#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dby s ARG 4 N 0.00 4.22 0.30 5.31 1.70 -1.26 -5.08 118.95 124.14 3dby s ARG 4 Ca 0.00 0.80 0.11 0.00 -0.47 0.00 0.00 55.73 56.17 3dby s ARG 4 Cb 0.00 -2.95 -0.06 0.00 -0.57 0.00 0.00 34.95 31.37 3dby s ARG 4 CO 0.00 0.45 -0.15 0.54 -1.08 0.00 0.00 175.30 175.06 3dby s ASN 5 N -1.57 3.59 0.18 -2.89 2.20 -1.26 -5.05 114.94 110.13 3dby s ASN 5 Ca 0.40 -1.10 -0.13 0.00 -0.94 0.00 0.00 52.86 51.09 3dby s ASN 5 Cb -0.17 -0.31 0.12 0.00 -2.00 0.00 0.00 41.25 38.89 3dby s ASN 5 CO 0.21 -0.08 1.80 0.22 -2.94 0.00 0.00 177.10 176.31 3dby h TYR 6 N 2.18 0.52 -0.31 1.54 3.20 -1.95 -2.62 116.97 119.53 3dby h TYR 6 Ca -0.41 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.34 3dby h TYR 6 Cb 1.25 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.36 3dby h TYR 6 CO 0.79 0.27 -0.35 1.49 -1.64 0.00 0.00 178.16 178.72 3dby h GLU 7 N 0.55 0.78 -0.34 1.82 4.81 -1.98 0.82 114.58 121.03 3dby h GLU 7 Ca 0.22 -0.43 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 3dby h GLU 7 Cb 0.09 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3dby h GLU 7 CO -0.13 1.05 -0.04 0.93 -0.73 0.00 0.00 179.01 180.09 3dby h GLU 8 N 0.54 0.63 -0.14 1.92 5.08 -1.99 -1.19 114.58 119.42 3dby h GLU 8 Ca 0.04 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3dby h GLU 8 Cb 0.93 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3dby h GLU 8 CO 0.08 0.78 -0.02 1.03 -1.00 0.00 0.00 179.01 179.89 3dby h SER 9 N 0.42 0.26 -0.44 1.42 0.87 -1.49 -0.57 113.55 114.03 3dby h SER 9 Ca 0.09 -0.34 0.07 0.00 -1.23 0.00 0.00 61.79 60.38 3dby h SER 9 Cb 0.52 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.36 3dby h SER 9 CO 0.03 0.54 0.11 0.00 -0.53 0.00 0.00 176.83 176.97 3dby h ALA 10 N 0.73 0.50 -0.32 6.23 0.00 -0.85 0.15 119.26 125.69 3dby h ALA 10 Ca 0.04 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3dby h ALA 10 Cb 0.41 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3dby h ALA 10 CO 0.01 -0.29 -0.30 -0.07 0.00 0.00 0.00 179.25 178.60 3dby h LEU 11 N 0.25 0.70 0.51 0.00 3.38 -1.11 -1.36 115.31 117.69 3dby h LEU 11 Ca 0.21 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3dby h LEU 11 Cb 0.25 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.81 3dby h LEU 11 CO -0.26 0.95 -0.25 0.15 0.09 0.00 0.00 178.44 179.13 3dby h PHE 12 N 0.58 -0.64 -0.19 1.13 3.57 -0.49 -1.42 116.94 119.49 3dby h PHE 12 Ca 0.07 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.57 3dby h PHE 12 Cb 0.80 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 3dby h PHE 12 CO 0.04 -0.33 0.06 0.93 -2.23 0.00 0.00 178.31 176.78 3dby h GLU 13 N -0.87 0.15 -0.45 1.11 4.39 -0.71 0.42 114.58 118.63 3dby h GLU 13 Ca -0.07 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.65 3dby h GLU 13 Cb 0.60 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 3dby h GLU 13 CO 0.12 0.10 0.25 0.45 -1.16 0.00 0.00 179.01 178.76 3dby h HIS 14 N 0.15 0.46 -0.26 4.33 3.86 -1.34 0.16 115.15 122.52 3dby h HIS 14 Ca 0.08 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.16 3dby h HIS 14 Cb 0.05 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 3dby h HIS 14 CO -0.12 0.25 -0.44 1.96 0.86 0.00 0.00 177.93 180.45 3dby h GLN 15 N 0.50 0.64 0.14 2.45 4.20 -0.76 0.12 115.11 122.40 3dby h GLN 15 Ca 0.19 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 3dby h GLN 15 Cb 0.05 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3dby h GLN 15 CO -0.11 0.95 -0.07 0.35 -0.67 0.00 0.00 178.83 179.29 3dby h PHE 16 N 0.52 -0.18 0.13 2.96 3.57 0.04 -3.09 116.94 120.88 3dby h PHE 16 Ca 0.04 -0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.26 3dby h PHE 16 Cb 0.97 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.77 3dby h PHE 16 CO 0.04 -0.06 -1.24 -1.49 -2.23 0.00 0.00 178.31 173.33 3dby h TRP 17 N -0.26 0.49 0.00 0.41 4.06 -0.86 -1.85 115.95 117.95 3dby h TRP 17 Ca -0.02 -0.36 -0.13 0.00 2.06 0.00 0.00 58.89 60.44 3dby h TRP 17 Cb 0.20 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.32 3dby h TRP 17 CO -0.05 1.28 -0.62 -0.07 -3.56 0.00 0.00 178.44 175.42 3dby h LEU 18 N 0.07 0.00 -0.17 -4.49 3.38 -1.10 0.13 115.31 113.14 3dby h LEU 18 Ca -0.13 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 3dby h LEU 18 Cb 1.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.72 3dby h LEU 18 CO 0.20 0.62 -0.47 0.50 0.09 0.00 0.00 178.44 179.39 3dby h LYS 19 N 0.00 0.62 -0.52 1.13 3.64 -1.56 -1.95 116.57 117.94 3dby h LYS 19 Ca -0.01 -0.44 0.06 0.00 -1.27 0.00 0.00 60.65 58.99 3dby h LYS 19 Cb 1.22 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.06 3dby h LYS 19 CO 0.08 1.06 0.24 0.28 -2.27 0.00 0.00 179.45 178.84 3dby h VAL 20 N 0.29 0.91 -0.32 2.00 2.07 -0.96 -1.36 116.25 118.87 3dby h VAL 20 Ca -0.01 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 3dby h VAL 20 Cb 1.08 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3dby h VAL 20 CO 0.10 0.08 -0.16 -0.07 0.02 0.00 0.00 177.57 177.55 3dby h LEU 21 N 0.46 0.55 -0.09 2.57 3.38 -0.82 0.43 115.31 121.80 3dby h LEU 21 Ca 0.24 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dby h LEU 21 Cb 0.19 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dby h LEU 21 CO -0.19 0.73 0.05 0.74 0.09 0.00 0.00 178.44 179.86 3dby h THR 22 N 0.51 1.09 -0.28 0.22 2.02 -1.15 -1.14 112.91 114.19 3dby h THR 22 Ca 0.09 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 67.06 3dby h THR 22 Cb 0.57 1.11 -0.08 0.00 -1.74 0.00 0.00 68.15 68.01 3dby h THR 22 CO 0.04 0.08 -0.31 0.44 0.37 0.00 0.00 175.52 176.14 3dby h ASP 23 N 0.04 -1.01 -0.68 4.18 3.45 -0.92 0.66 116.42 122.13 3dby h ASP 23 Ca 0.03 0.17 0.08 0.00 0.43 0.00 0.00 57.03 57.74 3dby h ASP 23 Cb 0.09 0.46 -0.07 0.00 -0.56 0.00 0.00 39.33 39.25 3dby h ASP 23 CO -0.00 -0.33 0.34 0.45 -1.57 0.00 0.00 179.24 178.12 3dby h HIS 24 N -0.31 0.61 -0.51 4.55 3.86 -0.64 0.48 115.15 123.19 3dby h HIS 24 Ca 0.14 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.30 3dby h HIS 24 Cb 0.53 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 3dby h HIS 24 CO -0.47 0.23 0.02 0.00 0.86 0.00 0.00 177.93 178.58 3dby h ALA 25 N 1.40 0.68 -0.65 2.45 0.00 -0.78 -0.67 119.26 121.69 3dby h ALA 25 Ca 0.33 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3dby h ALA 25 Cb 0.32 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3dby h ALA 25 CO -0.25 0.47 0.13 0.37 0.00 0.00 0.00 179.25 179.98 3dby h GLN 26 N 0.75 1.06 -0.55 0.00 5.75 0.44 -1.28 115.11 121.28 3dby h GLN 26 Ca 0.15 -0.27 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 3dby h GLN 26 Cb 0.49 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 3dby h GLN 26 CO 0.02 0.96 0.19 0.74 -2.65 0.00 0.00 178.83 178.09 3dby h PHE 27 N 0.98 0.88 -0.13 3.99 0.04 0.21 -2.15 116.94 120.76 3dby h PHE 27 Ca 0.20 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 3dby h PHE 27 Cb 0.40 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 3dby h PHE 27 CO 0.03 0.73 0.05 -0.07 -0.60 0.00 0.00 178.31 178.46 3dby h LEU 28 N 0.76 0.17 -0.31 1.54 3.38 -1.01 -0.85 115.31 118.99 3dby h LEU 28 Ca 0.18 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.07 3dby h LEU 28 Cb 0.26 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 3dby h LEU 28 CO -0.01 0.27 -0.35 0.25 0.09 0.00 0.00 178.44 178.69 3dby h LEU 29 N 0.06 -1.15 -1.92 1.67 5.85 -1.23 -0.70 115.31 117.89 3dby h LEU 29 Ca 0.04 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3dby h LEU 29 Cb 0.15 0.51 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 3dby h LEU 29 CO -0.00 -0.35 -0.07 0.44 -0.34 0.00 0.00 178.44 178.11 3dby h ASP 30 N -0.32 0.00 1.06 1.25 3.45 -1.26 -3.12 116.42 117.47 3dby h ASP 30 Ca 0.14 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.60 3dby h ASP 30 Cb 0.56 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.33 3dby h ASP 30 CO -0.49 0.07 -0.94 0.00 -1.57 0.00 0.00 179.24 176.31 3dby h ALA 31 N 1.93 0.53 -2.87 3.45 0.00 0.13 -3.47 119.26 118.96 3dby h ALA 31 Ca -0.00 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3dby h ALA 31 Cb 0.36 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.23 3dby h ALA 31 CO 0.01 0.01 0.62 -0.51 0.00 0.00 0.00 179.25 179.38 3dby s LEU 32 N -5.42 4.23 0.44 0.00 1.43 -0.40 -0.18 118.68 118.79 3dby s LEU 32 Ca -0.00 2.67 -0.24 0.00 -1.03 0.00 0.00 54.13 55.52 3dby s LEU 32 Cb 0.09 -3.88 -0.08 0.00 0.03 0.00 0.00 46.19 42.35 3dby s LEU 32 CO 0.78 -0.84 1.26 0.00 0.23 0.00 0.00 176.35 177.79 3dby s ALA 33 N -1.25 3.11 0.50 4.21 0.00 -0.82 -4.90 121.76 122.61 3dby s ALA 33 Ca 0.56 1.14 0.27 0.00 0.00 0.00 0.00 51.96 53.94 3dby s ALA 33 Cb -0.38 -3.46 1.35 0.00 0.00 0.00 0.00 23.12 20.63 3dby s ALA 33 CO 0.49 -0.84 1.87 -1.35 0.00 0.00 0.00 175.76 175.94 3dby h PRO 34 N 2.33 0.13 0.00 0.00 0.11 -1.94 0.66 132.00 133.28 3dby h PRO 34 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dby h PRO 34 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3dby h PRO 34 CO 0.61 0.09 0.00 1.57 -0.21 0.00 0.00 178.00 180.06 3dby h LYS 35 N 0.13 0.00 -2.31 1.05 2.10 -1.96 -3.33 116.57 112.26 3dby h LYS 35 Ca 0.45 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.71 3dby h LYS 35 Cb 1.56 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.83 3dby h LYS 35 CO -0.07 0.00 1.02 0.39 -2.00 0.00 0.00 179.45 178.79 3dby n GLU 36 N -2.56 2.68 -0.37 0.07 -0.58 0.22 -4.74 120.64 115.36 3dby n GLU 36 Ca -0.00 -1.66 0.04 0.00 -0.42 0.00 0.00 57.16 55.12 3dby n GLU 36 Cb 0.15 -2.27 0.11 0.00 -0.57 0.00 0.00 31.44 28.86 3dby n GLU 36 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3dby n LYS 37 N 2.52 -0.13 0.12 3.49 4.76 -1.25 -1.18 118.16 126.49 3dby n LYS 37 Ca 0.55 1.55 -0.02 0.00 -2.87 0.00 0.00 58.31 57.52 3dby n LYS 37 Cb 0.64 -2.32 0.12 0.00 -1.84 0.00 0.00 35.03 31.64 3dby n LYS 37 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3dby h GLU 38 N 0.00 0.00 0.04 1.97 4.39 -1.95 -1.16 114.58 117.86 3dby h GLU 38 Ca 0.45 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.90 3dby h GLU 38 Cb 0.70 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 3dby h GLU 38 CO -1.02 0.68 -1.25 -0.44 -1.16 0.00 0.00 179.01 175.82 3dby h ASP 39 N 0.00 0.12 -0.10 1.42 3.32 -1.73 -2.34 116.42 117.11 3dby h ASP 39 Ca -0.01 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3dby h ASP 39 Cb 1.24 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 3dby h ASP 39 CO 0.09 1.12 0.06 0.40 -1.72 0.00 0.00 179.24 179.18 3dby h ILE 40 N 0.02 1.06 -0.63 0.35 2.04 -1.04 0.41 117.51 119.73 3dby h ILE 40 Ca -0.11 -0.16 0.13 0.00 1.00 0.00 0.00 64.86 65.71 3dby h ILE 40 Cb 1.88 1.00 -0.10 0.00 -0.74 0.00 0.00 36.82 38.86 3dby h ILE 40 CO 0.14 0.05 0.08 0.50 0.00 0.00 0.00 178.15 178.92 3dby h LYS 41 N 0.09 0.19 -0.20 2.37 3.64 -1.22 0.18 116.57 121.63 3dby h LYS 41 Ca 0.03 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3dby h LYS 41 Cb 0.04 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3dby h LYS 41 CO -0.01 0.13 0.12 0.87 -2.27 0.00 0.00 179.45 178.29 3dby h LYS 42 N 0.20 0.27 -0.71 1.90 1.57 -1.13 -1.22 116.57 117.44 3dby h LYS 42 Ca 0.33 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.14 3dby h LYS 42 Cb 0.53 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 3dby h LYS 42 CO -0.47 0.22 0.43 0.00 -0.57 0.00 0.00 179.45 179.05 3dby h ALA 43 N 1.03 0.95 -0.63 3.86 0.00 -0.55 0.56 119.26 124.48 3dby h ALA 43 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dby h ALA 43 Cb 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3dby h ALA 43 CO -0.01 0.16 0.40 1.15 0.00 0.00 0.00 179.25 180.94 3dby h THR 44 N 0.81 1.17 -0.72 0.00 2.02 -0.86 0.15 112.91 115.47 3dby h THR 44 Ca 0.30 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 3dby h THR 44 Cb 0.11 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 3dby h THR 44 CO -0.15 0.17 0.38 0.22 0.37 0.00 0.00 175.52 176.52 3dby h TYR 45 N 0.86 0.99 -0.08 3.16 3.20 -0.68 -2.50 116.97 121.92 3dby h TYR 45 Ca 0.23 -0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.91 3dby h TYR 45 Cb -0.06 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.88 3dby h TYR 45 CO -0.02 0.70 -0.67 0.74 -1.64 0.00 0.00 178.16 177.26 3dby h PHE 46 N 1.01 0.44 0.12 -3.82 0.04 0.30 -0.83 116.94 114.20 3dby h PHE 46 Ca 0.25 -0.18 0.01 0.00 2.80 0.00 0.00 57.97 60.85 3dby h PHE 46 Cb 0.04 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 3dby h PHE 46 CO 0.01 0.91 -0.21 0.28 -0.60 0.00 0.00 178.31 178.70 3dby h VAL 47 N 0.24 0.54 -0.58 -0.55 2.07 -0.85 -1.18 116.25 115.94 3dby h VAL 47 Ca -0.02 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 3dby h VAL 47 Cb 1.22 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3dby h VAL 47 CO 0.11 0.00 0.13 -0.08 0.02 0.00 0.00 177.57 177.75 3dby h GLU 48 N -0.40 0.94 -0.40 1.57 4.81 -1.41 -0.57 114.58 119.12 3dby h GLU 48 Ca 0.02 -0.23 0.03 0.00 -0.13 0.00 0.00 59.36 59.05 3dby h GLU 48 Cb 0.41 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3dby h GLU 48 CO -0.10 0.88 0.21 1.15 -0.73 0.00 0.00 179.01 180.41 3dby h THR 49 N 0.84 0.99 0.04 0.32 2.02 -1.02 -0.51 112.91 115.60 3dby h THR 49 Ca 0.18 -0.15 -0.23 0.00 0.77 0.00 0.00 66.41 66.98 3dby h THR 49 Cb 0.37 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3dby h THR 49 CO 0.00 0.08 -1.11 -0.26 0.37 0.00 0.00 175.52 174.61 3dby h PHE 50 N 0.43 0.15 -0.20 3.16 0.04 -1.08 -1.14 116.94 118.30 3dby h PHE 50 Ca 0.17 -0.11 0.03 0.00 2.80 0.00 0.00 57.97 60.87 3dby h PHE 50 Cb 0.06 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 3dby h PHE 50 CO -0.09 1.09 -0.00 1.15 -0.60 0.00 0.00 178.31 179.85 3dby h THR 51 N 0.02 0.85 -0.41 -1.55 2.02 -1.03 -1.71 112.91 111.11 3dby h THR 51 Ca -0.06 -0.02 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 3dby h THR 51 Cb 1.84 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 3dby h THR 51 CO 0.15 0.01 -0.15 0.78 0.37 0.00 0.00 175.52 176.68 3dby h ASN 52 N 0.06 0.75 -0.34 4.18 2.35 -0.94 -2.05 115.58 119.58 3dby h ASN 52 Ca 0.09 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 3dby h ASN 52 Cb 0.12 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3dby h ASN 52 CO -0.16 0.91 0.12 -0.07 -1.65 0.00 0.00 177.43 176.58 3dby h LEU 53 N 0.67 0.49 -1.03 1.61 3.38 -1.15 -2.02 115.31 117.27 3dby h LEU 53 Ca 0.11 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3dby h LEU 53 Cb 0.63 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3dby h LEU 53 CO 0.04 0.55 0.20 0.25 0.09 0.00 0.00 178.44 179.57 3dby h LEU 54 N 0.40 0.83 -1.10 1.67 5.85 -1.08 -2.02 115.31 119.86 3dby h LEU 54 Ca 0.11 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3dby h LEU 54 Cb 0.23 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3dby h LEU 54 CO -0.01 0.77 -0.20 0.78 -0.34 0.00 0.00 178.44 179.44 3dby h ASN 55 N 0.88 0.00 1.71 1.25 -0.26 -1.27 -3.03 115.58 114.86 3dby h ASN 55 Ca 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 3dby h ASN 55 Cb 0.23 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.49 3dby h ASN 55 CO -0.01 0.20 -0.01 0.50 -1.06 0.00 0.00 177.43 177.05 3dby h LYS 56 N 0.00 0.00 -0.98 0.81 3.64 -0.63 -3.41 116.57 115.99 3dby h LYS 56 Ca -0.00 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.56 3dby h LYS 56 Cb 0.74 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.47 3dby h LYS 56 CO 0.03 0.00 0.61 -0.24 -2.27 0.00 0.00 179.45 177.58 3dby h VAL 57 N 0.00 0.72 -0.19 2.00 3.04 -1.35 0.84 116.25 121.31 3dby h VAL 57 Ca 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 3dby h VAL 57 Cb 0.86 -0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 3dby h VAL 57 CO 0.00 0.13 0.00 0.54 -1.01 0.00 0.00 177.57 177.23 3dby n ARG 58 N -4.69 1.60 -0.90 4.17 1.74 -1.26 -4.14 116.66 113.17 3dby n ARG 58 Ca 0.22 -0.91 -0.06 0.00 -0.77 0.00 0.00 57.85 56.33 3dby n ARG 58 Cb 0.58 -1.31 0.19 0.00 -1.02 0.00 0.00 32.46 30.90 3dby n ARG 58 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3dby n ASN 59 N 0.17 2.72 -3.63 0.55 3.02 0.29 -5.02 115.26 113.36 3dby n ASN 59 Ca 0.13 -3.80 -0.12 0.00 -0.03 0.00 0.00 54.58 50.76 3dby n ASN 59 Cb 0.25 -0.63 -0.05 0.00 -0.61 0.00 0.00 39.78 38.74 3dby n ASN 59 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3dby s VAL 60 N -3.39 0.06 -0.08 2.41 -7.23 -1.24 -5.06 120.40 105.86 3dby s VAL 60 Ca 0.46 -0.47 -0.30 0.00 -1.81 0.00 0.00 61.98 59.86 3dby s VAL 60 Cb 0.41 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 3dby s VAL 60 CO -0.01 -0.26 1.43 0.20 -0.31 0.00 0.00 175.10 176.15 3dby s ASN 61 N -2.41 6.83 0.26 4.85 0.02 -1.26 -4.94 114.94 118.29 3dby s ASN 61 Ca -0.01 1.98 -0.00 0.00 -1.02 0.00 0.00 52.86 53.81 3dby s ASN 61 Cb 0.00 -2.54 0.33 0.00 0.02 0.00 0.00 41.25 39.07 3dby s ASN 61 CO -0.07 -0.80 1.70 -0.07 0.02 0.00 0.00 177.10 177.88 3dby h LEU 62 N 9.51 0.62 -0.49 0.60 3.38 -1.99 -0.15 115.31 126.79 3dby h LEU 62 Ca -0.34 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.37 3dby h LEU 62 Cb 1.15 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3dby h LEU 62 CO 0.95 0.82 0.05 -0.03 0.09 0.00 0.00 178.44 180.31 3dby h MET 63 N 0.56 0.84 -0.60 1.13 4.05 -1.92 -2.26 114.93 116.72 3dby h MET 63 Ca 0.09 -0.24 -0.00 0.00 -0.28 0.00 0.00 59.70 59.26 3dby h MET 63 Cb 0.64 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 3dby h MET 63 CO 0.05 0.85 0.36 0.00 0.23 0.00 0.00 176.91 178.40 3dby h ALA 64 N 0.95 0.76 -0.59 0.39 0.00 -1.79 -2.78 119.26 116.19 3dby h ALA 64 Ca 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3dby h ALA 64 Cb 0.44 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3dby h ALA 64 CO 0.02 0.23 0.33 0.35 0.00 0.00 0.00 179.25 180.18 3dby h PHE 65 N 0.80 0.79 -1.10 0.00 3.57 -0.81 -2.86 116.94 117.33 3dby h PHE 65 Ca 0.21 -0.01 0.33 0.00 3.53 0.00 0.00 57.97 62.03 3dby h PHE 65 Cb -0.03 -0.26 -0.12 0.00 2.79 0.00 0.00 35.95 38.33 3dby h PHE 65 CO -0.02 0.55 0.68 0.77 -2.23 0.00 0.00 178.31 178.05 3dby h SER 66 N 0.82 0.44 0.25 0.41 0.02 -1.11 0.17 113.55 114.54 3dby h SER 66 Ca 0.21 0.14 -0.25 0.00 -0.84 0.00 0.00 61.79 61.04 3dby h SER 66 Cb 0.01 0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.64 3dby h SER 66 CO -0.04 -0.05 -1.05 0.11 -1.14 0.00 0.00 176.83 174.66 3dby h LYS 67 N 0.31 0.50 -0.28 3.45 6.56 -1.64 0.45 116.57 125.93 3dby h LYS 67 Ca 0.70 -0.59 -0.09 0.00 -1.06 0.00 0.00 60.65 59.62 3dby h LYS 67 Cb 1.81 0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 33.64 3dby h LYS 67 CO -0.44 1.22 -0.16 1.49 -2.06 0.00 0.00 179.45 179.50 3dby h GLU 68 N 0.26 0.60 -0.54 3.15 4.81 -1.20 -1.62 114.58 120.04 3dby h GLU 68 Ca -0.12 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 58.87 3dby h GLU 68 Cb 1.70 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 31.03 3dby h GLU 68 CO 0.19 0.85 0.32 0.00 -0.73 0.00 0.00 179.01 179.64 3dby h ALA 69 N 0.74 0.70 -0.52 2.92 0.00 -0.69 -2.41 119.26 120.00 