49 1xea s THR 222 CO 0.00 0.01 0.97 0.28 -0.69 0.00 0.00 174.62 175.19 1xea s THR 223 N 2.29 0.00 -0.06 -0.82 -1.32 -1.06 -4.96 115.64 109.72 1xea s THR 223 Ca 0.37 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.85 1xea s THR 223 Cb -0.16 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.85 1xea s THR 223 CO 0.11 0.00 -0.03 -0.70 -2.21 0.00 0.00 174.62 171.79 1xea s GLU 224 N -2.82 0.76 0.01 7.08 2.12 -1.26 -0.47 118.70 124.12 1xea s GLU 224 Ca 0.06 -0.03 0.06 0.00 0.36 0.00 0.00 54.97 55.42 1xea s GLU 224 Cb -0.01 -0.91 -0.02 0.00 0.26 0.00 0.00 34.13 33.46 1xea s GLU 224 CO -0.07 -0.17 -0.19 -1.01 -0.54 0.00 0.00 175.26 173.28 1xea s HIS 225 N 1.34 1.64 -0.11 5.30 3.76 0.19 -4.10 115.29 123.31 1xea s HIS 225 Ca -0.05 -0.34 0.02 0.00 -0.15 0.00 0.00 55.06 54.55 1xea s HIS 225 Cb -0.13 -1.02 0.01 0.00 1.11 0.00 0.00 32.58 32.55 1xea s HIS 225 CO -0.02 0.03 -0.17 0.08 -0.85 0.00 0.00 174.74 173.80 1xea s VAL 226 N -0.62 1.60 -0.08 -0.90 1.01 -0.46 -0.03 120.40 120.93 1xea s VAL 226 Ca 0.06 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1xea s VAL 226 Cb -0.08 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1xea s VAL 226 CO 0.00 0.46 -0.19 -0.89 0.00 0.00 0.00 175.10 174.49 1xea s THR 227 N 0.86 1.64 0.01 3.92 2.01 0.14 -0.56 115.64 123.66 1xea s THR 227 Ca -0.09 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1xea s THR 227 Cb -0.15 -1.44 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 1xea s THR 227 CO 0.00 0.47 -0.04 0.00 -0.69 0.00 0.00 174.62 174.36 1xea s ALA 228 N 0.43 0.30 0.01 7.40 0.00 -0.63 -0.10 121.76 129.18 1xea s ALA 228 Ca -0.15 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.54 1xea s ALA 228 Cb -0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1xea s ALA 228 CO 0.06 0.03 -0.03 -1.54 0.00 0.00 0.00 175.76 174.28 1xea s SER 229 N -0.43 0.34 0.00 0.00 1.04 -0.54 -0.51 113.70 113.61 1xea s SER 229 Ca -0.02 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1xea s SER 229 Cb -0.03 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.11 1xea s SER 229 CO -0.00 -0.13 0.00 -1.22 0.98 0.00 0.00 173.24 172.87 1xea n TYR 230 N 2.27 0.00 -3.07 5.02 4.02 0.18 -0.67 117.16 124.90 1xea n TYR 230 Ca -0.18 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.29 1xea n TYR 230 Cb 0.57 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.83 1xea n TYR 230 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1xea s ASP 231 N 0.66 6.48 -0.81 7.72 1.01 -1.26 -3.91 116.67 126.56 1xea s ASP 231 Ca 0.00 0.26 0.00 0.00 0.71 0.00 0.00 52.55 53.52 1xea s ASP 231 Cb 0.00 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.58 1xea s ASP 231 CO 0.00 -0.61 0.00 0.59 0.21 0.00 0.00 175.17 175.36 1xea n ASN 232 N 6.12 -4.89 -3.85 0.27 3.02 -1.26 -4.97 115.26 109.70 1xea n ASN 232 Ca 0.00 0.19 -0.12 0.00 -0.03 0.00 0.00 54.58 54.62 1xea n ASN 232 Cb 0.48 -3.06 -0.12 0.00 -0.61 0.00 0.00 39.78 36.47 1xea n ASN 232 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xea s VAL 233 N -1.96 0.03 0.07 2.41 1.01 -1.25 -4.18 120.40 116.53 1xea