#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjo s PRO 2 N 0.00 2.45 0.11 0.00 0.04 -1.26 -4.97 135.00 131.38 1xjo s PRO 2 Ca 0.00 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 61.66 1xjo s PRO 2 Cb 0.00 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 1xjo s PRO 2 CO 0.00 -1.44 1.03 0.34 0.04 0.00 0.00 177.00 176.98 1xjo s ASP 3 N -3.70 7.36 -0.14 6.66 -1.08 -1.26 -4.81 116.67 119.71 1xjo s ASP 3 Ca 0.60 1.89 -0.22 0.00 -0.52 0.00 0.00 52.55 54.30 1xjo s ASP 3 Cb -0.15 -2.59 -0.03 0.00 -1.46 0.00 0.00 42.92 38.69 1xjo s ASP 3 CO 0.55 -0.18 0.69 -0.63 0.52 0.00 0.00 175.17 176.12 1xjo s ILE 4 N 0.17 5.01 -0.11 4.11 -1.09 -1.26 -5.01 121.20 123.02 1xjo s ILE 4 Ca 0.50 1.35 -0.30 0.00 -2.23 0.00 0.00 60.65 59.97 1xjo s ILE 4 Cb -0.26 -4.01 -0.03 0.00 -1.58 0.00 0.00 42.46 36.59 1xjo s ILE 4 CO 0.31 0.16 1.30 -2.84 -1.23 0.00 0.00 174.94 172.64 1xjo s PRO 5 N 1.47 4.27 0.30 2.79 0.02 -1.26 -4.79 135.00 137.79 1xjo s PRO 5 Ca 0.34 1.75 0.03 0.00 0.02 0.00 0.00 61.00 63.13 1xjo s PRO 5 Cb -0.17 -3.71 0.60 0.00 0.02 0.00 0.00 34.50 31.25 1xjo s PRO 5 CO 0.14 -0.63 1.86 1.25 -0.33 0.00 0.00 177.00 179.28 1xjo h LEU 6 N 9.20 0.87 -1.42 -5.54 5.85 -1.95 -0.99 115.31 121.34 1xjo h LEU 6 Ca -0.31 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.49 1xjo h LEU 6 Cb 1.13 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1xjo h LEU 6 CO 0.94 0.48 0.43 0.00 -0.34 0.00 0.00 178.44 179.95 1xjo h ALA 7 N 1.54 1.67 -0.39 1.25 0.00 -1.99 0.03 119.26 121.37 1xjo h ALA 7 Ca 0.46 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.19 1xjo h ALA 7 Cb 0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xjo h ALA 7 CO -0.22 0.26 -0.37 -0.91 0.00 0.00 0.00 179.25 178.00 1xjo h ASN 8 N 0.75 0.98 -0.53 0.00 4.21 -1.58 -0.57 115.58 118.84 1xjo h ASN 8 Ca 0.26 -0.44 -0.01 0.00 1.21 0.00 0.00 56.30 57.32 1xjo h ASN 8 Cb 0.11 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 37.01 1xjo h ASN 8 CO -0.08 1.24 0.30 0.58 -1.29 0.00 0.00 177.43 178.18 1xjo h VAL 9 N 0.76 1.18 -0.44 2.81 2.07 -0.89 -2.44 116.25 119.30 1xjo h VAL 9 Ca 0.07 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1xjo h VAL 9 Cb 0.96 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1xjo h VAL 9 CO 0.09 0.19 0.08 0.11 0.02 0.00 0.00 177.57 178.06 1xjo h LYS 10 N 0.71 0.67 -0.52 1.57 1.57 -0.98 -2.08 116.57 117.51 1xjo h LYS 10 Ca 0.19 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1xjo h LYS 10 Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1xjo h LYS 10 CO -0.03 0.63 0.15 0.00 -0.57 0.00 0.00 179.45 179.63 1xjo h ALA 11 N 1.44 1.28 -0.51 3.86 0.00 -0.64 0.10 119.26 124.80 1xjo h ALA 11 Ca 0.14 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1xjo h ALA 11 Cb 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1xjo h ALA 11 CO 0.00 0.51 -0.06 0.45 0.00 0.00 0.00 179.25 180.15 1xjo h HIS 12 N 0.76 0.99 -0.76 0.00 3.86 -1.01 -1.73 115.15 117.26 1xjo h HIS 12 Ca 0.17 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1xjo h HIS 12 Cb 0.25 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 1xjo h HIS 12 CO 0.01 0.92 0.38 -0.07 0.86 0.00 0.00 177.93 180.04 1xjo h LEU 13 N 0.82 0.98 -0.73 2.43 3.38 -0.65 -0.30 115.31 121.25 1xjo h LEU 13 Ca 0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xjo h LEU 13 Cb 0.58 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1xjo h LEU 13 CO 0.03 0.83 0.44 0.74 0.09 0.00 0.00 178.44 180.57 1xjo h THR 14 N 1.07 1.21 -0.60 0.22 2.02 -0.55 0.61 112.91 116.88 1xjo h THR 14 Ca 0.26 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1xjo h THR 14 Cb 0.10 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 1xjo h THR 14 CO -0.04 0.22 0.39 1.56 0.37 0.00 0.00 175.52 178.03 1xjo h GLN 15 N 1.00 0.80 -0.34 6.66 1.08 -0.78 -0.95 115.11 122.59 1xjo h GLN 15 Ca 0.26 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.35 1xjo h GLN 15 Cb -0.03 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.21 1xjo h GLN 15 CO -0.05 0.53 -0.05 -0.07 -0.95 0.00 0.00 178.83 178.24 1xjo h LEU 16 N 0.82 0.52 -0.52 1.46 3.38 -0.45 -0.77 115.31 119.76 1xjo h LEU 16 Ca 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1xjo h LEU 16 Cb -0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1xjo h LEU 16 CO -0.05 0.63 0.27 -1.28 0.09 0.00 0.00 178.44 178.11 1xjo h SER 17 N 0.52 0.65 -0.49 -0.43 0.87 -0.33 -0.86 113.55 113.48 1xjo h SER 17 Ca 0.10 -0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 1xjo h SER 17 Cb 0.42 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1xjo h SER 17 CO 0.02 0.57 -0.16 0.74 -0.53 0.00 0.00 176.83 177.47 1xjo h THR 18 N 0.69 1.27 -0.59 2.23 2.02 -0.76 -0.69 112.91 117.07 1xjo h THR 18 Ca 0.18 -1.32 0.02 0.00 0.77 0.00 0.00 66.41 66.06 1xjo h THR 18 Cb 0.07 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 1xjo h THR 18 CO -0.03 0.46 0.37 0.40 0.37 0.00 0.00 175.52 177.09 