3dby h ALA 69 Ca 0.06 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3dby h ALA 69 Cb 0.68 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3dby h ALA 69 CO 0.05 0.02 -0.04 1.49 0.00 0.00 0.00 179.25 180.77 3dby h GLU 70 N 0.62 0.94 -0.96 0.00 4.81 -0.85 0.88 114.58 120.03 3dby h GLU 70 Ca 0.22 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3dby h GLU 70 Cb 0.05 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 3dby h GLU 70 CO -0.11 0.98 0.63 0.37 -0.73 0.00 0.00 179.01 180.15 3dby h GLN 71 N 0.80 1.24 -0.29 1.92 5.75 -1.24 0.15 115.11 123.44 3dby h GLN 71 Ca 0.14 -0.07 -0.15 0.00 -0.15 0.00 0.00 58.65 58.42 3dby h GLN 71 Cb 0.58 -0.28 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 3dby h GLN 71 CO 0.03 0.82 -0.42 0.00 -2.65 0.00 0.00 178.83 176.61 3dby h ALA 72 N 1.37 0.71 -0.74 3.38 0.00 -1.10 -2.45 119.26 120.42 3dby h ALA 72 Ca 0.36 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3dby h ALA 72 Cb -0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3dby h ALA 72 CO -0.09 0.67 0.24 0.00 0.00 0.00 0.00 179.25 180.07 3dby h ALA 73 N 0.94 0.97 -0.24 0.00 0.00 -0.33 -1.91 119.26 118.70 3dby h ALA 73 Ca 0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3dby h ALA 73 Cb 0.97 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3dby h ALA 73 CO 0.09 0.65 -0.12 0.87 0.00 0.00 0.00 179.25 180.74 3dby h LYS 74 N 1.10 0.39 -0.06 0.00 1.57 -0.60 -2.08 116.57 116.90 3dby h LYS 74 Ca 0.24 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3dby h LYS 74 Cb 0.29 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 3dby h LYS 74 CO -0.01 0.52 -0.03 0.93 -0.57 0.00 0.00 179.45 180.29 3dby h GLU 75 N 0.37 0.12 -0.25 3.15 5.08 -1.15 -2.48 114.58 119.41 3dby h GLU 75 Ca 0.07 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3dby h GLU 75 Cb 0.44 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3dby h GLU 75 CO 0.02 0.50 -0.07 0.97 -1.00 0.00 0.00 179.01 179.44 3dby h ILE 76 N -0.27 1.19 -0.30 3.13 2.10 -1.24 -0.45 117.51 121.68 3dby h ILE 76 Ca 0.01 -0.82 0.04 0.00 1.08 0.00 0.00 64.86 65.17 3dby h ILE 76 Cb 0.47 1.08 -0.03 0.00 -1.09 0.00 0.00 36.82 37.25 3dby h ILE 76 CO 0.01 0.27 0.10 -0.09 -1.08 0.00 0.00 178.15 177.35 3dby h ARG 77 N 0.38 0.22 -0.85 2.19 2.43 -1.33 -0.80 114.38 116.62 3dby h ARG 77 Ca 0.08 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3dby h ARG 77 Cb 0.37 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 3dby h ARG 77 CO 0.02 0.14 0.45 0.00 -1.51 0.00 0.00 179.97 179.07 3dby h ALA 78 N 1.20 1.19 0.07 2.80 0.00 -0.95 -0.21 119.26 123.35 3dby h ALA 78 Ca 0.14 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3dby h ALA 78 Cb 0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3dby h ALA 78 CO -0.15 0.64 -0.15 0.35 0.00 0.00 0.00 179.25 179.94 3dby h PHE 79 N 1.20 -0.39 -0.33 0.00 3.57 -0.36 0.86 116.94 121.49 3dby h PHE 79 Ca 0.30 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.83 3dby h PHE 79 Cb 0.06 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3dby h PHE 79 CO 0.01 -0.22 0.16 0.87 -2.23 0.00 0.00 178.31 176.90 3dby h LYS 80 N -0.29 0.33 -0.52 1.11 1.57 -0.93 -0.82 116.57 117.02 3dby h LYS 80 Ca 0.03 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3dby h LYS 80 Cb 0.31 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3dby h LYS 80 CO -0.09 0.22 0.14 -0.07 -0.57 0.00 0.00 179.45 179.07 3dby h LEU 81 N 0.34 0.73 -0.82 2.94 3.38 -0.92 0.29 115.31 121.24 3dby h LEU 81 Ca 0.14 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3dby h LEU 81 Cb 0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3dby h LEU 81 CO -0.10 0.71 0.25 -1.13 0.09 0.00 0.00 178.44 178.26 3dby h ASN 82 N 0.76 1.04 -0.66 -0.43 -1.24 -0.43 0.41 115.58 115.03 3dby h ASN 82 Ca 0.17 -0.18 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 3dby h ASN 82 Cb 0.26 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 3dby h ASN 82 CO -0.00 0.96 0.22 0.40 -1.29 0.00 0.00 177.43 177.71 3dby h ILE 83 N 1.08 1.25 -0.42 2.57 2.04 -0.51 -0.85 117.51 122.68 3dby h ILE 83 Ca 0.24 -0.85 -0.09 0.00 1.00 0.00 0.00 64.86 65.16 3dby h ILE 83 Cb 0.27 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3dby h ILE 83 CO -0.01 0.33 -0.09 0.40 0.00 0.00 0.00 178.15 178.78 3dby h ILE 84 N 0.96 1.27 -0.08 -0.67 2.04 -0.58 -1.08 117.51 119.37 3dby h ILE 84 Ca 0.21 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.92 3dby h ILE 84 Cb 0.28 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 3dby h ILE 84 CO -0.01 0.40 -0.11 -0.61 0.00 0.00 0.00 178.15 177.82 3dby h GLN 85 N 0.62 -0.14 -0.93 2.37 4.15 -0.80 -0.71 115.11 119.67 3dby h GLN 85 Ca 0.11 0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.74 3dby h GLN 85 Cb 0.62 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.26 3dby h GLN 85 CO 0.04 -0.10 0.60 0.87 -1.93 0.00 0.00 178.83 178.32 3dby h LYS 86 N -0.15 0.46 -0.31 1.69 1.57 -0.85 -2.09 116.57 116.89 3dby h LYS 86 Ca 0.07 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 3dby h LYS 86 Cb 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3dby h LYS 86 CO -0.16 0.31 -0.16 1.96 -0.57 0.00 0.00 179.45 180.82 3dby h GLN 87 N 0.48 0.65 0.00 3.15 4.20 -0.04 0.27 115.11 123.82 3dby h GLN 87 Ca 0.49 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3dby h GLN 87 Cb 1.13 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.89 3dby h GLN 87 CO -0.21 0.88 0.00 1.28 -0.67 0.00 0.00 178.83 180.10 3dby n LEU 88 N -4.37 0.51 -0.09 1.46 4.77 -0.39 -2.43 117.00 116.45 3dby n LEU 88 Ca -0.03 0.65 0.01 0.00 -0.03 0.00 0.00 56.01 56.61 3dby n LEU 88 Cb 0.39 -0.62 0.02 0.00 -2.33 0.00 0.00 43.42 40.88 3dby n LEU 88 CO 0.42 -0.60 0.51 -0.62 -1.33 0.00 0.00 177.39 175.78 3dby n GLU 89 N -2.09 2.85 -2.41 3.23 1.02 -0.96 -5.00 120.64 117.28 3dby n GLU 89 Ca 0.01 -1.55 -0.12 0.00 -0.02 0.00 0.00 57.16 55.49 3dby n GLU 89 Cb 0.16 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 3dby n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dby n GLY 90 N -0.34 -0.07 0.48 0.62 0.00 -0.52 -4.92 105.19 100.44 3dby n GLY 90 Ca 0.02 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.74 3dby n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dby n LYS 91 N -2.32 2.54 -3.82 1.61 5.02 0.82 -4.98 118.16 117.04 3dby n LYS 91 Ca -0.11 -1.81 -0.12 0.00 -2.02 0.00 0.00 58.31 54.25 3dby n LYS 91 Cb 0.59 -1.20 -0.10 0.00 -0.02 0.00 0.00 35.03 34.30 3dby n LYS 91 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3dby s ILE 92 N -0.96 0.06 -0.28 -0.18 2.07 -1.24 -4.96 121.20 115.71 3dby s ILE 92 Ca 0.17 -0.51 -0.06 0.00 -1.41 0.00 0.00 60.65 58.84 3dby s ILE 92 Cb 0.09 -0.48 0.01 0.00 0.13 0.00 0.00 42.46 42.21 3dby s ILE 92 CO 0.12 -0.28 0.05 -0.89 -1.91 0.00 0.00 174.94 172.04 3dby s THR 93 N -1.13 3.81 -0.08 4.00 2.01 -1.26 -4.85 115.64 118.14 3dby s THR 93 Ca -0.12 -0.70 -0.15 0.00 0.31 0.00 0.00 61.69 61.03 3dby s THR 93 Cb -0.06 -2.94 0.03 0.00 0.01 0.00 0.00 72.50 69.55 3dby s THR 93 CO 0.02 0.13 0.37 -0.51 -0.69 0.00 0.00 174.62 173.94 3dby s ILE 94 N 1.48 0.03 -0.40 1.82 2.07 -1.26 -1.94 121.20 123.00 3dby s ILE 94 Ca 0.03 -0.22 0.02 0.00 -1.41 0.00 0.00 60.65 59.07 3dby s ILE 94 Cb -0.17 -0.61 0.51 0.00 0.13 0.00 0.00 42.46 42.32 3dby s ILE 94 CO 0.01 -0.12 1.79 1.41 -1.91 0.00 0.00 174.94 176.13 3dby n HIS 95 N 1.99 2.52 -4.36 3.50 8.25 0.75 -4.80 115.22 123.06 3dby n HIS 95 Ca -0.17 -1.78 -0.26 0.00 -0.26 0.00 0.00 57.72 55.25 3dby n HIS 95 Cb 0.57 -0.90 -0.12 0.00 1.12 0.00 0.00 29.99 30.66 3dby n HIS 95 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3dby s PHE 96 N -2.75 2.09 0.51 4.41 2.99 -1.26 -5.04 117.98 118.93 3dby s PHE 96 Ca 0.47 -0.40 -0.10 0.00 0.00 0.00 0.00 56.93 56.90 3dby s PHE 96 Cb 0.39 -1.09 -0.05 0.00 0.00 0.00 0.00 43.02 42.28 3dby s PHE 96 CO 0.07 0.35 0.89 0.95 -0.00 0.00 0.00 175.22 177.49 3dby s THR 97 N -1.46 4.75 0.31 0.64 -4.23 -1.26 -4.93 115.64 109.46 3dby s THR 97 Ca 0.14 0.68 0.03 0.00 -1.18 0.00 0.00 61.69 61.37 3dby s THR 97 Cb -0.09 -3.81 0.29 0.00 1.34 0.00 0.00 72.50 70.24 3dby s THR 97 CO 0.07 -0.84 1.87 -0.65 -0.54 0.00 0.00 174.62 174.53 3dby h PRO 98 N 0.41 0.89 -0.80 3.99 0.11 -1.98 -2.02 132.00 132.62 3dby h PRO 98 Ca -0.46 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.64 3dby h PRO 98 Cb 1.19 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 3dby h PRO 98 CO 0.62 0.59 0.50 1.15 -0.21 0.00 0.00 178.00 180.65 3dby h THR 99 N 0.92 1.09 -0.55 -1.15 2.02 -1.98 0.17 112.91 113.44 3dby h THR 99 Ca 0.44 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 67.31 3dby h THR 99 Cb 0.44 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 3dby h THR 99 CO -0.20 0.17 0.34 0.15 0.37 0.00 0.00 175.52 176.35 3dby h PHE 100 N 0.96 0.64 -0.19 3.16 3.57 -1.75 0.03 116.94 123.36 3dby h PHE 100 Ca 0.33 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.70 3dby h PHE 100 Cb 0.06 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3dby h PHE 100 CO -0.03 0.38 -0.49 0.82 -2.23 0.00 0.00 178.31 176.76 3dby h ILE 101 N 0.69 1.32 -0.69 1.41 2.04 -1.25 -2.11 117.51 118.92 3dby h ILE 101 Ca 0.21 -1.71 0.05 0.00 1.00 0.00 0.00 64.86 64.42 3dby h ILE 101 Cb -0.02 1.