s VAL 233 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 1xea s VAL 233 Cb 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 36.38 36.19 1xea s VAL 233 CO 0.00 -0.12 0.49 0.00 0.00 0.00 0.00 175.10 175.47 1xea s ALA 234 N -0.36 -1.24 0.07 5.51 0.00 -0.43 0.47 121.76 125.77 1xea s ALA 234 Ca -0.04 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.39 1xea s ALA 234 Cb -0.03 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1xea s ALA 234 CO 0.00 -0.55 -0.10 0.71 0.00 0.00 0.00 175.76 175.83 1xea s TYR 235 N -2.80 0.90 -0.18 0.00 1.51 0.34 -0.37 117.35 116.75 1xea s TYR 235 Ca -0.03 -0.56 -0.04 0.00 -1.01 0.00 0.00 57.07 55.42 1xea s TYR 235 Cb -0.00 -0.52 0.08 0.00 -0.11 0.00 0.00 41.96 41.41 1xea s TYR 235 CO -0.05 -0.04 0.16 -1.17 -1.11 0.00 0.00 175.55 173.34 1xea s LEU 236 N -1.93 0.10 -0.25 -1.29 2.96 -0.55 -1.60 118.68 116.11 1xea s LEU 236 Ca -0.03 -0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 1xea s LEU 236 Cb -0.07 0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.67 1xea s LEU 236 CO 0.00 -0.33 0.14 -0.36 -1.32 0.00 0.00 176.35 174.48 1xea s PHE 237 N 2.24 3.20 -2.04 5.38 0.40 0.28 -1.01 117.98 126.43 1xea s PHE 237 Ca 0.05 -0.02 0.27 0.00 -0.60 0.00 0.00 56.93 56.62 1xea s PHE 237 Cb -0.16 -2.29 0.85 0.00 0.51 0.00 0.00 43.02 41.94 1xea s PHE 237 CO -0.10 -0.14 1.62 -0.40 0.70 0.00 0.00 175.22 176.90 1xea n ASP 238 N 4.71 1.23 -0.88 1.36 5.75 -1.23 -1.35 116.55 126.13 1xea n ASP 238 Ca -0.15 -1.13 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 1xea n ASP 238 Cb 0.52 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1xea n ASP 238 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1xea n SER 239 N -0.32 0.00 -0.34 -1.12 3.41 -1.24 -4.67 113.62 109.33 1xea n SER 239 Ca 0.15 -0.88 0.12 0.00 -0.26 0.00 0.00 58.87 57.99 1xea n SER 239 Cb 0.35 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.53 1xea n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xea n PHE 240 N 0.00 0.00 0.02 7.33 3.01 -1.26 -4.37 117.46 122.19 1xea n PHE 240 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.48 1xea n PHE 240 Cb 0.00 -0.07 -0.04 0.00 -0.01 0.00 0.00 39.48 39.36 1xea n PHE 240 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1xea n THR 241 N -0.40 0.00 -4.32 4.37 -2.24 -1.26 -4.60 114.28 105.83 1xea n THR 241 Ca 0.11 -0.14 -0.17 0.00 -2.27 0.00 0.00 64.05 61.58 1xea n THR 241 Cb 0.40 0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 68.98 1xea n THR 241 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1xea s GLN 242 N -2.23 1.27 0.04 -0.78 -0.21 -1.26 -1.54 119.66 114.96 1xea s GLN 242 Ca -0.01 -1.58 -0.27 0.00 0.02 0.00 0.00 55.36 53.51 1xea s GLN 242 Cb 0.03 -0.86 0.09 0.00 1.00 0.00 0.00 33.01 33.27 1xea s GLN 242 CO 0.19 0.08 1.21 0.20 -2.12 0.00 0.00 175.29 174.85 1xea s GLY 243 N -3.28 -0.09 0.00 3.09 0.00 -0.28 -3.56 107.32 103.20 1xea s GLY 243 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 44.72 44.94 1xea s GLY 243 CO 0.06 4.12 0.00 0.28 0.00 0.00 0.00 173.10 177.55 1xea n LYS 244 N -0.80 