1xjo h ILE 19 N 0.86 1.10 -0.31 3.11 2.04 -0.87 0.60 117.51 124.04 1xjo h ILE 19 Ca 0.12 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1xjo h ILE 19 Cb 0.73 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1xjo h ILE 19 CO 0.06 0.14 0.12 0.00 0.00 0.00 0.00 178.15 178.46 1xjo h ALA 20 N 1.25 0.41 -0.67 1.87 0.00 -0.82 -2.10 119.26 119.19 1xjo h ALA 20 Ca 0.23 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1xjo h ALA 20 Cb -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1xjo h ALA 20 CO -0.08 0.01 0.44 0.00 0.00 0.00 0.00 179.25 179.62 1xjo h ALA 21 N 0.96 1.81 -0.00 0.00 0.00 -0.56 0.76 119.26 122.24 1xjo h ALA 21 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xjo h ALA 21 Cb 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xjo h ALA 21 CO -0.01 0.07 -0.08 0.09 0.00 0.00 0.00 179.25 179.32 1xjo n ASN 22 N -4.48 0.14 -2.64 0.00 5.03 0.15 -3.97 115.26 109.49 1xjo n ASN 22 Ca 0.10 0.05 -0.18 0.00 0.87 0.00 0.00 54.58 55.42 1xjo n ASN 22 Cb 0.28 -0.28 0.01 0.00 -1.02 0.00 0.00 39.78 38.77 1xjo n ASN 22 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1xjo n ASN 23 N -1.35 2.85 0.00 6.41 4.13 -0.46 -4.92 115.26 121.92 1xjo n ASN 23 Ca 0.10 -3.18 0.00 0.00 1.68 0.00 0.00 54.58 53.18 1xjo n ASN 23 Cb 0.30 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 38.03 1xjo n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xjo n GLY 24 N -0.21 0.65 0.83 7.41 0.00 -1.20 -3.84 105.19 108.83 1xjo n GLY 24 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1xjo n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xjo n GLY 25 N -2.67 0.66 3.52 -0.02 0.00 0.25 -5.01 105.19 101.93 1xjo n GLY 25 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1xjo n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xjo s ASN 26 N -2.94 0.64 -0.33 1.61 2.20 -1.22 -3.15 114.94 111.75 1xjo s ASN 26 Ca 0.00 -1.36 0.14 0.00 -0.94 0.00 0.00 52.86 50.70 1xjo s ASN 26 Cb 0.00 0.66 0.46 0.00 -2.00 0.00 0.00 41.25 40.37 1xjo s ASN 26 CO 0.00 -1.29 1.07 0.54 -2.94 0.00 0.00 177.10 174.48 1xjo n ARG 27 N -0.52 2.28 -2.58 3.55 1.74 -1.25 -4.20 116.66 115.68 1xjo n ARG 27 Ca -0.00 -3.78 -0.30 0.00 -0.77 0.00 0.00 57.85 53.00 1xjo n ARG 27 Cb 0.62 -1.76 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 1xjo n ARG 27 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xjo s ALA 28 N -3.48 3.28 0.20 7.54 0.00 -1.25 -1.67 121.76 126.37 1xjo s ALA 28 Ca 0.36 -0.19 -0.32 0.00 0.00 0.00 0.00 51.96 51.81 1xjo s ALA 28 Cb 0.40 -2.80 -0.14 0.00 0.00 0.00 0.00 23.12 20.57 1xjo s ALA 28 CO -0.03 -0.22 1.34 1.58 0.00 0.00 0.00 175.76 178.42 1xjo n HIS 29 N -1.77 1.83 -0.94 0.00 -0.00 -1.26 -1.74 115.22 111.33 1xjo n HIS 29 Ca 0.03 0.52 0.00 0.00 0.46 0.00 0.00 57.72 58.73 1xjo n HIS 29 Cb 0.54 -2.40 0.00 0.00 -0.12 0.00 0.00 29.99 28.02 1xjo n HIS 29 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xjo n GLY 30 N 2.26 0.97 3.58 1.57 0.00 -1.26 -5.02 105.19 107.29 1xjo n GLY 30 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1xjo n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xjo s ARG 31 N -0.06 2.09 0.50 1.61 3.00 -0.71 -4.99 118.95 120.37 1xjo s ARG 31 Ca 0.00 -1.35 0.17 0.00 0.00 0.00 0.00 55.73 54.54 1xjo s ARG 31 Cb 0.00 -2.12 1.21 0.00 0.00 0.00 0.00 34.95 34.03 1xjo s ARG 31 CO 0.00 0.41 2.09 -1.00 0.00 0.00 0.00 175.30 176.80 1xjo h PRO 32 N 2.58 0.00 0.00 3.54 0.13 -1.87 -1.71 132.00 134.67 1xjo h PRO 32 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1xjo h PRO 32 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xjo h PRO 32 CO 0.56 0.07 -0.04 0.78 -0.23 0.00 0.00 178.00 179.15 1xjo h GLY 33 N 0.24 0.00 0.44 1.56 0.00 -1.76 -1.55 103.07 101.99 1xjo h GLY 33 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1xjo h GLY 33 CO 0.01 0.00 -0.09 -1.82 0.00 0.00 0.00 176.54 174.64 1xjo h TYR 34 N 0.00 -0.23 -0.81 5.60 3.20 -1.45 -2.61 116.97 120.67 1xjo h TYR 34 Ca -0.00 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.92 1xjo h TYR 34 Cb 0.14 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 1xjo h TYR 34 CO 0.00 0.19 0.53 -0.22 -1.64 0.00 0.00 178.16 177.01 1xjo h LYS 35 N -0.81 0.88 -0.27 1.82 1.63 -1.57 -0.17 116.57 118.08 1xjo h LYS 35 Ca -0.03 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.65 1xjo h LYS 35 Cb 0.52 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 1xjo h LYS 35 CO 0.04 0.58 -0.14 0.00 -3.45 0.00 0.00 179.45 176.49 1xjo h ALA 36 N 1.55 1.28 -0.13 5.00 0.00 -1.33 -0.20 119.26 125.43 1xjo h ALA 36 Ca 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xjo h ALA 36 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xjo h ALA 36 CO -0.12 0.48 0.04 0.77 0.00 0.00 0.00 179.25 180.42 1xjo h SER 37 N 0.42 0.19 -0.66 0.00 0.02 -0.67 -2.03 113.55 110.81 1xjo h SER 37 Ca 0.08 -0.20 0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1xjo h SER 37 Cb 0.49 