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 3dby h ILE 101 CO -0.08 0.53 0.40 -1.13 0.00 0.00 0.00 178.15 177.87 3dby h ASN 102 N 0.40 0.61 -0.70 1.72 -1.24 0.02 -1.15 115.58 115.24 3dby h ASN 102 Ca 0.02 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 3dby h ASN 102 Cb 1.00 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.91 3dby h ASN 102 CO 0.09 0.40 0.40 0.45 -1.29 0.00 0.00 177.43 177.48 3dby h HIS 103 N 0.75 0.95 -0.85 0.67 3.86 -0.83 0.39 115.15 120.09 3dby h HIS 103 Ca 0.30 -0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.66 3dby h HIS 103 Cb 0.15 -0.31 -0.06 0.00 1.06 0.00 0.00 27.41 28.25 3dby h HIS 103 CO -0.07 0.66 0.56 0.52 0.86 0.00 0.00 177.93 180.46 3dby h MET 104 N 0.96 0.52 0.01 2.45 2.86 -0.60 -1.15 114.93 119.98 3dby h MET 104 Ca 0.25 -0.03 -0.26 0.00 -2.06 0.00 0.00 59.70 57.60 3dby h MET 104 Cb 0.01 -0.12 0.02 0.00 0.06 0.00 0.00 31.60 31.57 3dby h MET 104 CO -0.04 0.34 -1.01 0.28 1.06 0.00 0.00 176.91 177.54 3dby h VAL 105 N 0.53 1.30 -0.70 -2.22 2.07 -0.13 -1.41 116.25 115.70 3dby h VAL 105 Ca 0.43 -2.25 0.14 0.00 0.82 0.00 0.00 66.70 65.84 3dby h VAL 105 Cb 0.87 2.45 -0.10 0.00 -1.52 0.00 0.00 31.29 32.99 3dby h VAL 105 CO -0.17 0.69 0.20 0.78 0.02 0.00 0.00 177.57 179.08 3dby h ASN 106 N 0.31 0.09 -0.26 0.57 2.35 -0.32 -2.12 115.58 116.19 3dby h ASN 106 Ca -0.13 0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 3dby h ASN 106 Cb 1.67 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 40.18 3dby h ASN 106 CO 0.20 0.02 0.04 -0.33 -1.65 0.00 0.00 177.43 175.71 3dby h GLU 107 N 0.32 0.44 0.00 0.81 5.08 -0.93 -2.21 114.58 118.08 3dby h GLU 107 Ca 0.38 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.56 3dby h GLU 107 Cb 0.61 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3dby h GLU 107 CO -0.45 0.55 -0.34 -0.24 -1.00 0.00 0.00 179.01 177.53 3dby h VAL 108 N 0.25 1.10 0.00 3.13 3.04 -1.14 -2.53 116.25 120.11 3dby h VAL 108 Ca 0.08 -1.23 -0.03 0.00 -1.01 0.00 0.00 66.70 64.50 3dby h VAL 108 Cb 0.33 1.69 -0.00 0.00 -2.01 0.00 0.00 31.29 31.29 3dby h VAL 108 CO 0.00 0.34 -0.16 -0.33 -1.01 0.00 0.00 177.57 176.41 3dby h GLU 109 N 0.00 0.00 -0.37 4.17 5.08 -1.17 -0.72 114.58 121.56 3dby h GLU 109 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 3dby h GLU 109 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3dby h GLU 109 CO 0.04 0.16 -0.39 0.93 -1.00 0.00 0.00 179.01 178.76 3dby h GLU 110 N 0.00 0.92 0.06 2.33 4.39 -0.98 -1.52 114.58 119.78 3dby h GLU 110 Ca -0.00 -0.49 -0.00 0.00 0.34 0.00 0.00 59.36 59.20 3dby h GLU 110 Cb 0.52 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3dby h GLU 110 CO 0.02 1.15 -0.03 -0.92 -1.16 0.00 0.00 179.01 178.07 3dby h TYR 111 N 0.74 -0.08 -0.92 4.33 3.20 -1.18 -1.88 116.97 121.18 3dby h TYR 111 Ca 0.06 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.03 3dby h TYR 111 Cb 0.99 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 39.20 3dby h TYR 111 CO 0.06 0.11 0.55 0.82 -1.64 0.00 0.00 178.16 178.06 3dby h ILE 112 N -0.26 0.91 -0.50 1.81 2.04 -1.21 0.23 117.51 120.53 3dby h ILE 112 Ca -0.01 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 3dby h ILE 112 Cb 0.22 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 3dby h ILE 112 CO 0.01 0.16 0.09 0.00 0.00 0.00 0.00 178.15 178.42 3dby h ALA 113 N 1.50 1.22 -0.27 1.87 0.00 -1.07 -1.65 119.26 120.86 3dby h ALA 113 Ca 0.45 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 3dby h ALA 113 Cb 0.43 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3dby h ALA 113 CO -0.26 0.53 -0.52 0.28 0.00 0.00 0.00 179.25 179.28 3dby h VAL 114 N 0.75 1.29 0.00 0.00 2.07 -0.48 -3.11 116.25 116.77 3dby h VAL 114 Ca 0.16 -1.72 -0.03 0.00 0.82 0.00 0.00 66.70 65.93 3dby h VAL 114 Cb 0.32 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3dby h VAL 114 CO 0.00 0.55 -0.16 -0.07 0.02 0.00 0.00 177.57 177.92 3dby h LEU 115 N 0.60 0.00 -1.35 2.57 3.38 0.04 -2.24 115.31 118.31 3dby h LEU 115 Ca 0.02 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3dby h LEU 115 Cb 1.10 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 3dby h LEU 115 CO 0.11 0.16 0.50 -0.33 0.09 0.00 0.00 178.44 178.97 3dby h GLU 116 N 0.00 0.75 0.00 1.13 3.07 -1.25 0.19 114.58 118.47 3dby h GLU 116 Ca -0.00 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 3dby h GLU 116 Cb 0.29 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3dby h GLU 116 CO 0.02 0.49 -0.06 0.74 -1.40 0.00 0.00 179.01 178.81 3dby h PHE 117 N 0.77 0.00 -0.91 4.33 0.04 -1.56 -3.35 116.94 116.26 3dby h PHE 117 Ca 0.34 0.00 0.21 0.00 2.80 0.00 0.00 57.97 61.32 3dby h PHE 117 Cb 0.32 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 38.36 3dby h PHE 117 CO -0.00 0.73 0.45 -0.07 -0.60 0.00 0.00 178.31 178.82 3dby h LEU 118 N -1.00 0.46 -2.30 1.54 3.38 -1.19 -0.73 115.31 115.46 3dby h LEU 118 Ca -0.01 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3dby h LEU 118 Cb 0.73 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3dby h LEU 118 CO -0.01 0.07 0.07 0.11 0.09 0.00 0.00 178.44 178.77 3dby h LYS 119 N 0.50 0.00 -0.38 1.13 1.57 -0.75 -1.44 116.57 117.19 3dby h LYS 119 Ca 0.56 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.21 3dby h LYS 119 Cb 1.01 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.24 3dby h LYS 119 CO -0.48 0.00 0.03 0.36 -0.57 0.00 0.00 179.45 178.79 3dby n LYS 120 N -3.98 2.51 -1.01 3.15 2.85 -0.37 -4.94 118.16 116.36 3dby n LYS 120 Ca -0.01 -3.01 -0.01 0.00 -1.05 0.00 0.00 58.31 54.23 3dby n LYS 120 Cb 0.17 -1.89 -0.00 0.00 -0.65 0.00 0.00 35.03 32.66 3dby n LYS 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3dby n GLY 121 N -0.77 0.37 3.83 2.58 0.00 -0.54 -5.02 105.19 105.63 3dby n GLY 121 Ca 0.30 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 3dby n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dby s GLU 122 N -0.84 3.78 0.17 1.61 2.02 -0.66 -4.96 118.70 119.82 3dby s GLU 122 Ca 0.00 0.12 -0.32 0.00 0.02 0.00 0.00 54.97 54.79 3dby s GLU 122 Cb 0.00 -3.25 -0.11 0.00 0.10 0.00 0.00 34.13 30.88 3dby s GLU 122 CO 0.00 0.64 1.68 0.08 0.02 0.00 0.00 175.26 177.68 3dby s VAL 123 N -0.76 2.41 0.12 2.63 1.01 -1.26 -3.35 120.40 121.20 3dby s VAL 123 Ca 0.18 0.21 -0.31 0.00 0.00 0.00 0.00 61.98 62.07 3dby s VAL 123 Cb -0.14 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 3dby s VAL 123 CO 0.07 0.01 1.65 -2.84 0.00 0.00 0.00 175.10 173.99 3dby s PRO 124 N 1.57 4.19 0.84 2.72 0.02 -1.26 -4.95 135.00 138.13 3dby s PRO 124 Ca 0.74 2.39 -0.11 0.00 0.02 0.00 0.00 61.00 64.04 3dby s PRO 124 Cb -0.46 -3.41 0.10 0.00 0.02 0.00 0.00 34.50 30.75 3dby s PRO 124 CO 0.32 -0.70 1.14 -1.25 -0.33 0.00 0.00 177.00 176.18 3dby s PRO 125 N 2.03 1.57 -0.36 5.54 0.04 -1.26 -4.98 135.00 137.58 3dby s PRO 125 Ca 0.73 1.49 -0.21 0.00 0.04 0.00 0.00 61.00 63.05 3dby s PRO 125 Cb -0.43 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3dby s PRO 125 CO 0.32 -2.21 0.69 0.08 0.04 0.00 0.00 177.00 175.92 3dby s VAL 126 N -2.59 4.84 1.07 -0.36 1.01 -1.26 -5.05 120.40 118.06 3dby s VAL 126 Ca 0.67 0.70 -0.15 0.00 0.00 0.00 0.00 61.98 63.20 3dby s VAL 126 Cb -0.22 -4.12 0.23 0.00 0.00 0.00 0.00 36.38 32.26 3dby s VAL 126 CO 0.55 -0.35 1.11 -0.36 0.00 0.00 0.00 175.10 176.04 3dby s PHE 127 N 2.84 1.53 0.54 5.22 0.08 -1.26 -4.96 117.98 121.97 3dby s PHE 127 Ca 0.27 0.78 -0.22 0.00 0.12 0.00 0.00 56.93 57.88 3dby s PHE 127 Cb -0.14 -3.36 -0.05 0.00 -0.57 0.00 0.00 43.02 38.90 3dby s PHE 127 CO 0.15 -3.25 1.35 1.58 -0.10 0.00 0.00 175.22 174.96 3dby n HIS 128 N -4.38 2.29 0.02 0.36 -0.00 -1.26 -4.74 115.22 107.52 3dby n HIS 128 Ca 0.08 0.43 0.02 0.00 0.46 0.00 0.00 57.72 58.71 3dby n HIS 128 Cb 0.58 -2.37 0.36 0.00 -0.12 0.00 0.00 29.99 28.44 3dby n HIS 128 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 3dby h GLU 129 N 1.49 0.48 -0.04 1.57 4.11 -1.94 -1.34 114.58 118.92 3dby h GLU 129 Ca -0.51 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 58.85 3dby h GLU 129 Cb 1.30 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 3dby h GLU 129 CO 0.57 0.46 0.02 -0.07 0.07 0.00 0.00 179.01 180.06 3dby h LEU 130 N 0.48 0.05 0.16 3.06 3.38 -1.97 -1.02 115.31 119.44 3dby h LEU 130 Ca 0.11 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3dby h LEU 130 Cb 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3dby h LEU 130 CO -0.00 0.03 -0.12 -0.74 0.09 0.00 0.00 178.44 177.70 3dby h HIS 131 N 0.05 -0.31 -0.68 1.13 2.76 -1.60 -0.76 115.15 115.74 3dby h HIS 131 Ca 0.01 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.24 3dby h HIS 131 Cb -0.00 0.11 -0.06 0.00 1.55 0.00 0.00 27.41 29.01 3dby h HIS 131 CO 0.00 -0.19 0.38 1.88 -1.30 0.00 0.00 177.93 178.71 3dby h TYR 132 N -0.29 0.70 -0.38 5.26 0.05 -1.53 -2.37 116.97 118.41 3dby h TYR 132 Ca -0.01 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.84 3dby h TYR 132 Cb 0.25 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 3dby h TYR 132 CO -0.10 0.34 0.13 0.45 -1.05 0.00 0.00 178.16 177.92 3dby h HIS 133 N 0.70 0.23 0.00 4.88 3.86 -0.88 -0.00 115.15 123.93 3dby h HIS 133 Ca 0.31 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.49 3dby h HIS 133 Cb 0.19 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3dby h HIS 133 CO -0.08 0.09 -0.24 -0.07 0.86 0.00 0.00 177.93 178.49 3dby h LEU 134 N 0.28 0.00 0.03 2.43 3.38 -0.87 -1.78 115.31 118.78 3dby h LEU 134 Ca 0.18 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 3dby h LEU 134 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3dby h LEU 134 CO -0.19 0.24 -0.95 0.58 0.09 0.00 0.00 178.44 178.21 3dby h VAL 135 N 0.00 1.19 0.00 1.22 2.07 -1.18 -3.41 116.25 116.15 