1.30 -3.29 2.90 5.02 -0.18 -1.83 118.16 121.28 1xea n LYS 244 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1xea n LYS 244 Cb 0.59 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.56 1xea n LYS 244 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1xea s TRP 246 N -0.98 -0.21 -0.20 2.13 0.51 0.51 -1.49 118.94 119.21 1xea s TRP 246 Ca 0.00 0.38 -0.27 0.00 -2.12 0.00 0.00 56.10 54.08 1xea s TRP 246 Cb 0.00 0.13 0.09 0.00 -0.81 0.00 0.00 33.47 32.88 1xea s TRP 246 CO 0.00 -0.11 0.83 -0.98 -0.51 0.00 0.00 176.95 176.18 1xea s ARG 247 N 1.99 0.78 -1.53 4.98 1.70 -0.88 -1.31 118.95 124.67 1xea s ARG 247 Ca -0.01 0.60 0.00 0.00 -0.47 0.00 0.00 55.73 55.85 1xea s ARG 247 Cb -0.02 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 1xea s ARG 247 CO -0.16 -0.16 0.00 -0.25 -1.08 0.00 0.00 175.30 173.66 1xea n ASP 248 N 1.86 -4.85 -1.77 -2.89 8.00 -1.26 -1.71 116.55 113.93 1xea n ASP 248 Ca -0.14 0.18 -0.20 0.00 0.71 0.00 0.00 54.79 55.34 1xea n ASP 248 Cb 0.56 -3.87 -0.06 0.00 -0.02 0.00 0.00 41.12 37.73 1xea n ASP 248 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xea n ASN 249 N -0.83 -5.47 -4.39 -2.24 4.05 -1.26 -4.98 115.26 100.13 1xea n ASN 249 Ca -0.18 0.31 -0.27 0.00 0.45 0.00 0.00 54.58 54.89 1xea n ASN 249 Cb 0.59 -4.63 -0.12 0.00 1.23 0.00 0.00 39.78 36.85 1xea n ASN 249 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1xea s GLN 250 N -4.13 1.41 -0.08 1.20 -0.21 -0.69 -5.14 119.66 112.02 1xea s GLN 250 Ca 0.00 -1.41 0.05 0.00 0.02 0.00 0.00 55.36 54.02 1xea s GLN 250 Cb 0.00 -1.79 -0.01 0.00 1.00 0.00 0.00 33.01 32.21 1xea s GLN 250 CO 0.00 0.41 -0.24 -2.00 -2.12 0.00 0.00 175.29 171.34 1xea s GLU 251 N -2.34 2.84 0.08 2.91 2.12 -1.26 -2.08 118.70 120.98 1xea s GLU 251 Ca 0.16 -0.88 -0.01 0.00 0.36 0.00 0.00 54.97 54.60 1xea s GLU 251 Cb -0.09 -2.25 -0.04 0.00 0.26 0.00 0.00 34.13 32.01 1xea s GLU 251 CO 0.07 0.27 -0.01 -1.54 -0.54 0.00 0.00 175.26 173.52 1xea s SER 252 N 0.11 0.55 -0.07 -1.70 1.04 -1.26 -5.04 113.70 107.33 1xea s SER 252 Ca -0.12 -1.07 -0.05 0.00 0.48 0.00 0.00 55.95 55.19 1xea s SER 252 Cb -0.16 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 1xea s SER 252 CO 0.07 -0.62 0.15 0.00 0.98 0.00 0.00 173.24 173.81 1xea s ARG 253 N -3.95 3.40 -0.05 4.02 1.70 -1.26 -4.38 118.95 118.44 1xea s ARG 253 Ca 0.13 -0.23 0.06 0.00 -0.47 0.00 0.00 55.73 55.22 1xea s ARG 253 Cb 0.07 -3.12 -0.02 0.00 -0.57 0.00 0.00 34.95 31.31 1xea s ARG 253 CO -0.05 0.73 -0.22 0.14 -1.08 0.00 0.00 175.30 174.82 1xea s VAL 254 N -1.14 2.34 0.14 4.99 -7.23 -0.76 -4.97 120.40 113.77 1xea s VAL 254 Ca 0.20 -0.98 -0.14 0.00 -1.81 0.00 0.00 61.98 59.24 1xea s VAL 254 Cb -0.12 -1.86 0.02 0.00 0.56 0.00 0.00 36.38 34.98 1xea s VAL 254 CO 0.10 0.58 0.39 0.00 -0.31 0.00 0.00 175.10 175.85 1xea s ALA 255 N -0.40 -0.72 0.55 1.32 0.00 -1.26 -1.13 121.76 120.13 1xea s ALA 255 Ca 0.04 -0.28 -0.18 0.00 0.00 0.00 0.00 51.96 51.54 1xea s ALA 255 Cb -0.12 0.73 -0.06 0.00 0.00 0.00 0.00 23.12 23.67 1xea s ALA 255 CO 0.02 -0.67 1.06 -1.17 0.00 0.00 0.00 175.76 175.00 1xea s LEU 256 N -2.85 3.66 0.50 0.00 2.96 -0.59 -4.98 118.68 117.38 1xea s LEU 256 Ca 0.07 1.92 -0.22 0.00 -0.22 0.00 0.00 54.13 55.68 1xea s LEU 256 Cb 0.02 -4.