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 1xjo h SER 37 CO 0.03 0.33 0.38 0.58 -1.14 0.00 0.00 176.83 177.01 1xjo h VAL 38 N 0.03 0.99 -0.82 2.27 2.07 -0.87 -1.82 116.25 118.11 1xjo h VAL 38 Ca 0.04 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1xjo h VAL 38 Cb 0.21 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 1xjo h VAL 38 CO -0.00 0.13 0.53 0.44 0.02 0.00 0.00 177.57 178.69 1xjo h ASP 39 N 0.70 0.89 -0.10 0.57 3.32 -0.84 0.62 116.42 121.58 1xjo h ASP 39 Ca 0.29 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1xjo h ASP 39 Cb 0.15 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1xjo h ASP 39 CO -0.16 0.62 0.03 0.22 -1.72 0.00 0.00 179.24 178.23 1xjo h TYR 40 N 1.04 0.17 -0.53 4.55 3.20 -0.88 -1.99 116.97 122.54 1xjo h TYR 40 Ca 0.32 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.13 1xjo h TYR 40 Cb -0.03 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1xjo h TYR 40 CO -0.02 0.30 0.18 0.28 -1.64 0.00 0.00 178.16 177.26 1xjo h VAL 41 N -0.02 1.23 -0.79 1.81 2.07 -1.10 -2.48 116.25 116.97 1xjo h VAL 41 Ca 0.03 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1xjo h VAL 41 Cb 0.21 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1xjo h VAL 41 CO -0.00 0.28 0.51 0.50 0.02 0.00 0.00 177.57 178.87 1xjo h LYS 42 N 0.73 1.06 -0.72 1.57 3.64 -0.82 -2.03 116.57 119.99 1xjo h LYS 42 Ca 0.17 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1xjo h LYS 42 Cb 0.25 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1xjo h LYS 42 CO -0.01 0.72 0.36 0.00 -2.27 0.00 0.00 179.45 178.25 1xjo h ALA 43 N 1.28 0.93 -0.44 5.00 0.00 -1.20 -0.57 119.26 124.27 1xjo h ALA 43 Ca 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1xjo h ALA 43 Cb -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1xjo h ALA 43 CO -0.06 0.48 0.19 0.87 0.00 0.00 0.00 179.25 180.73 1xjo h LYS 44 N 1.01 0.64 -0.54 0.00 1.79 -0.99 -2.58 116.57 115.91 1xjo h LYS 44 Ca 0.25 -0.11 -0.09 0.00 -2.18 0.00 0.00 60.65 58.52 1xjo h LYS 44 Cb 0.10 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 1xjo h LYS 44 CO -0.03 0.58 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.82 1xjo h LEU 45 N 0.56 0.95 -0.78 2.94 3.38 -1.04 -2.83 115.31 118.50 1xjo h LEU 45 Ca 0.15 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1xjo h LEU 45 Cb 0.17 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1xjo h LEU 45 CO -0.01 1.04 0.42 0.44 0.09 0.00 0.00 178.44 180.41 1xjo h ASP 46 N 0.84 0.98 0.25 -0.43 3.32 -1.07 -0.78 116.42 119.53 1xjo h ASP 46 Ca 0.15 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1xjo h ASP 46 Cb 0.57 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1xjo h ASP 46 CO 0.03 0.81 -0.15 0.00 -1.72 0.00 0.00 179.24 178.21 1xjo h ALA 47 N 1.22 1.50 -0.00 3.45 0.00 -1.39 -2.42 119.26 121.61 1xjo h ALA 47 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xjo h ALA 47 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xjo h ALA 47 CO -0.04 0.18 -0.11 0.00 0.00 0.00 0.00 179.25 179.28 1xjo n ALA 48 N -2.40 2.78 0.00 0.00 0.00 -0.37 -4.92 120.51 115.61 1xjo n ALA 48 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1xjo n ALA 48 Cb 0.23 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1xjo n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjo n GLY 49 N 1.27 0.78 3.85 0.00 0.00 -0.91 -4.87 105.19 105.30 1xjo n GLY 49 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1xjo n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xjo s TYR 50 N -2.00 3.29 -0.28 1.61 1.51 -0.78 -4.73 117.35 115.97 1xjo s TYR 50 Ca 0.00 1.23 -0.15 0.00 -1.01 0.00 0.00 57.07 57.15 1xjo s TYR 50 Cb 0.00 -2.92 -0.03 0.00 -0.11 0.00 0.00 41.96 38.89 1xjo s TYR 50 CO 0.00 -1.14 0.35 0.99 -1.11 0.00 0.00 175.55 174.65 1xjo s THR 51 N -3.19 5.19 0.02 -0.71 2.01 -0.51 -4.60 115.64 113.83 1xjo s THR 51 Ca 0.58 0.45 0.03 0.00 0.31 0.00 0.00 61.69 63.05 1xjo s THR 51 Cb -0.12 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1xjo s THR 51 CO 0.54 0.13 -0.03 0.42 -0.69 0.00 0.00 174.62 174.98 1xjo s THR 52 N 2.04 3.90 -0.04 -0.82 -4.23 -1.26 -0.79 115.64 114.43 1xjo s THR 52 Ca 0.14 -0.76 0.02 0.00 -1.18 0.00 0.00 61.69 59.92 1xjo s THR 52 Cb -0.16 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 70.95 1xjo s THR 52 CO 0.10 0.34 -0.10 -0.89 -0.54 0.00 0.00 174.62 173.53 1xjo s THR 53 N -1.09 0.92 -0.28 3.99 2.01 0.28 -4.99 115.64 116.48 1xjo s THR 53 Ca 0.19 -0.40 -0.12 0.00 0.31 0.00 0.00 61.69 61.68 1xjo s THR 53 Cb -0.11 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 1xjo s THR 53 CO 0.10 0.29 0.22 -0.22 -0.69 0.00 0.00 174.62 174.33 1xjo s LEU 54 N 0.42 4.03 -0.22 4.42 2.96 -1.26 -0.69 118.68 128.33 1xjo s LEU 54 Ca -0.08 0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 1xjo s LEU 54 Cb -0.12 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 1xjo s LEU 54 CO 0.02 -0.07 0.04 -1.58 -1.32 0.00 