3dby h VAL 135 Ca -0.00 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.23 3dby h VAL 135 Cb 0.43 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 3dby h VAL 135 CO 0.03 0.51 -0.88 0.79 0.02 0.00 0.00 177.57 178.04 3dby n TRP 136 N -4.33 0.07 0.03 1.57 7.02 -0.04 -3.75 117.44 118.00 3dby n TRP 136 Ca -0.24 0.02 -0.19 0.00 -1.02 0.00 0.00 57.50 56.07 3dby n TRP 136 Cb 0.69 -0.20 -0.09 0.00 -2.42 0.00 0.00 31.31 29.28 3dby n TRP 136 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3dby h LEU 137 N 0.00 0.92 -0.78 -0.99 3.38 -1.50 -1.16 115.31 115.18 3dby h LEU 137 Ca 0.00 -0.70 -0.12 0.00 0.09 0.00 0.00 57.88 57.15 3dby h LEU 137 Cb 0.57 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3dby h LEU 137 CO 0.00 1.50 -0.32 0.71 0.09 0.00 0.00 178.44 180.42 3dby h THR 138 N 0.43 1.28 -0.15 0.22 1.35 -1.80 -1.75 112.91 112.49 3dby h THR 138 Ca -0.11 -1.43 0.02 0.00 -0.55 0.00 0.00 66.41 64.34 3dby h THR 138 Cb 1.63 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 69.47 3dby h THR 138 CO 0.19 0.45 0.02 -0.78 -0.25 0.00 0.00 175.52 175.16 3dby h ASP 139 N 0.47 -0.02 -0.11 5.36 3.58 -1.63 -0.22 116.42 123.85 3dby h ASP 139 Ca 0.05 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 3dby h ASP 139 Cb 0.79 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.88 3dby h ASP 139 CO 0.06 0.01 0.06 0.00 -2.88 0.00 0.00 179.24 176.50 3dby h ALA 140 N 1.12 0.14 -0.82 -0.78 0.00 -1.00 -1.02 119.26 116.89 3dby h ALA 140 Ca 0.07 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.13 3dby h ALA 140 Cb 0.07 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.68 3dby h ALA 140 CO -0.10 -0.32 0.15 0.00 0.00 0.00 0.00 179.25 178.98 3dby h ALA 141 N 0.95 1.07 0.00 0.00 0.00 -1.21 -0.46 119.26 119.61 3dby h ALA 141 Ca 0.04 0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3dby h ALA 141 Cb 0.09 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3dby h ALA 141 CO -0.01 -0.43 -0.38 0.78 0.00 0.00 0.00 179.25 179.21 3dby h GLY 142 N 0.18 0.00 0.69 0.00 0.00 -0.55 -0.45 103.07 102.94 3dby h GLY 142 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 3dby h GLY 142 CO -0.64 0.00 -0.13 0.45 0.00 0.00 0.00 176.54 176.22 3dby h HIS 143 N 0.00 -0.34 -0.68 5.60 3.86 -0.24 -0.51 115.15 122.85 3dby h HIS 143 Ca -0.00 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.27 3dby h HIS 143 Cb 1.03 0.11 -0.06 0.00 1.06 0.00 0.00 27.41 29.55 3dby h HIS 143 CO 0.00 -0.01 0.35 0.00 0.86 0.00 0.00 177.93 179.13 3dby h ALA 144 N -0.07 0.92 0.00 2.45 0.00 -0.99 -1.26 119.26 120.31 3dby h ALA 144 Ca -0.04 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3dby h ALA 144 Cb 0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3dby h ALA 144 CO 0.06 -0.01 -0.37 0.78 0.00 0.00 0.00 179.25 179.71 3dby h GLY 145 N 0.62 0.00 1.73 0.00 0.00 -1.05 0.33 103.07 104.70 3dby h GLY 145 Ca 0.32 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.51 3dby h GLY 145 CO -0.23 0.00 -0.81 1.48 0.00 0.00 0.00 176.54 176.98 3dby h SER 146 N 0.00 0.00 -0.05 0.19 4.64 -0.49 0.37 113.55 118.21 3dby h SER 146 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3dby h SER 146 Cb 0.86 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3dby h SER 146 CO 0.05 0.59 0.02 0.40 -0.87 0.00 0.00 176.83 177.02 3dby h ILE 147 N 0.00 1.11 -0.70 0.95 2.04 -0.83 0.55 117.51 120.64 3dby h ILE 147 Ca -0.05 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.49 3dby h ILE 147 Cb 1.49 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.78 3dby h ILE 147 CO 0.07 0.09 0.46 -1.28 0.00 0.00 0.00 178.15 177.49 3dby h SER 148 N -0.05 0.78 1.09 1.72 0.87 -0.76 -1.34 113.55 115.86 3dby h SER 148 Ca 0.02 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 3dby h SER 148 Cb 0.13 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3dby h SER 148 CO -0.00 0.56 -0.24 1.23 -0.53 0.00 0.00 176.83 177.84 3dby h GLY 149 N 0.93 0.00 0.60 5.77 0.00 -0.87 -3.22 103.07 106.27 3dby h GLY 149 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3dby h GLY 149 CO -0.07 0.00 -0.22 0.61 0.00 0.00 0.00 176.54 176.86 3dby n GLY 150 N 0.37 -0.81 3.80 4.60 0.00 0.18 -4.89 105.19 108.44 3dby n GLY 150 Ca 0.01 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 3dby n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dby s LEU 151 N -2.55 4.51 0.61 0.99 1.43 -0.91 -0.76 118.68 122.00 3dby s LEU 151 Ca 0.24 1.44 -0.18 0.00 -1.03 0.00 0.00 54.13 54.61 3dby s LEU 151 Cb 0.19 -3.20 -0.08 0.00 0.03 0.00 0.00 46.19 43.13 3dby s LEU 151 CO 0.52 0.20 0.48 -0.67 0.23 0.00 0.00 176.35 177.11 3dby n ASP 152 N 1.44 -1.25 -0.23 2.29 2.03 -0.78 -4.88 116.55 115.18 3dby n ASP 152 Ca -0.07 0.69 0.24 0.00 0.52 0.00 0.00 54.79 56.18 3dby n ASP 152 Cb 0.50 -1.16 0.61 0.00 -0.72 0.00 0.00 41.12 40.35 3dby n ASP 152 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3dby h LEU 153 N 0.07 0.22 -0.02 -2.67 5.85 -1.96 -1.65 115.31 115.15 3dby h LEU 153 Ca -0.45 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3dby h LEU 153 Cb 1.39 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.41 3dby h LEU 153 CO 0.45 0.08 -0.06 1.33 -0.34 0.00 0.00 178.44 179.89 3dby n VAL 154 N -4.41 0.00 -1.98 1.05 0.24 -1.26 -4.38 118.33 107.59 3dby n VAL 154 Ca 0.20 -0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.09 3dby n VAL 154 Cb 0.85 -0.38 -0.01 0.00 -1.47 0.00 0.00 33.84 32.84 3dby n VAL 154 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dby n GLU 155 N -1.41 4.39 -0.10 7.34 -0.58 -0.62 -4.71 120.64 124.95 3dby n GLU 155 Ca 0.09 -3.37 -0.14 0.00 -0.42 0.00 0.00 57.16 53.32 3dby n GLU 155 Cb 0.31 -2.69 -0.04 0.00 -0.57 0.00 0.00 31.44 28.46 3dby n GLU 155 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3dby h LYS 156 N 4.79 0.82 -0.54 3.49 6.56 -1.83 -2.12 116.57 127.74 3dby h LYS 156 Ca 0.68 -0.45 -0.09 0.00 -1.06 0.00 0.00 60.65 59.72 3dby h LYS 156 Cb 0.34 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.01 3dby h LYS 156 CO 1.52 1.09 -0.02 -0.09 -2.06 0.00 0.00 179.45 179.89 3dby h ARG 157 N 0.59 0.97 -0.44 3.15 9.65 -1.97 -0.11 114.38 126.22 3dby h ARG 157 Ca 0.04 -0.32 -0.08 0.00 -1.10 0.00 0.00 59.98 58.53 3dby h ARG 157 Cb 0.96 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.44 3dby h ARG 157 CO 0.09 0.99 -0.03 -0.07 2.80 0.00 0.00 179.97 183.75 3dby h LEU 158 N 0.84 0.79 -0.70 3.80 3.38 -1.95 -2.38 115.31 119.09 3dby h LEU 158 Ca 0.15 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.80 3dby h LEU 158 Cb 0.56 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3dby h LEU 158 CO 0.03 0.92 0.46 0.50 0.09 0.00 0.00 178.44 180.44 3dby h LYS 159 N 0.64 0.93 -0.60 1.13 3.64 -1.26 0.77 116.57 121.82 3dby h LYS 159 Ca 0.12 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3dby h LYS 159 Cb 0.53 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 3dby h LYS 159 CO 0.03 0.62 0.37 0.93 -2.27 0.00 0.00 179.45 179.13 3dby h GLU 160 N 0.95 0.72 0.27 1.90 5.08 -0.98 0.67 114.58 123.18 3dby h GLU 160 Ca 0.26 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3dby h GLU 160 Cb -0.10 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 3dby h GLU 160 CO -0.05 0.47 -0.24 -0.22 -1.00 0.00 0.00 179.01 177.97 3dby h LYS 161 N 0.74 -0.51 -0.13 2.33 1.63 -1.17 -2.34 116.57 117.12 3dby h LYS 161 Ca 0.23 0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 60.01 3dby h LYS 161 Cb -0.00 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 3dby h LYS 161 CO -0.09 -0.34 -0.18 0.66 -3.45 0.00 0.00 179.45 176.05 3dby h SER 162 N -0.52 0.20 -0.28 4.20 4.64 -0.42 -2.10 113.55 119.26 3dby h SER 162 Ca -0.01 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 3dby h SER 162 Cb 0.48 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 3dby h SER 162 CO -0.03 0.40 0.15 -0.33 -0.87 0.00 0.00 176.83 176.14 3dby h GLU 163 N 0.20 0.45 -0.05 4.77 5.08 -0.80 -0.97 114.58 123.24 3dby h GLU 163 Ca 0.04 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 3dby h GLU 163 Cb 0.44 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3dby h GLU 163 CO 0.03 0.36 -0.81 1.49 -1.00 0.00 0.00 179.01 179.08 3dby h GLU 164 N 0.45 0.43 0.23 2.33 4.81 -0.82 -1.93 114.58 120.09 3dby h GLU 164 Ca 0.11 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 3dby h GLU 164 Cb 0.07 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3dby h GLU 164 CO -0.01 1.04 -0.11 0.74 -0.73 0.00 0.00 179.01 179.93 3dby h PHE 165 N 0.27 -0.29 -0.79 0.92 0.04 -1.11 -1.14 116.94 114.84 3dby h PHE 165 Ca -0.05 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.83 3dby h PHE 165 Cb 1.41 0.10 -0.13 0.00 2.20 0.00 0.00 35.95 39.53 3dby h PHE 165 CO 0.05 -0.10 -0.44 1.15 -0.60 0.00 0.00 178.31 178.37 3dby h THR 166 N -0.42 0.05 -0.69 -1.55 2.02 -1.18 0.78 112.91 111.92 3dby h THR 166 Ca -0.03 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.17 3dby h THR 166 Cb 0.32 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 3dby h THR 166 CO 0.05 0.00 0.44 0.50 0.37 0.00 0.00 175.52 176.88 3dby h LYS 167 N -0.11 0.85 -0.66 6.66 3.64 -1.24 0.51 116.57 126.22 3dby h LYS 167 Ca 0.24 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3dby h LYS 167 Cb 0.55 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 3dby h LYS 167 CO -0.83 0.56 0.16 0.45 -2.27 0.00 0.00 179.45 177.52 3dby h HIS 168 N 0.88 1.11 -0.53 1.91 3.86 -0.52 -1.08 115.15 120.78 3dby h HIS 168 Ca 0.27 -0.13 -0.10 0.00 -1.16 0.00 0.00 