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.09 1xea s LEU 256 CO -0.08 -1.05 1.19 -0.54 -1.32 0.00 0.00 176.35 174.55 1xea s LYS 257 N -3.65 3.52 0.90 1.98 1.02 -1.26 -4.96 119.74 117.30 1xea s LYS 257 Ca 0.66 1.81 -0.11 0.00 0.02 0.00 0.00 55.97 58.36 1xea s LYS 257 Cb -0.17 -2.27 0.12 0.00 -0.52 0.00 0.00 37.83 34.99 1xea s LYS 257 CO 0.29 -0.76 1.07 -3.47 -0.92 0.00 0.00 175.35 171.57 1xea n ASP 258 N -0.82 0.19 0.00 2.83 2.03 -1.26 -2.69 116.55 116.84 1xea n ASP 258 Ca 0.09 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.84 1xea n ASP 258 Cb 0.48 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 1xea n ASP 258 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1xea n TRP 259 N -4.00 0.00 -2.24 -0.67 7.02 -1.26 -4.97 117.44 111.32 1xea n TRP 259 Ca 0.12 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.17 1xea n TRP 259 Cb 0.52 -0.64 -0.02 0.00 -2.42 0.00 0.00 31.31 28.74 1xea n TRP 259 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1xea s THR 260 N -2.63 3.97 0.00 -0.99 2.01 -1.10 -5.17 115.64 111.74 1xea s THR 260 Ca 0.00 1.16 0.00 0.00 0.31 0.00 0.00 61.69 63.16 1xea s THR 260 Cb 0.00 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.74 1xea s THR 260 CO 0.00 -0.13 0.00 -0.81 -0.69 0.00 0.00 174.62 172.99 1xea n PRO 261 N 6.90 3.15 0.00 4.92 -0.04 -1.26 -4.84 135.00 143.82 1xea n PRO 261 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1xea n PRO 261 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 1xea n PRO 261 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xea n LEU 263 N 0.00 0.00 0.00 1.53 4.77 -1.26 -2.54 117.00 119.50 1xea n LEU 263 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1xea n LEU 263 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1xea n LEU 263 CO 0.00 0.00 0.21 0.00 -1.33 0.00 0.00 177.39 176.27 1xea h ALA 264 N 0.00 -0.03 -0.67 -1.18 0.00 -1.94 -1.14 119.26 114.29 1xea h ALA 264 Ca 0.00 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 54.36 1xea h ALA 264 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1xea h ALA 264 CO 0.00 0.23 0.44 0.66 0.00 0.00 0.00 179.25 180.58 1xea h SER 265 N -0.54 0.63 0.00 0.00 4.64 -1.82 0.45 113.55 116.92 1xea h SER 265 Ca -0.08 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1xea h SER 265 Cb 1.34 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1xea h SER 265 CO 0.09 0.42 0.00 0.29 -0.87 0.00 0.00 176.83 176.76 1xea n LYS 266 N -4.47 0.99 -1.04 4.77 5.02 -1.25 -4.31 118.16 117.86 1xea n LYS 266 Ca 0.09 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.37 1xea n LYS 266 Cb 0.19 -1.26 -0.01 0.00 -0.02 0.00 0.00 35.03 33.94 1xea n LYS 266 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xea n GLY 267 N 0.74 0.50 0.23 0.72 0.00 0.16 -4.63 105.19 102.91 1xea n GLY 267 Ca 0.12 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 1xea n GLY 267 