0.00 176.35 173.44 1xjo s GLN 55 N 1.78 3.67 0.06 1.98 0.74 -0.25 -4.94 119.66 122.70 1xjo s GLN 55 Ca 0.08 -0.48 0.02 0.00 0.05 0.00 0.00 55.36 55.03 1xjo s GLN 55 Cb -0.16 -3.22 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 1xjo s GLN 55 CO 0.11 -0.07 0.10 -1.14 -0.55 0.00 0.00 175.29 173.73 1xjo s GLN 56 N 1.27 3.01 0.24 1.67 0.74 -1.26 -0.44 119.66 124.88 1xjo s GLN 56 Ca 0.04 -0.61 -0.12 0.00 0.05 0.00 0.00 55.36 54.73 1xjo s GLN 56 Cb -0.15 -2.80 -0.01 0.00 1.10 0.00 0.00 33.01 31.15 1xjo s GLN 56 CO 0.03 0.59 0.44 -0.59 -0.55 0.00 0.00 175.29 175.21 1xjo s PHE 57 N -1.36 0.42 -0.07 1.67 -0.71 -0.35 -4.98 117.98 112.59 1xjo s PHE 57 Ca 0.29 -0.77 0.04 0.00 -1.04 0.00 0.00 56.93 55.45 1xjo s PHE 57 Cb -0.12 0.13 0.00 0.00 -1.21 0.00 0.00 43.02 41.81 1xjo s PHE 57 CO 0.21 -0.95 -0.20 0.99 -1.34 0.00 0.00 175.22 173.92 1xjo s THR 58 N -4.02 1.72 -0.09 -4.49 2.01 -1.26 -0.38 115.64 109.12 1xjo s THR 58 Ca 0.23 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.33 1xjo s THR 58 Cb 0.00 -1.49 0.04 0.00 0.01 0.00 0.00 72.50 71.06 1xjo s THR 58 CO 0.09 0.48 0.23 -0.55 -0.69 0.00 0.00 174.62 174.18 1xjo s SER 59 N 0.26 -0.24 -1.45 3.53 0.15 0.21 -4.84 113.70 111.32 1xjo s SER 59 Ca -0.12 0.47 -0.07 0.00 0.70 0.00 0.00 55.95 56.93 1xjo s SER 59 Cb -0.15 0.41 0.05 0.00 -1.71 0.00 0.00 66.02 64.62 1xjo s SER 59 CO 0.05 -0.13 0.77 0.61 1.20 0.00 0.00 173.24 175.75 1xjo n GLY 60 N 3.71 -0.37 3.29 9.45 0.00 -1.26 -0.57 105.19 119.43 1xjo n GLY 60 Ca -0.20 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1xjo n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xjo n GLY 61 N -1.68 1.36 3.28 -0.02 0.00 -1.26 -4.98 105.19 101.90 1xjo n GLY 61 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 1xjo n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjo s ALA 62 N -3.08 1.70 0.19 4.61 0.00 0.26 -5.12 121.76 120.32 1xjo s ALA 62 Ca 0.00 -1.42 -0.30 0.00 0.00 0.00 0.00 51.96 50.25 1xjo s ALA 62 Cb 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.95 1xjo s ALA 62 CO 0.00 0.11 1.06 0.99 0.00 0.00 0.00 175.76 177.92 1xjo s THR 63 N -2.35 3.93 0.36 0.00 2.01 -1.26 -0.62 115.64 117.72 1xjo s THR 63 Ca 0.13 1.73 0.04 0.00 0.31 0.00 0.00 61.69 63.90 1xjo s THR 63 Cb -0.04 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 1xjo s THR 63 CO 0.04 0.32 0.08 -0.83 -0.69 0.00 0.00 174.62 173.55 1xjo s GLY 64 N -0.34 2.31 0.00 4.40 0.00 0.49 -4.23 107.32 109.95 1xjo s GLY 64 Ca 0.47 -1.66 -0.06 0.00 0.00 0.00 0.00 44.72 43.47 1xjo s GLY 64 CO 0.35 -1.84 0.10 -0.19 0.00 0.00 0.00 173.10 171.52 1xjo s TYR 65 N -3.26 0.07 0.05 1.90 1.51 -1.26 -1.21 117.35 115.16 1xjo s TYR 65 Ca 0.30 -0.17 0.06 0.00 -1.01 0.00 0.00 57.07 56.25 1xjo s TYR 65 Cb 0.06 -0.07 -0.04 0.00 -0.11 0.00 0.00 41.96 41.81 1xjo s TYR 65 CO 0.14 -0.25 -0.11 -0.80 -1.11 0.00 0.00 175.55 173.42 1xjo s ASN 66 N -1.29 4.31 -0.18 2.29 0.01 0.42 -2.49 114.94 118.01 1xjo s ASN 66 Ca -0.14 -0.32 -0.00 0.00 -0.71 0.00 0.00 52.86 51.69 1xjo s ASN 66 Cb -0.08 -0.86 0.01 0.00 0.41 0.00 0.00 41.25 40.73 1xjo s ASN 66 CO 0.01 0.23 -0.15 -0.22 -1.51 0.00 0.00 177.10 175.46 1xjo s LEU 67 N -1.73 2.41 -0.12 0.60 2.96 -0.04 -1.09 118.68 121.67 1xjo s LEU 67 Ca 0.18 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 1xjo s LEU 67 Cb -0.11 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 1xjo s LEU 67 CO 0.09 0.03 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.40 1xjo s ILE 68 N 1.15 3.17 -0.08 6.68 -1.09 0.14 -0.46 121.20 130.70 1xjo s ILE 68 Ca 0.01 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 57.81 1xjo s ILE 68 Cb -0.14 -2.32 0.02 0.00 -1.58 0.00 0.00 42.46 38.44 1xjo s ILE 68 CO -0.06 0.53 -0.10 0.00 -1.23 0.00 0.00 174.94 174.08 1xjo s ALA 69 N 0.14 1.26 -0.12 9.38 0.00 0.70 -0.56 121.76 132.55 1xjo s ALA 69 Ca -0.06 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 1xjo s ALA 69 Cb -0.15 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 1xjo s ALA 69 CO 0.04 -0.11 -0.07 -0.80 0.00 0.00 0.00 175.76 174.82 1xjo s ASN 70 N 1.11 4.55 -0.38 0.00 0.01 0.03 -0.27 114.94 119.99 1xjo s ASN 70 Ca -0.06 -0.15 -0.19 0.00 -0.71 0.00 0.00 52.86 51.74 1xjo s ASN 70 Cb -0.14 -1.56 0.01 0.00 0.41 0.00 0.00 41.25 39.96 1xjo s ASN 70 CO -0.01 0.22 0.58 0.86 -1.51 0.00 0.00 177.10 177.24 1xjo s TRP 71 N 0.03 3.14 0.26 2.20 -0.00 -0.55 -1.43 118.94 122.59 1xjo s TRP 71 Ca -0.01 0.13 -0.30 0.00 -0.00 0.00 0.00 56.10 55.91 1xjo s TRP 71 Cb -0.14 -3.10 -0.13 0.00 -0.00 0.00 0.00 33.47 30.10 1xjo s TRP 71 CO 0.03 -0.67 1.32 -2.30 -0.00 0.00 0.00 176.95 175.34 1xjo n PRO 72 N 5.96 1.91 0.00 5.86 -0.02 -1.26 -4.33 135.00 143.12 1xjo n PRO 72 Ca -0.03 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1xjo n PRO 72 Cb 0.48 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1xjo n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xjo n GLY 73 N 1.75 0.96 0.34 -1.23 0.00 -1.26 -5.00 105.19 100.75 1xjo n GLY 73 Ca 0.10 -2.28 0.04 0.00 0.00 0.00 0.00 46.02 43.88 1xjo n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xjo n GLY 74 N -0.82 -2.23 3.65 -0.02 0.00 -1.25 -4.43 105.19 100.09 1xjo n GLY 74 Ca 0.00 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 1xjo n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xjo s ASP 75 N -5.41 6.71 0.47 1.61 -1.08 0.11 -4.56 116.67 114.52 1xjo s ASP 75 Ca 0.00 1.81 0.32 0.00 -0.52 0.00 0.00 52.55 54.16 1xjo s ASP 75 Cb 0.00 -2.54 1.46 0.00 -1.46 0.00 0.00 42.92 40.38 1xjo s ASP 75 CO 0.00 -0.95 1.95 1.55 0.52 0.00 0.00 175.17 178.25 1xjo h PRO 76 N 9.26 0.00 -0.07 4.34 0.13 -1.89 -2.29 132.00 141.47 1xjo h PRO 76 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1xjo h PRO 76 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1xjo h PRO 76 CO 0.98 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.84 1xjo n ASN 77 N -2.76 2.15 -3.51 1.44 3.02 -1.26 -4.60 115.26 109.74 1xjo n ASN 77 Ca 0.00 -1.72 -0.25 0.00 -0.03 0.00 0.00 54.58 52.58 1xjo n ASN 77 Cb 0.20 -0.04 -0.14 0.00 -0.61 0.00 0.00 39.78 39.20 1xjo n ASN 77 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xjo s LYS 78 N -1.93 0.21 -0.14 3.52 1.02 -0.88 -4.63 119.74 116.91 1xjo s LYS 78 Ca 0.34 -0.33 -0.03 0.00 0.02 0.00 0.00 55.97 55.98 1xjo s LYS 78 Cb 0.20 -1.12 -0.03 0.00 -0.52 0.00 0.00 37.83 36.36 1xjo s LYS 78 CO 0.31 -0.95 -0.05 0.08 -0.92 0.00 0.00 175.35 173.81 1xjo s VAL 79 N 2.18 3.75 -0.19 3.17 1.01 -0.05 -0.80 120.40 129.47 1xjo s VAL 79 Ca 0.08 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 1xjo s VAL 79 Cb -0.15 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1xjo s VAL 79 CO -0.31 0.51 0.03 -0.22 0.00 0.00 0.00 175.10 175.11 1xjo s LEU 80 N 0.25 3.51 0.12 3.92 2.96 0.16 0.68 118.68 130.29 1xjo s LEU 80 Ca -0.04 -0.07 0.09 0.00 -0.22 0.00 0.00 54.13 53.89 1xjo s LEU 80 Cb -0.14 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 1xjo s LEU 80 CO 0.03 0.12 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.94 1xjo s MET 81 N 0.70 1.70 -0.00 1.98 -1.94 -0.45 -1.82 119.30 119.48 1xjo s MET 81 Ca 0.01 -1.23 0.02 0.00 -1.71 0.00 0.00 55.69 52.78 1xjo s MET 81 Cb -0.14 -2.06 -0.00 0.00 2.01 0.00 0.00 34.83 34.64 1xjo s MET 81 CO 0.02 0.47 -0.05 0.00 -0.01 0.00 0.00 175.02 175.45 1xjo s ALA 82 N -1.16 0.45 0.29 3.03 0.00 -0.86 -0.24 121.76 123.28 1xjo s ALA 82 Ca 0.17 -0.25 -0.11 0.00 0.00 0.00 0.00 51.96 51.77 1xjo s ALA 82 Cb -0.10 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1xjo s ALA 82 CO 0.09 0.10 0.53 0.20 0.00 0.00 0.00 175.76 176.69 1xjo s GLY 83 N -0.17 0.70 -0.22 0.00 0.00 -0.04 -0.96 107.32 106.63 1xjo s GLY 83 Ca 0.02 -0.98 -0.27 0.00 0.00 0.00 0.00 44.72 43.49 1xjo s GLY 83 CO -0.00 -0.64 0.83 0.00 0.00 0.00 0.00 173.10 173.28 1xjo s ALA 84 N -3.57 -1.85 0.21 3.20 0.00 -0.95 -1.61 121.76 117.19 1xjo s ALA 84 Ca 0.23 1.82 -0.27 0.00 0.00 0.00 0.00 51.96 53.74 1xjo s ALA 84 Cb -0.01 -1.00 -0.08 0.00 0.00 0.00 0.00 23.12 22.02 1xjo s ALA 84 CO 0.12 -0.31 0.85 -3.38 0.00 0.00 0.00 175.76 173.04 1xjo s HIS 85 N -0.08 3.93 -1.02 0.00 -3.43 -1.26 -1.54 115.29 111.88 1xjo s HIS 85 Ca -0.01 1.75 0.22 0.00 -0.80 0.00 0.00 55.06 56.22 1xjo s HIS 85 Cb -0.04 -2.86 0.00 0.00 -1.43 0.00 0.00 32.58 28.26 1xjo s HIS 85 CO 0.01 0.48 1.06 -0.11 -2.00 0.00 0.00 174.74 174.18 1xjo n LEU 86 N 1.48 0.87 -4.89 5.38 7.94 0.67 -4.50 117.00 123.94 1xjo n LEU 86 Ca -0.04 -0.35 -0.29 0.00 -1.11 0.00 0.00 56.01 54.22 1xjo n LEU 86 Cb 0.48 -0.08 -0.01 0.00 0.53 0.00 0.00 43.42 44.35 1xjo n LEU 86 CO 0.48 0.21 0.51 1.51 -1.11 0.00 0.00 177.39 178.99 1xjo s ASP 87 N -2.99 6.34 0.45 1.96 -4.77 -1.24 -4.90 116.67 111.51 1xjo s ASP 87 Ca 0.09 1.12 0.06 0.00 -3.30 0.00 0.00 52.55 50.52 1xjo s ASP 87 Cb 0.17 -2.33 -0.04 0.00 -1.09 0.00 0.00 42.92 39.63 1xjo s ASP 87 CO 0.81 -0.59 0.14 -0.94 0.70 0.00 0.00 175.17 175.29 1xjo s SER 88 N -3.81 4.28 0.80 2.11 1.04 -0.67 -4.23 113.70 113.22 1xjo s SER 88 Ca 0.51 -1.26 -0.12 0.00 0.48 0.00 0.00 55.95 55.55 1xjo s SER 88 Cb -0.10 -0.17 0.07 0.00 0.10 0.00 0.00 66.02 65.91 1xjo s SER 88 CO 0.42 -0.65 1.12 0.68 0.98 0.00 0.00 173.24 175.80 1xjo s VAL 89 N -2.69 2.77 -2.10 5.02 -7.23 -1.26 -3.94 120.40 110.97 1xjo s VAL 89 Ca 0.33 0.25 0.31 0.00 -1.81 0.00 0.00 61.98 61.05 1xjo s VAL 89 Cb 0.04 -3.11 0.78 0.00 0.56 0.00 0.00 36.38 34.65 1xjo s VAL 89 CO 0.18 -0.33 2.08 -1.54 -0.31 0.00 0.00 175.10 175.18 1xjo n SER 90 N -3.36 0.42 0.09 4.85 3.41 -1.26 -3.50 113.62 114.27 1xjo n SER 90 Ca 0.07 -1.08 0.12 0.00 -0.26 0.00 0.00 58.87 57.72 1xjo n SER 90 Cb 0.58 -0.01 0.46 0.00 -0.26 0.00 0.00 64.21 64.97 1xjo n SER 90 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xjo n SER 91 N -0.70 0.56 -0.89 4.04 7.64 -1.26 -4.78 113.62 118.23 1xjo n SER 91 Ca 0.22 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.68 