60.37 59.24 3dby h HIS 168 Cb -0.03 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.11 3dby h HIS 168 CO -0.04 0.92 -0.08 0.74 0.86 0.00 0.00 177.93 180.34 3dby h PHE 169 N 0.99 1.10 -0.85 2.45 0.04 -0.53 0.28 116.94 120.41 3dby h PHE 169 Ca 0.21 -0.22 0.01 0.00 2.80 0.00 0.00 57.97 60.77 3dby h PHE 169 Cb 0.36 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 38.20 3dby h PHE 169 CO 0.03 1.02 0.56 0.93 -0.60 0.00 0.00 178.31 180.25 3dby h GLU 170 N 0.86 1.13 -0.61 1.51 5.08 -0.75 -0.64 114.58 121.16 3dby h GLU 170 Ca 0.14 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3dby h GLU 170 Cb 0.63 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3dby h GLU 170 CO 0.04 0.75 0.02 1.96 -1.00 0.00 0.00 179.01 180.78 3dby h GLN 171 N 1.16 1.06 -0.92 2.33 4.20 -1.00 -2.15 115.11 119.78 3dby h GLN 171 Ca 0.31 -0.33 0.03 0.00 0.06 0.00 0.00 58.65 58.73 3dby h GLN 171 Cb -0.13 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.50 3dby h GLN 171 CO -0.07 1.03 0.61 0.74 -0.67 0.00 0.00 178.83 180.46 3dby h PHE 172 N 0.96 1.12 -0.28 2.96 0.04 -0.81 -1.72 116.94 119.22 3dby h PHE 172 Ca 0.17 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.94 3dby h PHE 172 Cb 0.54 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3dby h PHE 172 CO 0.04 0.66 0.05 -0.92 -0.60 0.00 0.00 178.31 177.54 3dby h TYR 173 N 1.17 0.48 -0.83 -0.55 3.20 -0.71 -0.65 116.97 119.07 3dby h TYR 173 Ca 0.36 -0.06 0.07 0.00 3.14 0.00 0.00 58.73 62.23 3dby h TYR 173 Cb -0.01 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.08 3dby h TYR 173 CO -0.00 0.55 0.54 -0.07 -1.64 0.00 0.00 178.16 177.54 3dby h LEU 174 N 0.27 0.80 -0.30 2.82 3.38 -1.16 -0.60 115.31 120.52 3dby h LEU 174 Ca 0.08 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3dby h LEU 174 Cb 0.32 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3dby h LEU 174 CO 0.00 0.52 -0.10 0.50 0.09 0.00 0.00 178.44 179.45 3dby h LYS 175 N 0.91 0.60 -0.73 1.13 3.64 -0.85 -2.81 116.57 118.47 3dby h LYS 175 Ca 0.36 -0.24 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3dby h LYS 175 Cb 0.23 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 3dby h LYS 175 CO -0.13 0.81 0.48 0.00 -2.27 0.00 0.00 179.45 178.34 3dby h ALA 176 N 0.78 1.56 0.14 5.00 0.00 -0.45 -1.06 119.26 125.23 3dby h ALA 176 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3dby h ALA 176 Cb 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dby h ALA 176 CO 0.04 0.37 -0.07 0.28 0.00 0.00 0.00 179.25 179.87 3dby h VAL 177 N 0.90 0.92 -0.85 0.00 2.07 -0.95 -1.18 116.25 117.17 3dby h VAL 177 Ca 0.29 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3dby h VAL 177 Cb 0.03 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3dby h VAL 177 CO -0.08 0.06 0.46 -0.33 0.02 0.00 0.00 177.57 177.70 3dby h GLU 178 N -0.31 1.19 -0.04 1.57 4.39 -1.35 -2.62 114.58 117.41 3dby h GLU 178 Ca -0.02 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.48 3dby h GLU 178 Cb 0.25 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3dby h GLU 178 CO 0.03 0.88 -0.25 0.52 -1.16 0.00 0.00 179.01 179.03 3dby h MET 179 N 1.19 0.06 -0.05 2.33 2.86 -1.08 -1.53 114.93 118.71 3dby h MET 179 Ca 0.30 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3dby h MET 179 Cb 0.04 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 3dby h MET 179 CO -0.05 0.32 0.03 1.15 1.06 0.00 0.00 176.91 179.42 3dby h THR 180 N 0.06 1.03 -0.92 2.22 2.02 -0.85 -1.97 112.91 114.50 3dby h THR 180 Ca 0.01 -0.07 0.18 0.00 0.77 0.00 0.00 66.41 67.29 3dby h THR 180 Cb 0.48 0.99 -0.17 0.00 -1.74 0.00 0.00 68.15 67.71 3dby h THR 180 CO 0.03 0.03 -0.26 1.23 0.37 0.00 0.00 175.52 176.92 3dby h GLY 181 N 0.05 0.53 1.66 2.16 0.00 -1.18 -1.69 103.07 104.60 3dby h GLY 181 Ca 0.02 0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.72 3dby h GLY 181 CO -0.00 -0.32 0.14 -0.97 0.00 0.00 0.00 176.54 175.39 3dby h TYR 182 N -0.01 0.00 0.00 5.60 0.05 -0.50 -0.67 116.97 121.44 3dby h TYR 182 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.20 3dby h TYR 182 Cb 0.65 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.39 3dby h TYR 182 CO -0.74 0.00 0.00 -0.07 -1.05 0.00 0.00 178.16 176.30 3dby h LEU 183 N 0.00 0.00 -1.38 3.88 3.38 -1.15 -0.70 115.31 119.35 3dby h LEU 183 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3dby h LEU 183 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3dby h LEU 183 CO -0.00 0.00 0.00 0.03 0.09 0.00 0.00 178.44 178.56 3dby h ARG 184 N 0.00 0.00 0.00 1.13 3.08 -1.26 0.14 114.38 117.47 3dby h ARG 184 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dby h ARG 184 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3dby h ARG 184 CO 0.00 0.00 -0.02 1.79 -1.07 0.00 0.00 179.97 180.67 3dby h THR 185 N 0.00 0.07 -0.22 2.04 1.35 -1.33 -3.46 112.91 111.36 3dby h THR 185 Ca 0.00 -0.35 -0.10 0.00 -0.55 0.00 0.00 66.41 65.41 3dby h THR 185 Cb 0.23 1.32 -0.04 0.00 -1.73 0.00 0.00 68.15 67.94 3dby h THR 185 CO 0.00 0.02 -0.09 -0.62 -0.25 0.00 0.00 175.52 174.58 3dby n GLU 186 N -3.15 -0.63 -3.37 4.72 1.02 0.48 -5.00 120.64 114.72 3dby n GLU 186 Ca -0.01 0.54 -0.40 0.00 -0.02 0.00 0.00 57.16 57.27 3dby n GLU 186 Cb 0.22 -4.26 -0.09 0.00 -0.02 0.00 0.00 31.44 27.29 3dby n GLU 186 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3dby s LEU 187 N -1.07 4.21 -0.01 -4.62 1.43 -1.26 -4.96 118.68 112.40 3dby s LEU 187 Ca 0.00 0.08 0.16 0.00 -1.03 0.00 0.00 54.13 53.34 3dby s LEU 187 Cb 0.00 -2.43 -0.20 0.00 0.03 0.00 0.00 46.19 43.59 3dby s LEU 187 CO 0.00 -0.28 0.55 1.41 0.23 0.00 0.00 176.35 178.26 3dby n HIS 188 N 5.42 0.00 -4.12 0.29 8.25 -1.26 -4.50 115.22 119.31 3dby n HIS 188 Ca -0.08 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.22 3dby n HIS 188 Cb 0.50 -0.14 -0.15 0.00 1.12 0.00 0.00 29.99 31.32 3dby n HIS 188 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3dby s HIS 189 N -2.73 0.42 -0.02 4.41 3.76 -1.26 -5.04 115.29 114.83 3dby s HIS 189 Ca 0.01 -0.08 -0.29 0.00 -0.15 0.00 0.00 55.06 54.56 3dby s HIS 189 Cb 0.11 -0.28 0.09 0.00 1.11 0.00 0.00 32.58 33.61 3dby s HIS 189 CO 0.66 -0.02 0.76 -0.59 -0.85 0.00 0.00 174.74 174.70 3dby s PHE 190 N -0.02 -0.52 0.21 1.40 -0.12 -1.26 -5.06 117.98 112.61 3dby s PHE 190 Ca 0.01 0.69 -0.14 0.00 -0.05 0.00 0.00 56.93 57.44 3dby s PHE 190 Cb -0.03 0.47 0.24 0.00 -0.63 0.00 0.00 43.02 43.08 3dby s PHE 190 CO -0.00 -0.60 1.62 -1.35 -0.05 0.00 0.00 175.22 174.83 3dby h PRO 191 N 2.51 -0.02 -0.69 1.99 0.11 -2.01 -1.15 132.00 132.74 3dby h PRO 191 Ca -0.26 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.96 3dby h PRO 191 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 3dby h PRO 191 CO 0.36 -0.01 0.46 0.00 -0.21 0.00 0.00 178.00 178.59 3dby h ALA 192 N 1.58 1.97 0.07 -0.75 0.00 -1.99 -1.11 119.26 119.04 3dby h ALA 192 Ca 0.31 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.96 3dby h ALA 192 Cb 0.49 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.21 3dby h ALA 192 CO -0.68 -0.13 -1.00 1.25 0.00 0.00 0.00 179.25 178.68 3dby h LEU 193 N 0.49 0.76 -0.84 0.00 5.85 -1.64 -2.45 115.31 117.49 3dby h LEU 193 Ca 0.32 -0.80 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 3dby h LEU 193 Cb 0.59 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3dby h LEU 193 CO -0.10 1.48 0.36 0.11 -0.34 0.00 0.00 178.44 179.95 3dby h LYS 194 N 0.14 1.21 -0.45 1.25 1.79 -1.26 -1.58 116.57 117.67 3dby h LYS 194 Ca -0.14 -0.20 -0.05 0.00 -2.18 0.00 0.00 60.65 58.08 3dby h LYS 194 Cb 1.70 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 32.12 3dby h LYS 194 CO 0.19 0.95 0.07 -0.22 -1.08 0.00 0.00 179.45 179.37 3dby h LYS 195 N 1.19 0.69 -0.25 3.15 1.63 -1.20 -2.28 116.57 119.50 3dby h LYS 195 Ca 0.28 -0.14 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 3dby h LYS 195 Cb 0.17 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 3dby h LYS 195 CO -0.03 0.66 -0.03 0.35 -3.45 0.00 0.00 179.45 176.95 3dby h PHE 196 N 0.67 0.52 -0.62 1.91 3.57 -1.06 -0.33 116.94 121.59 3dby h PHE 196 Ca 0.14 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 3dby h PHE 196 Cb 0.31 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3dby h PHE 196 CO 0.01 0.66 0.18 1.15 -2.23 0.00 0.00 178.31 178.08 3dby h THR 197 N 0.23 1.24 -0.43 4.41 2.02 -1.20 0.25 112.91 119.43 3dby h THR 197 Ca 0.07 -0.84 0.01 0.00 0.77 0.00 0.00 66.41 66.42 3dby h THR 197 Cb 0.47 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3dby h THR 197 CO 0.02 0.32 0.27 0.11 0.37 0.00 0.00 175.52 176.61 3dby h LYS 198 N 0.92 0.52 -0.62 6.66 1.57 -1.22 -1.09 116.57 123.31 3dby h LYS 198 Ca 0.20 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3dby h LYS 198 Cb 0.29 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3dby h LYS 198 CO -0.01 0.35 0.28 -0.44 -0.57 0.00 0.00 179.45 179.06 3dby h ASP 199 N 0.54 0.82 -0.67 0.86 3.32 -0.29 -1.96 116.42 119.03 3dby h ASP 199 Ca 0.17 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 3dby h ASP 199 Cb -0.02 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 3dby h ASP 199 CO -0.06 0.74 0.40 0.58 -1.72 0.00 0.00 179.24 179.18 3dby h VAL 200 N 0.85 1.20 -0.63 -1.35 2.07 -0.48 -2.21 116.25 115.70 3dby h VAL 200 Ca 0.21 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 3dby h VAL 200 Cb 0.15 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 3dby h VAL 200 CO -0.02 0.21 0.22 0.28 0.02 0.00 0.00 177.57 178.27 3dby h SER 201 N 0.92 