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xea h PHE 268 N 0.00 1.00 0.03 1.61 -1.00 -1.35 -3.20 116.94 114.04 1xea h PHE 268 Ca -0.03 -0.37 0.02 0.00 2.81 0.00 0.00 57.97 60.41 1xea h PHE 268 Cb 0.24 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.59 1xea h PHE 268 CO 0.13 1.18 -0.20 -0.44 -1.61 0.00 0.00 178.31 177.37 1xea h ASP 269 N 0.54 -0.58 0.00 2.17 5.19 -1.80 -0.32 116.42 121.62 1xea h ASP 269 Ca 0.01 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1xea h ASP 269 Cb 1.13 0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.87 1xea h ASP 269 CO 0.11 -0.27 0.00 0.00 -3.12 0.00 0.00 179.24 175.96 1xea n ALA 270 N -2.55 1.12 0.00 3.45 0.00 -1.21 -1.93 120.51 119.39 1xea n ALA 270 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1xea n ALA 270 Cb 0.24 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1xea n ALA 270 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xea n VAL 272 N 0.68 0.00 -0.08 0.00 0.31 -0.13 -2.16 118.33 116.95 1xea n VAL 272 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1xea n VAL 272 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 1xea n VAL 272 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1xea h GLN 273 N 0.00 -0.37 -0.12 5.55 5.75 -1.63 0.91 115.11 125.20 1xea h GLN 273 Ca 0.00 0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.56 1xea h GLN 273 Cb 0.00 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 1xea h GLN 273 CO 0.00 -0.25 -0.09 0.22 -2.65 0.00 0.00 178.83 176.06 1xea h ASP 274 N -0.39 -0.29 -0.30 -0.69 -0.00 -1.73 -2.31 116.42 110.72 1xea h ASP 274 Ca 0.11 0.06 0.07 0.00 -0.00 0.00 0.00 57.03 57.27 1xea h ASP 274 Cb 0.60 0.15 -0.08 0.00 -0.00 0.00 0.00 39.33 39.99 1xea h ASP 274 CO -0.50 -0.12 -0.34 -0.25 -0.00 0.00 0.00 179.24 178.02 1xea h TRP 275 N -0.10 -0.95 -0.50 0.28 -0.00 -1.60 -0.75 115.95 112.33 1xea h TRP 275 Ca 0.08 0.05 0.07 0.00 -0.00 0.00 0.00 58.89 59.09 1xea h TRP 275 Cb 0.21 0.46 -0.06 0.00 -0.00 0.00 0.00 29.16 29.77 1xea h TRP 275 CO -0.21 -0.40 0.16 -0.07 -0.00 0.00 0.00 178.44 177.91 1xea h LEU 276 N -0.32 0.13 -1.64 0.65 3.38 -0.65 0.48 115.31 117.34 1xea h LEU 276 Ca 0.14 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1xea h LEU 276 Cb 0.55 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1xea h LEU 276 CO -0.48 0.10 0.21 1.56 0.09 0.00 0.00 178.44 179.93 1xea h GLN 277 N 0.32 0.45 -0.10 1.13 4.20 -0.77 0.45 115.11 120.79 1xea h GLN 277 Ca 0.24 -0.03 -0.21 0.00 0.06 0.00 0.00 58.65 58.71 1xea h GLN 277 Cb 0.28 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 27.97 1xea h GLN 277 CO -0.27 0.31 -0.75 0.28 -0.67 0.00 0.00 178.83 177.73 1xea h VAL 278 N 0.46 1.31 -0.08 -0.54 2.07 0.33 -0.53 116.25 119.28 1xea h VAL 278 Ca 0.12 -2.00 -0.00 0.00 0.82 0.00 0.00 66.70 65.64 1xea h VAL 278 Cb -0.03 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1xea h VAL 278 CO -0.03 0.62 0.04 0.00 0.02 0.00 0.00 177.57 178.22 1xea h ALA 279 N 0.48 0.10 0.27 1.67 0.00 0.12 0.11 119.26 122.01 1xea h ALA 279 Ca -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xea h ALA 279 Cb 1.