1xjo n SER 91 Cb 0.19 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1xjo n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xjo n GLY 92 N 0.80 0.90 0.17 0.23 0.00 -1.23 -3.64 105.19 102.42 1xjo n GLY 92 Ca 0.05 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.36 1xjo n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjo h ALA 93 N 2.00 1.00 -5.64 4.61 0.00 -1.69 -3.33 119.26 116.21 1xjo h ALA 93 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 1xjo h ALA 93 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 17.79 17.96 1xjo h ALA 93 CO 0.00 0.00 -0.78 0.41 0.00 0.00 0.00 179.25 178.88 1xjo n GLY 94 N 0.65 -0.41 0.12 0.00 0.00 -1.16 -4.60 105.19 99.80 1xjo n GLY 94 Ca 0.03 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 1xjo n GLY 94 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xjo h ILE 95 N -1.85 0.96 -0.16 -0.61 1.08 -1.67 -1.38 117.51 113.88 1xjo h ILE 95 Ca -0.59 -1.17 -0.20 0.00 -0.39 0.00 0.00 64.86 62.51 1xjo h ILE 95 Cb 1.34 1.60 0.01 0.00 -3.07 0.00 0.00 36.82 36.70 1xjo h ILE 95 CO 0.50 0.24 -0.67 -1.13 -0.69 0.00 0.00 178.15 176.40 1xjo h ASN 96 N -0.81 0.87 -3.99 1.72 -1.24 -1.81 0.20 115.58 110.52 1xjo h ASN 96 Ca -0.02 -0.61 -0.66 0.00 0.71 0.00 0.00 56.30 55.71 1xjo h ASN 96 Cb 0.54 -0.26 -0.39 0.00 0.73 0.00 0.00 38.32 38.95 1xjo h ASN 96 CO 0.03 1.34 -0.60 -0.62 -1.29 0.00 0.00 177.43 176.29 1xjo s ASP 97 N -6.97 4.76 -0.32 1.15 2.15 -1.24 -3.58 116.67 112.62 1xjo s ASP 97 Ca -0.11 -2.58 0.18 0.00 0.43 0.00 0.00 52.55 50.47 1xjo s ASP 97 Cb 0.08 -1.70 0.46 0.00 -0.30 0.00 0.00 42.92 41.45 1xjo s ASP 97 CO 0.88 -0.35 0.98 -3.20 -0.17 0.00 0.00 175.17 173.32 1xjo n ASN 98 N 3.75 1.24 0.06 -0.34 4.05 -0.92 -4.31 115.26 118.78 1xjo n ASN 98 Ca 0.04 -2.66 0.02 0.00 0.45 0.00 0.00 54.58 52.42 1xjo n ASN 98 Cb 0.38 -0.43 0.36 0.00 1.23 0.00 0.00 39.78 41.31 1xjo n ASN 98 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 1xjo h GLY 99 N 2.92 0.42 0.72 8.20 0.00 -0.35 -1.12 103.07 113.87 1xjo h GLY 99 Ca -0.11 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 46.98 1xjo h GLY 99 CO 0.45 0.22 -0.22 1.48 0.00 0.00 0.00 176.54 178.48 1xjo h SER 100 N 0.38 -0.58 -0.35 0.19 4.64 -0.70 0.28 113.55 117.40 1xjo h SER 100 Ca 0.08 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1xjo h SER 100 Cb 0.29 0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 1xjo h SER 100 CO 0.01 -0.32 0.16 1.23 -0.87 0.00 0.00 176.83 177.05 1xjo h GLY 101 N -0.45 0.55 0.93 -0.77 0.00 -1.75 -1.81 103.07 99.76 1xjo h GLY 101 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.08 1xjo h GLY 101 CO -0.07 0.26 0.48 1.76 0.00 0.00 0.00 176.54 178.97 1xjo h SER 102 N 0.43 0.80 0.13 0.19 0.02 -0.78 -0.96 113.55 113.39 1xjo h SER 102 Ca 0.12 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.91 1xjo h SER 102 Cb 0.13 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1xjo h SER 102 CO -0.01 0.57 -0.54 0.00 -1.14 0.00 0.00 176.83 175.70 1xjo h ALA 103 N 1.29 0.78 -0.50 3.77 0.00 -0.35 -1.20 119.26 123.06 1xjo h ALA 103 Ca 0.28 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1xjo h ALA 103 Cb -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1xjo h ALA 103 CO -0.09 0.69 0.03 0.00 0.00 0.00 0.00 179.25 179.88 1xjo h ALA 104 N 1.07 0.67 -0.38 0.00 0.00 -1.01 0.14 119.26 119.74 1xjo h ALA 104 Ca 0.01 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1xjo h ALA 104 Cb 1.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1xjo h ALA 104 CO 0.10 0.45 -0.28 0.28 0.00 0.00 0.00 179.25 179.79 1xjo h VAL 105 N 0.73 1.28 -0.32 0.00 2.07 -1.11 -1.33 116.25 117.56 1xjo h VAL 105 Ca 0.15 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 1xjo h VAL 105 Cb 0.47 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1xjo h VAL 105 CO 0.02 0.47 0.11 0.25 0.02 0.00 0.00 177.57 178.45 1xjo h LEU 106 N 0.69 0.46 -1.21 2.57 5.85 -0.95 -1.24 115.31 121.49 1xjo h LEU 106 Ca 0.08 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 1xjo h LEU 106 Cb 0.82 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1xjo h LEU 106 CO 0.07 0.52 -0.31 -0.08 -0.34 0.00 0.00 178.44 178.30 1xjo h GLU 107 N 0.36 0.14 -0.50 1.25 4.57 -0.59 -0.34 114.58 119.48 1xjo h GLU 107 Ca 0.10 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1xjo h GLU 107 Cb 0.22 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1xjo h GLU 107 CO -0.01 0.45 0.05 1.15 -1.18 0.00 0.00 179.01 179.47 1xjo h THR 108 N 0.13 1.26 -0.81 0.32 2.02 -0.99 0.12 112.91 114.95 1xjo h THR 108 Ca 0.02 -1.