0.88 0.26 0.57 0.02 -0.93 0.32 113.55 115.58 3dby h SER 201 Ca 0.24 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3dby h SER 201 Cb -0.02 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.29 3dby h SER 201 CO -0.04 0.81 -0.14 0.25 -1.14 0.00 0.00 176.83 176.57 3dby h LEU 202 N 0.92 -0.33 -1.01 5.07 5.85 -1.26 -1.62 115.31 122.93 3dby h LEU 202 Ca 0.21 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.99 3dby h LEU 202 Cb 0.24 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 3dby h LEU 202 CO -0.01 -0.23 0.66 -0.08 -0.34 0.00 0.00 178.44 178.44 3dby h GLU 203 N -0.37 1.20 -0.03 1.25 4.57 -0.88 -1.76 114.58 118.57 3dby h GLU 203 Ca -0.03 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 3dby h GLU 203 Cb 0.29 -0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3dby h GLU 203 CO 0.05 0.79 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.55 3dby h LEU 204 N 1.24 0.03 -0.09 1.64 3.38 -0.59 -0.46 115.31 120.46 3dby h LEU 204 Ca 0.41 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.25 3dby h LEU 204 Cb 0.07 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.82 3dby h LEU 204 CO -0.14 0.09 -0.47 0.11 0.09 0.00 0.00 178.44 178.12 3dby h LYS 205 N 0.04 0.48 -0.82 1.13 6.56 -0.45 -0.20 116.57 123.31 3dby h LYS 205 Ca 0.01 -0.40 0.03 0.00 -1.06 0.00 0.00 60.65 59.24 3dby h LYS 205 Cb 0.12 0.08 -0.05 0.00 -0.57 0.00 0.00 32.23 31.81 3dby h LYS 205 CO 0.01 1.03 0.54 -0.07 -2.06 0.00 0.00 179.45 178.89 3dby h LEU 206 N 0.06 0.88 0.01 2.94 3.38 -0.79 -1.96 115.31 119.83 3dby h LEU 206 Ca -0.03 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 3dby h LEU 206 Cb 1.12 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.68 3dby h LEU 206 CO 0.10 0.61 -0.60 0.15 0.09 0.00 0.00 178.44 178.78 3dby h PHE 207 N 1.02 0.60 -0.54 1.13 3.57 -0.93 -1.46 116.94 120.33 3dby h PHE 207 Ca 0.32 -0.33 0.11 0.00 3.53 0.00 0.00 57.97 61.60 3dby h PHE 207 Cb 0.02 -0.07 -0.09 0.00 2.79 0.00 0.00 35.95 38.61 3dby h PHE 207 CO -0.00 1.15 -0.02 0.77 -2.23 0.00 0.00 178.31 177.98 3dby h SER 208 N -0.13 -0.28 -0.36 0.41 0.02 -0.94 0.30 113.55 112.57 3dby h SER 208 Ca -0.08 0.14 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3dby h SER 208 Cb 1.32 0.25 -0.03 0.00 0.14 0.00 0.00 62.40 64.08 3dby h SER 208 CO 0.12 -0.10 0.18 -0.74 -1.14 0.00 0.00 176.83 175.14 3dby h HIS 209 N 0.10 0.32 -0.86 3.45 -0.00 -1.19 -0.48 115.15 116.49 3dby h HIS 209 Ca 0.28 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.74 3dby h HIS 209 Cb 0.43 -0.09 -0.07 0.00 -0.00 0.00 0.00 27.41 27.68 3dby h HIS 209 CO -0.35 0.17 0.52 0.35 -0.00 0.00 0.00 177.93 178.62 3dby h PHE 210 N 0.36 0.96 -0.45 5.26 3.57 -0.47 -0.92 116.94 125.26 3dby h PHE 210 Ca 0.15 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 3dby h PHE 210 Cb 0.07 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 3dby h PHE 210 CO -0.10 0.46 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.29 3dby h LEU 211 N 0.92 0.76 -0.53 0.59 3.38 0.01 0.16 115.31 120.61 3dby h LEU 211 Ca 0.39 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 3dby h LEU 211 Cb 0.24 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3dby h LEU 211 CO -0.20 0.87 0.09 0.45 0.09 0.00 0.00 178.44 179.75 3dby h HIS 212 N 0.71 0.93 -0.35 1.13 3.86 -0.69 0.21 115.15 120.95 3dby h HIS 212 Ca 0.13 -0.13 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3dby h HIS 212 Cb 0.54 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 3dby h HIS 212 CO 0.03 0.83 0.17 0.93 0.86 0.00 0.00 177.93 180.75 3dby h GLU 213 N 0.76 0.34 -0.71 2.45 5.08 -0.77 -1.21 114.58 120.52 3dby h GLU 213 Ca 0.16 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3dby h GLU 213 Cb 0.40 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3dby h GLU 213 CO 0.01 0.23 0.37 0.28 -1.00 0.00 0.00 179.01 178.89 3dby h VAL 214 N 0.35 1.22 -0.57 3.13 2.07 -0.53 -1.02 116.25 120.90 3dby h VAL 214 Ca 0.15 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.14 3dby h VAL 214 Cb 0.07 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 3dby h VAL 214 CO -0.11 0.25 0.27 -0.08 0.02 0.00 0.00 177.57 177.92 3dby h GLU 215 N 0.98 0.49 -0.32 1.57 4.81 -0.70 -0.50 114.58 120.92 3dby h GLU 215 Ca 0.25 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.33 3dby h GLU 215 Cb 0.07 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3dby h GLU 215 CO -0.04 0.32 -0.29 0.93 -0.73 0.00 0.00 179.01 179.20 3dby h GLU 216 N 0.51 0.67 -0.76 1.92 4.39 -0.91 -1.19 114.58 119.20 3dby h GLU 216 Ca 0.26 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 3dby h GLU 216 Cb 0.22 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3dby h GLU 216 CO -0.21 0.89 0.27 -0.07 -1.16 0.00 0.00 179.01 178.73 3dby h LEU 217 N 0.57 1.07 -0.39 1.33 3.38 -0.81 -1.55 115.31 118.92 3dby h LEU 217 Ca 0.07 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3dby h LEU 217 Cb 0.79 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3dby h LEU 217 CO 0.07 0.97 0.07 -0.33 0.09 0.00 0.00 178.44 179.30 3dby h GLU 218 N 1.11 0.64 -0.70 1.13 4.39 -0.89 0.43 114.58 120.69 3dby h GLU 218 Ca 0.25 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 3dby h GLU 218 Cb 0.26 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 3dby h GLU 218 CO -0.02 0.69 0.33 -0.07 -1.16 0.00 0.00 179.01 178.78 3dby h LEU 219 N 0.49 0.91 -1.50 1.33 3.38 -1.03 -2.06 115.31 116.83 3dby h LEU 219 Ca 0.12 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3dby h LEU 219 Cb 0.35 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3dby h LEU 219 CO 0.01 0.77 0.00 -1.54 0.09 0.00 0.00 178.44 177.77 3dby n SER 220 N -4.33 2.23 -2.57 -0.43 3.41 -0.60 -4.92 113.62 106.40 3dby n SER 220 Ca 0.07 -1.83 -0.18 0.00 -0.26 0.00 0.00 58.87 56.67 3dby n SER 220 Cb 0.14 -0.17 -0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3dby n SER 220 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3dby n ASN 221 N 0.70 -4.95 -0.12 4.04 3.02 -0.77 -4.90 115.26 112.27 3dby n ASN 221 Ca 0.17 0.01 0.14 0.00 -0.03 0.00 0.00 54.58 54.86 3dby n ASN 221 Cb 0.41 -4.13 0.50 0.00 -0.61 0.00 0.00 39.78 35.95 3dby n ASN 221 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dby n GLU 222 N -3.12 0.55 -4.43 3.52 1.02 0.15 -4.83 120.64 113.51 3dby n GLU 222 Ca -0.17 -0.24 -0.29 0.00 -0.02 0.00 0.00 57.16 56.44 3dby n GLU 222 Cb 0.64 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.43 3dby n GLU 222 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3dby s VAL 223 N -2.61 2.19 -0.25 2.62 0.11 -1.20 -5.02 120.40 116.24 3dby s VAL 223 Ca 0.24 -1.70 -0.08 0.00 -2.93 0.00 0.00 61.98 57.50 3dby s VAL 223 Cb 0.19 -1.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.07 3dby s VAL 223 CO 0.52 0.10 0.10 -0.76 -3.33 0.00 0.00 175.10 171.73 3dby s LEU 224 N -1.97 3.60 0.18 2.54 1.43 -1.26 -4.88 118.68 118.32 3dby s LEU 224 Ca 0.13 -0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 52.86 3dby s LEU 224 Cb -0.10 -1.97 0.08 0.00 0.03 0.00 0.00 46.19 44.22 3dby s LEU 224 CO 0.05 -0.03 1.04 -0.94 0.23 0.00 0.00 176.35 176.71 3dby s SER 225 N 1.61 -0.00 -0.13 2.29 1.04 -1.26 -1.86 113.70 115.39 3dby s SER 225 Ca 0.06 -0.66 0.15 0.00 0.48 0.00 0.00 55.95 55.99 3dby s SER 225 Cb -0.15 0.49 0.42 0.00 0.10 0.00 0.00 66.02 66.88 3dby s SER 225 CO 0.05 -0.97 1.32 1.33 0.98 0.00 0.00 173.24 175.95 3dby n VAL 226 N -0.70 1.91 -2.29 5.02 0.24 0.06 -4.90 118.33 117.67 3dby n VAL 226 Ca -0.03 -1.73 -0.23 0.00 -2.04 0.00 0.00 64.34 60.31 3dby n VAL 226 Cb 0.59 -0.07 0.14 0.00 -1.47 0.00 0.00 33.84 33.03 3dby n VAL 226 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3dby n LEU 227 N -0.48 0.00 -4.01 1.34 4.77 -1.26 -5.06 117.00 112.30 3dby n LEU 227 Ca 0.17 -1.69 -0.08 0.00 -0.03 0.00 0.00 56.01 54.39 3dby n LEU 227 Cb 0.73 -0.71 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 3dby n LEU 227 CO 0.11 -1.10 -0.30 -0.94 -1.33 0.00 0.00 177.39 173.83 3dby s SER 228 N -4.96 0.34 0.21 -1.43 1.04 -1.26 -5.04 113.70 102.61 3dby s SER 228 Ca 0.63 -0.78 -0.10 0.00 0.48 0.00 0.00 55.95 56.18 3dby s SER 228 Cb -0.03 0.21 0.20 0.00 0.10 0.00 0.00 66.02 66.50 3dby s SER 228 CO 0.43 -0.55 1.85 0.00 0.98 0.00 0.00 173.24 175.95 3dby h ALA 229 N 3.44 0.94 -0.54 5.32 0.00 -1.88 -2.55 119.26 124.00 3dby h ALA 229 Ca -0.33 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3dby h ALA 229 Cb 1.17 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3dby h ALA 229 CO 0.58 0.24 0.36 -0.09 0.00 0.00 0.00 179.25 180.33 3dby h ARG 230 N 0.88 0.60 -0.29 0.00 2.43 -1.96 0.65 114.38 116.68 3dby h ARG 230 Ca 0.29 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 3dby h ARG 230 Cb 0.02 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3dby h ARG 230 CO -0.11 0.39 -0.06 1.98 -1.51 0.00 0.00 179.97 180.66 3dby h MET 231 N 0.61 0.56 -0.45 0.20 4.05 -1.87 -0.35 114.93 117.67 3dby h MET 231 Ca 0.22 -0.21 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 3dby h MET 231 Cb 0.10 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.84 3dby h MET 231 CO -0.06 0.75 0.29 0.00 0.23 0.00 0.00 176.91 178.13 3dby h ALA 232 N 0.79 0.58 -0.09 0.39 0.00 -1.00 0.32 119.26 120.25 3dby h ALA 232 Ca 0.08 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3dby h ALA 232 Cb 0.54 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3dby h ALA 232 CO 0.03 0.01 -0.21 0.22 0.00 0.00 0.00 179.25 179.30 3dby h ASP 233 N 0.60 -0.64 0.06 0.00 3.58 -0.88 -1.19 116.42 117.95 3dby h ASP 233 Ca 0.17 0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.74 3dby h ASP 233 Cb -0.05 0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 3dby h ASP 233 CO -0.05 -0.27 -0.22 -0.74 -2.88 0.00 0.00 179.24 175.09 3dby h HIS 234 N -0.29 -0.59 -0.71 0.28 2.76 -0.79 0.12 115.15 115.94 3dby h HIS 234 Ca 0.09 0.02 0.14 0.00 -2.20 0.00 0.00 60.37 58.41 3dby h HIS 234 Cb 0.41 0.25 -0.10 0.00 1.55 0.00 0.00 27.41 29.52 3dby h HIS 234 CO -0.30 -0.31 0.21 0.52 -1.30 0.00 0.00 177.93 176.75 3dby h MET 235 N -0.38 0.31 -0.43 5.26 2.86 -0.91 -1.95 114.93 119.68 3dby h MET 235 Ca 0.04 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 3dby h MET 235 Cb 0.43 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 3dby h MET 235 CO -0.16 0.21 -0.22 0.00 1.06 0.00 0.00 176.91 177.80 3dby h ALA 236 N 1.56 0.60 -0.89 6.32 0.00 -0.50 -1.02 119.26 125.33 3dby h ALA 236 Ca 0.39 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3dby h ALA 236 Cb 0.63 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3dby h ALA 236 CO -0.45 0.58 0.57 0.00 0.00 0.00 0.00 179.25 179.96 3dby h ARG 237 N 0.73 1.07 -0.26 0.00 3.08 -0.78 -0.80 114.38 117.43 3dby h ARG 237 Ca 0.09 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 3dby h ARG 237 Cb 0.79 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3dby h ARG 237 CO 0.06 0.71 -0.37 0.93 -1.07 0.00 0.00 179.97 180.23 3dby h GLU 238 N 1.10 0.58 -0.20 0.04 5.08 -1.05 -1.07 114.58 119.07 3dby h GLU 238 Ca 0.36 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3dby h GLU 238 Cb 0.02 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3dby h GLU 238 CO -0.12 0.87 -0.18 0.93 -1.00 0.00 0.00 179.01 179.50 3dby h GLU 239 N 0.49 0.34 -0.05 2.33 4.39 -0.78 -1.82 114.58 119.47 3dby h GLU 239 Ca 0.05 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3dby h GLU 239 Cb 0.87 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 3dby h GLU 239 CO 0.07 0.51 0.00 0.00 -1.16 0.00 0.00 179.01 178.44 3dby h TYR 241 N -0.20 -0.04 -0.37 0.00 3.20 -1.09 0.58 116.97 119.05 3dby h TYR 241 Ca 0.01 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.95 3dby h TYR 241 Cb 0.32 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 3dby h TYR 241 CO 0.03 -0.14 0.19 -0.92 -1.64 0.00 0.00 178.16 175.69 3dby h TYR 242 N 0.11 0.36 -0.57 -3.82 3.20 -1.20 -0.87 116.97 114.18 3dby h TYR 242 Ca 0.28 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 3dby h TYR 242 Cb 0.43 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 3dby h TYR 242 CO -0.34 0.19 0.35 -0.07 -1.64 0.00 0.00 178.16 176.65 3dby h LEU 243 N 0.39 0.68 -0.25 2.82 3.38 -0.23 -0.32 115.31 121.79 3dby h LEU 243 Ca 0.16 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3dby h LEU 243 Cb 0.05 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3dby h LEU 243 CO -0.10 0.54 0.07 0.25 0.09 0.00 0.00 178.44 179.28 3dby h LEU 244 N 0.77 0.05 -0.34 1.67 5.85 -0.75 -1.52 115.31 121.04 3dby h LEU 244 Ca 0.21 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.97 3dby h LEU 244 Cb -0.02 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3dby h LEU 244 CO -0.04 0.06 0.21 0.11 -0.34 0.00 0.00 178.44 178.44 3dby h LYS 245 N 0.17 0.41 -0.54 1.25 1.79 -0.60 -0.45 116.57 118.61 3dby h LYS 245 Ca 0.11 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.56 3dby h LYS 245 Cb 0.10 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 3dby h LYS 245 CO -0.14 0.27 0.36 -0.07 -1.08 0.00 0.00 179.45 178.79 3dby h LEU 246 N 0.42 0.62 -0.42 2.94 3.38 -0.99 0.01 115.31 121.26 3dby h LEU 246 Ca 0.13 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3dby h LEU 246 Cb -0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3dby h LEU 246 CO -0.05 0.45 0.16 0.00 0.09 0.00 0.00 178.44 179.09 3dby h ALA 247 N 1.20 0.55 -0.56 1.53 0.00 -0.66 0.33 119.26 121.65 3dby h ALA 247 Ca 0.20 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3dby h ALA 247 Cb -0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3dby h ALA 247 CO -0.04 0.17 0.03 1.96 0.00 0.00 0.00 179.25 181.36 3dby h GLN 248 N 0.54 0.97 0.08 0.00 4.20 -1.04 -0.14 115.11 119.71 3dby h GLN 248 Ca 0.14 -0.29 -0.27 0.00 0.06 0.00 0.00 58.65 58.29 3dby h GLN 248 Cb 0.21 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3dby h GLN 248 CO -0.01 0.96 -1.29 0.66 -0.67 0.00 0.00 178.83 178.47 3dby h SER 249 N 0.85 0.25 0.78 1.46 4.64 -0.76 -3.35 113.55 117.41 3dby h SER 249 Ca 0.16 -0.30 -0.08 0.00 -0.47 0.00 0.00 61.79 61.10 3dby h SER 249 Cb 0.50 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3dby h SER 249 CO 0.02 1.24 -1.28 -0.24 -0.87 0.00 0.00 176.83 175.70 3dby n SER 250 N -3.41 0.78 -0.26 4.97 2.88 0.11 -4.72 113.62 113.97 3dby n SER 250 Ca -0.09 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 3dby n SER 250 Cb 1.01 0.44 0.00 0.00 -0.75 0.00 0.00 64.21 64.91 3dby n SER 250 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dby n GLY 251 N 1.29 0.82 3.84 0.46 0.00 -0.33 -5.05 105.19 106.22 3dby n GLY 251 Ca -0.05 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 3dby n GLY 251 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dby s LEU 252 N -0.52 3.22 0.29 0.99 1.43 -0.21 -5.04 118.68 118.84 3dby s LEU 252 Ca 0.00 -0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 51.89 3dby s LEU 252 Cb 0.00 -1.76 -0.12 0.00 0.03 0.00 0.00 46.19 44.34 3dby s LEU 252 CO 0.00 -0.69 1.55 1.21 0.23 0.00 0.00 176.35 178.65 3dby n GLU 253 N -1.49 2.57 -1.74 1.70 2.13 -1.26 -4.63 120.64 117.92 3dby n GLU 253 Ca 0.02 0.91 -0.42 0.00 0.66 0.00 0.00 57.16 58.33 3dby n GLU 253 Cb 0.63 -2.66 -0.02 0.00 0.27 0.00 0.00 31.44 29.66 3dby n GLU 253 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3dby n MET 254 N 1.97 2.63 -2.02 5.31 2.81 -1.26 -4.82 117.12 121.74 3dby n MET 254 Ca 0.08 0.93 -0.34 0.00 -1.81 0.00 0.00 57.70 56.57 3dby n MET 254 Cb 0.36 -2.70 0.02 0.00 -0.71 0.00 0.00 33.22 30.19 3dby n MET 254 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3dby s PRO 255 N -0.59 3.11 -0.42 0.03 0.04 -1.26 -5.00 135.00 130.91 3dby s PRO 255 Ca 0.64 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 63.02 3dby s PRO 255 Cb -0.51 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.10 3dby s PRO 255 CO 0.50 -1.01 0.29 -1.59 0.04 0.00 0.00 177.00 175.22 3dby s LYS 256 N -3.72 2.79 0.00 4.56 -2.85 -1.26 -4.97 119.74 114.28 3dby s LYS 256 Ca 0.69 -1.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.35 3dby s LYS 256 Cb -0.21 -3.89 0.00 0.00 -2.06 0.00 0.00 37.83 31.67 3dby s LYS 256 CO 0.34 -0.91 0.00 0.00 0.10 0.00 0.00 175.35 174.89 3dby s ASN 258 N 0.00 5.49 0.58 0.00 2.47 -1.26 -4.96 114.94 117.26 3dby s ASN 258 Ca 0.00 -0.69 0.36 0.00 0.42 0.00 0.00 52.86 52.96 3dby s ASN 258 Cb 0.00 -1.98 1.74 0.00 -1.45 0.00 0.00 41.25 39.57 3dby s ASN 258 CO 0.00 -0.24 2.13 -0.65 -3.72 0.00 0.00 177.10 174.62 3dby h PRO 259 N 8.34 0.00 0.00 0.43 0.11 -1.91 -3.17 132.00 135.80 3dby h PRO 259 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3dby h PRO 259 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3dby h PRO 259 CO 0.62 0.03 -1.25 1.28 -0.21 0.00 0.00 178.00 178.47 3dby n LEU 260 N -3.18 0.54 -3.61 2.35 4.77 -1.26 -4.75 117.00 111.86 3dby n LEU 260 Ca -0.01 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 3dby n LEU 260 Cb 0.22 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.18 3dby n LEU 260 CO 0.25 0.02 0.56 -0.70 -1.33 0.00 0.00 177.39 176.20 3dby s GLU 261 N -3.28 0.75 0.58 3.23 2.12 -1.20 -4.94 118.70 115.97 3dby s GLU 261 Ca 0.01 0.64 0.07 0.00 0.36 0.00 0.00 54.97 56.06 3dby s GLU 261 Cb 0.14 0.36 0.08 0.00 0.26 0.00 0.00 34.13 34.97 3dby s GLU 261 CO 0.83 -0.14 0.80 0.20 -0.54 0.00 0.00 175.26 176.41 3dby s GLY 262 N -0.13 1.77 0.30 -1.50 0.00 -1.26 -4.52 107.32 101.97 3dby s GLY 262 Ca -0.01 -1.99 0.26 0.00 0.00 0.00 0.00 44.72 42.97 3dby s GLY 262 CO 0.01 -1.55 1.75 1.12 0.00 0.00 0.00 173.10 174.43 3dby h HIS 263 N 0.11 0.00 0.00 1.90 2.07 -1.99 -3.35 115.15 113.89 3dby h HIS 263 Ca -0.33 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.08 3dby h HIS 263 Cb 1.28 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.24 3dby h HIS 263 CO 0.32 0.00 -1.42 0.72 -3.07 0.00 0.00 177.93 174.47 3dby n HIS 264 N -2.48 0.00 -2.75 6.12 8.25 -1.26 -4.87 115.22 118.23 3dby n HIS 264 Ca 0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.07 3dby n HIS 264 Cb 0.38 -0.29 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 3dby n HIS 264 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3dby s HIS 265 N -2.15 3.03 0.03 4.41 3.76 -1.26 -4.83 115.29 118.28 3dby s HIS 265 Ca -0.09 -1.61 -0.28 0.00 -0.15 0.00 0.00 55.06 52.93 3dby s HIS 265 Cb 0.02 -4.52 0.09 0.00 1.11 0.00 0.00 32.58 29.29 3dby s HIS 265 CO 0.18 -1.64 0.96 -3.38 -0.85 0.00 0.00 174.74 170.00 3dby s HIS 266 N 3.24 -0.24 -0.28 1.40 -0.00 -1.26 -4.40 115.29 113.75 3dby s HIS 266 Ca 0.45 0.06 0.09 0.00 -0.00 0.00 0.00 55.06 55.66 3dby s HIS 266 Cb -0.00 0.57 0.46 0.00 -0.00 0.00 0.00 32.58 33.61 3dby s HIS 266 CO -0.01 -0.59 1.18 0.72 -0.00 0.00 0.00 174.74 176.04 3dby n HIS 267 N -0.32 2.47 0.35 0.38 8.25 -1.26 -5.18 115.22 119.91 3dby n HIS 267 Ca -0.07 -2.17 0.04 0.00 -0.26 0.00 0.00 57.72 55.26 3dby n HIS 267 Cb 0.61 -0.32 0.04 0.00 1.12 0.00 0.00 29.99 31.43 3dby n HIS 267 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59