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1xea h ALA 279 CO 0.15 -0.34 -0.13 0.00 0.00 0.00 0.00 179.25 178.93 1xea h ALA 280 N 0.92 -0.36 0.00 0.00 0.00 -0.19 -2.33 119.26 117.30 1xea h ALA 280 Ca 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xea h ALA 280 Cb 0.11 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1xea h ALA 280 CO -0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 179.25 178.55 1xea h ALA 281 N 0.31 1.11 -1.67 0.00 0.00 -1.03 -3.46 119.26 114.53 1xea h ALA 281 Ca -0.04 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 1xea h ALA 281 Cb 0.31 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xea h ALA 281 CO 0.06 0.03 -0.30 0.41 0.00 0.00 0.00 179.25 179.44 1xea n GLY 282 N -0.81 -0.08 3.63 0.00 0.00 0.37 -5.00 105.19 103.30 1xea n GLY 282 Ca -0.02 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 1xea n GLY 282 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xea s LYS 283 N -4.55 0.64 -0.20 1.61 -2.85 -1.06 -4.53 119.74 108.81 1xea s LYS 283 Ca 0.00 0.75 -0.03 0.00 -1.00 0.00 0.00 55.97 55.69 1xea s LYS 283 Cb 0.00 0.31 -0.01 0.00 -2.06 0.00 0.00 37.83 36.08 1xea s LYS 283 CO 0.00 -0.08 -0.08 -1.17 0.10 0.00 0.00 175.35 174.12 1xea s LEU 284 N 0.26 2.79 0.25 2.77 2.96 -1.26 -4.65 118.68 121.79 1xea s LEU 284 Ca 0.02 -0.40 -0.29 0.00 -0.22 0.00 0.00 54.13 53.24 1xea s LEU 284 Cb -0.05 -1.69 -0.15 0.00 0.50 0.00 0.00 46.19 44.80 1xea s LEU 284 CO -0.03 0.02 0.87 -0.81 -1.32 0.00 0.00 176.35 175.08 1xea n PRO 285 N 4.50 0.88 -0.18 0.98 -0.04 -1.26 -4.77 135.00 135.12 1xea n PRO 285 Ca -0.18 0.31 -0.04 0.00 -0.04 0.00 0.00 63.50 63.54 1xea n PRO 285 Cb 0.51 -1.58 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 1xea n PRO 285 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1xea h THR 286 N 1.75 0.27 -0.42 0.52 2.02 -1.99 -0.93 112.91 114.12 1xea h THR 286 Ca -0.36 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.92 1xea h THR 286 Cb 1.37 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1xea h THR 286 CO 0.60 0.00 0.30 1.12 0.37 0.00 0.00 175.52 177.91 1xea h HIS 287 N -0.13 0.13 -0.11 3.16 2.07 -1.99 0.11 115.15 118.39 1xea h HIS 287 Ca 0.24 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.61 1xea h HIS 287 Cb 0.51 -0.04 -0.01 0.00 2.57 0.00 0.00 27.41 30.44 1xea h HIS 287 CO -0.55 0.06 -0.58 0.82 -3.07 0.00 0.00 177.93 174.61 1xea h ILE 288 N 0.12 1.36 -0.17 6.12 2.04 -1.52 0.17 117.51 125.62 1xea h ILE 288 Ca 0.20 -1.89 -0.14 0.00 1.00 0.00 0.00 64.86 64.02 1xea h ILE 288 Cb 0.63 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 1xea h ILE 288 CO -0.02 0.57 -0.50 0.40 0.00 0.00 0.00 178.15 178.60 1xea h ILE 289 N 0.27 1.32 -0.07 -0.67 2.04 -0.60 -1.11 117.51 118.69 1xea h ILE 289 Ca -0.00 -1.73 -0.20 0.00 1.00 0.00 0.00 64.86 63.93 1xea h ILE 289 Cb 1.10 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 1xea h ILE 289 CO 0.10 0.53 -0.80 -0.33 0.00 0.00 0.00 178.15 177.65 1xea h GLU 290 N 0.37 0.50 0.20 2.37 5.08 -0.82 -2.24 114.58 120.04 1xea h GLU 290 Ca 0.02 