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.19 1xjo h THR 108 Cb 0.62 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 1xjo h THR 108 CO 0.04 0.36 0.49 0.00 0.37 0.00 0.00 175.52 176.79 1xjo h ALA 109 N 0.96 1.04 -0.18 6.16 0.00 -0.72 -1.45 119.26 125.06 1xjo h ALA 109 Ca 0.15 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1xjo h ALA 109 Cb 0.45 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1xjo h ALA 109 CO 0.02 0.50 -0.45 -0.07 0.00 0.00 0.00 179.25 179.25 1xjo h LEU 110 N 1.12 0.49 -1.20 0.00 3.38 -0.76 -2.68 115.31 115.66 1xjo h LEU 110 Ca 0.29 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1xjo h LEU 110 Cb -0.05 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1xjo h LEU 110 CO -0.06 0.87 0.55 0.00 0.09 0.00 0.00 178.44 179.89 1xjo h ALA 111 N 1.15 1.46 -0.32 1.53 0.00 -0.05 -1.21 119.26 121.81 1xjo h ALA 111 Ca 0.03 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1xjo h ALA 111 Cb 0.93 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1xjo h ALA 111 CO 0.08 0.48 0.11 0.28 0.00 0.00 0.00 179.25 180.19 1xjo h VAL 112 N 1.07 0.91 -0.33 0.00 2.07 -0.95 -1.36 116.25 117.65 1xjo h VAL 112 Ca 0.32 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.68 1xjo h VAL 112 Cb -0.03 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1xjo h VAL 112 CO -0.08 0.04 -0.10 -1.28 0.02 0.00 0.00 177.57 176.17 1xjo h SER 113 N 0.24 0.66 -0.14 0.57 0.87 -1.35 -2.02 113.55 112.39 1xjo h SER 113 Ca 0.14 -0.37 -0.04 0.00 -1.23 0.00 0.00 61.79 60.29 1xjo h SER 113 Cb 0.12 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1xjo h SER 113 CO -0.15 0.88 -0.01 -0.09 -0.53 0.00 0.00 176.83 176.93 1xjo h ARG 114 N 0.43 0.37 0.00 2.24 2.43 -1.05 -2.59 114.38 116.21 1xjo h ARG 114 Ca 0.08 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1xjo h ARG 114 Cb 0.60 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1xjo h ARG 114 CO 0.04 0.41 -0.10 0.00 -1.51 0.00 0.00 179.97 178.80 1xjo h ALA 115 N 1.64 0.94 -3.34 2.80 0.00 -1.12 -3.47 119.26 116.71 1xjo h ALA 115 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 1xjo h ALA 115 Cb 0.26 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.11 1xjo h ALA 115 CO 0.01 0.00 -0.38 0.41 0.00 0.00 0.00 179.25 179.29 1xjo n GLY 116 N 1.24 0.02 3.73 0.00 0.00 -0.87 -4.94 105.19 104.36 1xjo n GLY 116 Ca 0.05 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1xjo n GLY 116 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xjo s TYR 117 N -3.05 3.44 -0.62 1.61 5.04 -0.82 -4.99 117.35 117.96 1xjo s TYR 117 Ca 0.26 1.37 0.03 0.00 -2.44 0.00 0.00 57.07 56.29 1xjo s TYR 117 Cb -0.12 -3.43 0.15 0.00 0.35 0.00 0.00 41.96 38.92 1xjo s TYR 117 CO 0.32 -1.24 0.39 -1.14 -1.34 0.00 0.00 175.55 172.54 1xjo s GLN 118 N 0.32 2.28 0.81 4.97 0.74 -1.26 -4.92 119.66 122.61 1xjo s GLN 118 Ca 0.55 -2.91 -0.11 0.00 0.05 0.00 0.00 55.36 52.94 1xjo s GLN 118 Cb -0.31 -3.43 0.08 0.00 1.10 0.00 0.00 33.01 30.44 1xjo s GLN 118 CO 0.33 -1.19 1.09 -1.25 -0.55 0.00 0.00 175.29 173.73 1xjo s PRO 119 N -0.75 1.97 -0.04 1.67 0.04 -1.26 -4.98 135.00 131.65 1xjo s PRO 119 Ca 0.20 0.71 -0.24 0.00 0.04 0.00 0.00 61.00 61.72 1xjo s PRO 119 Cb -0.17 -1.90 -0.24 0.00 0.04 0.00 0.00 34.50 32.23 1xjo s PRO 119 CO -0.07 -1.72 1.03 -0.44 0.04 0.00 0.00 177.00 175.84 1xjo h ASP 120 N -1.16 0.28 -3.69 6.66 3.32 -1.79 -3.33 116.42 116.72 1xjo h ASP 120 Ca -0.47 -0.79 -0.50 0.00 0.02 0.00 0.00 57.03 55.29 1xjo h ASP 120 Cb 1.27 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 1xjo h ASP 120 CO 0.58 1.03 0.23 -0.54 -1.72 0.00 0.00 179.24 178.82 1xjo s LYS 121 N -3.09 4.49 0.24 3.56 1.02 -0.22 0.09 119.74 125.83 1xjo s LYS 121 Ca -0.15 1.15 -0.30 0.00 0.02 0.00 0.00 55.97 56.69 1xjo s LYS 121 Cb 0.01 -2.97 -0.09 0.00 -0.52 0.00 0.00 37.83 34.27 1xjo s LYS 121 CO 0.76 0.40 1.25 -1.58 -0.92 0.00 0.00 175.35 175.26 1xjo s HIS 122 N -1.45 3.31 -0.14 3.18 5.65 0.02 -4.52 115.29 121.34 1xjo s HIS 122 Ca 0.44 1.39 -0.10 0.00 0.25 0.00 0.00 55.06 57.04 1xjo s HIS 122 Cb -0.19 -3.52 -0.05 0.00 -1.18 0.00 0.00 32.58 27.64 1xjo s HIS 122 CO 0.24 -1.49 0.18 -0.51 -0.65 0.00 0.00 174.74 172.52 1xjo s LEU 123 N -0.72 4.32 -0.03 8.88 1.43 -1.26 -0.67 118.68 130.63 1xjo s LEU 123 Ca 0.52 0.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.08 1xjo s LEU 123 Cb -0.35 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 43.72 1xjo s LEU 123 CO 0.41 0.29 -0.04 -0.60 0.23 0.00 0.00 176.35 176.64 1xjo s ARG 124 N -0.39 0.66 0.12 1.70 3.52 -0.75 -1.48 118.95 122.32 1xjo s ARG 124 Ca 0.14 -0.08 0.09 0.00 -0.13 0.00 0.00 55.73 55.75 1xjo s ARG 124 Cb -0.12 -0.70 -0.04 0.00 -1.56 0.00 0.00 34.95 32.53 1xjo s ARG 124 CO 0.03 -0.06 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.22 1xjo s PHE 125 N 0.77 2.52 0.01 5.12 0.08 0.63 -2.02 117.98 125.08 1xjo s PHE 125 Ca -0.10 -0.27 -0.03 0.00 0.12 0.00 0.00 56.93 56.65 1xjo s PHE 125 Cb -0.13 -1.33 -0.01 0.00 -0.57 0.00 0.00 43.02 40.98 1xjo s PHE 125 CO -0.00 0.39 0.05 0.00 -0.10 0.00 0.00 175.22 175.56 1xjo s ALA 126 N -1.16 -0.10 -0.19 5.36 0.00 -0.14 -0.22 121.76 125.32 1xjo s ALA 126 Ca 0.18 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1xjo s ALA 126 Cb -0.10 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.17 