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1xea h GLU 290 Cb 1.01 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1xea h GLU 290 CO 0.09 1.07 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.97 1xea h ARG 291 N 0.33 -0.28 0.18 2.33 9.65 -0.47 0.08 114.38 126.19 1xea h ARG 291 Ca -0.05 0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1xea h ARG 291 Cb 1.40 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 30.01 1xea h ARG 291 CO 0.14 -0.19 -0.30 -0.91 2.80 0.00 0.00 179.97 181.52 1xea h ASN 292 N -0.29 -0.85 -0.09 -3.80 2.35 -1.17 -1.25 115.58 110.48 1xea h ASN 292 Ca -0.02 0.09 0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1xea h ASN 292 Cb 0.23 0.31 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 1xea h ASN 292 CO 0.04 -0.40 -0.07 -0.07 -1.65 0.00 0.00 177.43 175.27 1xea h LEU 293 N -0.56 -0.22 -0.47 1.61 3.38 -1.31 -2.26 115.31 115.48 1xea h LEU 293 Ca 0.02 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.13 1xea h LEU 293 Cb 0.56 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.34 1xea h LEU 293 CO -0.14 -0.10 -0.12 0.00 0.09 0.00 0.00 178.44 178.18 1xea h ALA 294 N 1.00 0.31 -0.59 1.53 0.00 -0.74 0.45 119.26 121.22 1xea h ALA 294 Ca 0.06 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1xea h ALA 294 Cb 0.17 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1xea h ALA 294 CO -0.14 -0.45 0.35 0.77 0.00 0.00 0.00 179.25 179.78 1xea h SER 295 N -0.00 0.71 -0.47 0.00 0.02 -1.04 0.19 113.55 112.95 1xea h SER 295 Ca 0.23 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 1xea h SER 295 Cb 0.35 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1xea h SER 295 CO -0.49 0.57 -0.09 0.45 -1.14 0.00 0.00 176.83 176.14 1xea h HIS 296 N 0.79 1.03 -0.45 3.45 -0.00 -0.66 -1.20 115.15 118.12 1xea h HIS 296 Ca 0.21 -0.20 -0.10 0.00 -0.00 0.00 0.00 60.37 60.28 1xea h HIS 296 Cb -0.00 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.13 1xea h HIS 296 CO -0.02 0.97 -0.11 1.96 -0.00 0.00 0.00 177.93 180.73 1xea h GLN 297 N 0.84 0.87 -0.35 2.45 4.20 0.23 -1.88 115.11 121.47 1xea h GLN 297 Ca 0.14 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 1xea h GLN 297 Cb 0.62 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1xea h GLN 297 CO 0.04 0.97 0.08 1.25 -0.67 0.00 0.00 178.83 180.51 1xea h LEU 298 N 0.71 0.47 0.24 1.46 6.46 -0.44 0.04 115.31 124.24 1xea h LEU 298 Ca 0.11 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1xea h LEU 298 Cb 0.66 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1xea h LEU 298 CO 0.05 0.48 -0.11 0.00 -0.62 0.00 0.00 178.44 178.23 1xea h ALA 299 N 1.59 -0.32 -0.20 1.25 0.00 -0.83 -0.61 119.26 120.14 1xea h ALA 299 Ca 0.12 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1xea h ALA 299 Cb 0.20 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1xea h ALA 299 CO -0.00 -0.63 -0.15 0.93 0.00 0.00 0.00 179.25 179.40 1xea h GLU 300 N -0.42 -0.15 -0.65 0.00 4.39 -0.77 0.17 114.58 117.14 1xea h GLU 300 Ca -0.03 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.77 1xea h GLU 300 Cb 0.32 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.93 1xea h GLU 300 CO 0.05 -0.10 0.30 0.00 -1.16 0.00 0.00 179.01 178.10 1xea h ALA 301 N 0.97 0.88 -0.69 3.43 0.00 -0.88 -0.22 119.26 122.75 1xea h ALA 301 Ca 0.12 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1xea h ALA 301 Cb 0.33 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1xea h ALA 301 CO -0.29 -0.11 0.22 0.82 0.00 0.00 0.00 179.25 179.89 1xea h ILE 302 N 0.52 1.25 0.23 0.00 2.04 -0.21 -1.81 117.51 119.54 1xea h ILE 302 Ca 0.32 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1xea h ILE 302 Cb 0.35 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1xea h ILE 302 CO -0.27 0.34 -0.11 0.00 0.00 0.00 0.00 178.15 178.10 1xea h GLN 304 N -0.56 0.84 0.18 0.00 4.20 -1.09 0.21 115.11 118.88 1xea h GLN 304 Ca -0.03 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1xea h GLN 304 Cb 0.41 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1xea h GLN 304 CO 0.05 0.56 -0.09 0.37 -0.67 0.00 0.00 178.83 179.05 1xea h GLN 305 N 0.86 -0.23 -0.44 1.46 -0.00 -1.27 0.21 115.11 115.70 1xea h GLN 305 Ca 0.23 0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.85 1xea h GLN 305 Cb -0.09 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.42 1xea h GLN 305 CO -0.05 0.03 0.07 0.82 0.00 0.00 0.00 178.83 179.70 1xea h ILE 306 N -0.48 1.25 -0.42 2.39 2.04 -1.10 -1.25 117.51 119.93 1xea h ILE 306 Ca -0.02 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1xea h ILE 306 Cb 0.37 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1xea h ILE 306 CO 0.04 0.31 0.28 0.74 0.00 0.00 0.00 178.15 179.52 1xea h THR 307 N 0.59 1.11 -0.46 -0.27 2.02 -0.53 -0.44 112.91 114.94 1xea h THR 307 Ca 0.13 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1xea h THR 307 Cb 0.38 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1xea h THR 307 CO 0.01 0.11 0.17 -0.61 0.37 0.00 0.00 175.52 175.57 1xea h GLN 308 N 0.57 0.69 -0.48 6.66 4.15 -0.41 -0.89 115.11 125.41 1xea h GLN 308 Ca 0.16 -0.13 -0.08 0.00 0.77 0.00 0.00 58.65 59.36 1xea h GLN 308 Cb -0.06 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 1xea h GLN 308 CO -0.03 0.64 -0.04 1.96 -1.93 0.00 0.00 178.83 179.43 1xea h GLN 309 N 0.60 0.83 -0.04 1.69 4.20 -1.02 0.64 115.11 122.01 1xea h GLN 309 Ca 0.15 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1xea h GLN 309 Cb 0.22 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1xea h GLN 309 CO -0.01 0.86 -0.06 0.28 -0.67 0.00 0.00 178.83 179.23 1xea h VAL 310 N 0.77 1.40 -0.43 -0.54 2.07 -0.93 -3.26 116.25 115.33 1xea h VAL 310 Ca 0.14 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1xea h VAL 310 Cb 0.52 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1xea h VAL 310 CO 0.03 0.35 0.22 0.74 0.02 0.00 0.00 177.57 178.92 1xea h THR 311 N -0.38 1.17 0.00 2.57 2.02 -1.13 -3.51 112.91 113.66 1xea h THR 311 Ca 0.00 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1xea h THR 311 Cb 0.60 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1xea h THR 311 CO 0.01 0.19 0.00 1.17 0.37 0.00 0.00 175.52 177.26