1xjo s ALA 126 CO 0.10 -0.18 -0.14 -1.58 0.00 0.00 0.00 175.76 173.97 1xjo s TRP 127 N -1.35 2.59 0.09 0.00 0.51 0.39 -2.25 118.94 118.92 1xjo s TRP 127 Ca -0.15 -1.65 -0.14 0.00 -2.12 0.00 0.00 56.10 52.05 1xjo s TRP 127 Cb -0.08 -1.75 -0.06 0.00 -0.81 0.00 0.00 33.47 30.77 1xjo s TRP 127 CO 0.00 -0.77 0.49 -1.58 -0.51 0.00 0.00 176.95 174.58 1xjo s TRP 128 N 1.34 3.65 0.44 -1.98 0.52 -0.59 -0.86 118.94 121.46 1xjo s TRP 128 Ca 0.00 1.00 0.05 0.00 0.02 0.00 0.00 56.10 57.17 1xjo s TRP 128 Cb -0.15 -2.32 0.01 0.00 -1.15 0.00 0.00 33.47 29.86 1xjo s TRP 128 CO -0.09 0.51 0.62 0.20 0.02 0.00 0.00 176.95 178.20 1xjo s GLY 129 N -1.54 1.76 -1.05 0.98 0.00 -1.04 -0.24 107.32 106.20 1xjo s GLY 129 Ca 0.33 -1.42 -0.04 0.00 0.00 0.00 0.00 44.72 43.58 1xjo s GLY 129 CO 0.18 -1.24 0.23 0.00 0.00 0.00 0.00 173.10 172.26 1xjo n ALA 130 N -1.97 -0.93 0.11 3.20 0.00 -1.26 -2.13 120.51 117.53 1xjo n ALA 130 Ca 0.05 0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.59 1xjo n ALA 130 Cb 0.59 -1.99 0.37 0.00 0.00 0.00 0.00 19.45 18.41 1xjo n ALA 130 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xjo h GLU 131 N -0.45 0.25 0.00 0.00 4.22 -1.91 -2.12 114.58 114.56 1xjo h GLU 131 Ca -0.33 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.05 1xjo h GLU 131 Cb 1.23 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1xjo h GLU 131 CO 0.40 0.41 0.00 0.39 -2.18 0.00 0.00 179.01 178.03 1xjo n GLU 132 N -4.24 0.06 -0.05 1.92 -0.58 -1.26 -1.22 120.64 115.27 1xjo n GLU 132 Ca -0.01 0.24 0.12 0.00 -0.42 0.00 0.00 57.16 57.10 1xjo n GLU 132 Cb 0.29 -1.60 0.36 0.00 -0.57 0.00 0.00 31.44 29.92 1xjo n GLU 132 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1xjo n LEU 133 N -1.71 2.08 0.00 -4.62 4.32 -0.94 -4.89 117.00 111.25 1xjo n LEU 133 Ca 0.04 -0.77 0.00 0.00 -0.02 0.00 0.00 56.01 55.26 1xjo n LEU 133 Cb 0.23 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1xjo n LEU 133 CO 0.18 0.39 0.00 0.61 -1.22 0.00 0.00 177.39 177.35 1xjo n GLY 134 N 1.24 0.97 3.33 -0.72 0.00 -0.65 -4.73 105.19 104.63 1xjo n GLY 134 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1xjo n GLY 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xjo n LEU 135 N 0.00 -2.80 -0.16 0.99 4.77 -0.35 -4.89 117.00 114.56 1xjo n LEU 135 Ca 0.00 -0.43 -0.08 0.00 -0.03 0.00 0.00 56.01 55.47 1xjo n LEU 135 Cb 0.00 -2.88 0.01 0.00 -2.33 0.00 0.00 43.42 38.22 1xjo n LEU 135 CO 0.00 0.39 0.96 0.40 -1.33 0.00 0.00 177.39 177.80 1xjo h ILE 136 N -1.85 1.20 -0.41 -0.08 1.08 -1.63 -1.61 117.51 114.22 1xjo h ILE 136 Ca -0.54 -0.60 -0.05 0.00 -0.39 0.00 0.00 64.86 63.28 1xjo h ILE 136 Cb 1.36 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 35.81 1xjo h ILE 136 CO 0.58 0.23 0.06 1.23 -0.69 0.00 0.00 178.15 179.55 1xjo h GLY 137 N 0.63 0.73 1.66 5.37 0.00 -1.59 -0.58 103.07 109.28 1xjo h GLY 137 Ca 0.16 -0.50 -0.17 0.00 0.00 0.00 0.00 47.33 46.83 1xjo h GLY 137 CO -0.02 0.46 -0.66 1.48 0.00 0.00 0.00 176.54 177.80 1xjo h SER 138 N 0.53 0.39 -0.59 0.19 4.64 -1.77 -1.02 113.55 115.92 1xjo h SER 138 Ca 0.12 -0.24 -0.08 0.00 -0.47 0.00 0.00 61.79 61.12 1xjo h SER 138 Cb 0.39 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1xjo h SER 138 CO 0.01 0.94 0.06 0.11 -0.87 0.00 0.00 176.83 177.08 1xjo h LYS 139 N 0.24 1.01 -0.48 4.77 1.57 -1.17 -1.66 116.57 120.84 1xjo h LYS 139 Ca -0.02 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1xjo h LYS 139 Cb 1.20 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1xjo h LYS 139 CO 0.11 0.97 0.31 0.35 -0.57 0.00 0.00 179.45 180.62 1xjo h PHE 140 N 0.90 0.61 -0.07 -1.35 3.57 -0.86 0.21 116.94 119.95 1xjo h PHE 140 Ca 0.17 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.71 1xjo h PHE 140 Cb 0.48 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1xjo h PHE 140 CO 0.04 0.39 -0.10 -0.92 -2.23 0.00 0.00 178.31 175.49 1xjo h TYR 141 N 0.65 -0.25 -0.65 0.41 3.20 -0.83 -1.35 116.97 118.15 1xjo h TYR 141 Ca 0.17 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 1xjo h TYR 141 Cb -0.06 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 1xjo h TYR 141 CO -0.04 -0.15 0.09 0.28 -1.64 0.00 0.00 178.16 176.70 1xjo h VAL 142 N -0.14 1.26 0.00 1.81 2.07 -1.09 -1.88 116.25 118.29 1xjo h VAL 142 Ca 0.06 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1xjo h VAL 142 Cb 0.23 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1xjo h VAL 142 CO -0.16 0.39 -0.10 0.78 0.02 0.00 0.00 177.57 178.51 1xjo h ASN 143 N 1.01 0.00 -0.02 0.57 -0.26 -0.30 -2.72 115.58 113.85 1xjo h ASN 143 Ca 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1xjo h ASN 143 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1xjo h ASN 143 CO 0.02 0.10 -0.11 0.59 -1.06 0.00 0.00 177.43 176.97 1xjo n ASN 144 N -3.37 2.63 -4.74 5.81 3.02 -0.53 -4.88 115.26 113.20 1xjo n ASN 144 Ca -0.01 -1.83 -0.40 0.00 -0.03 0.00 0.00 54.58 52.31 1xjo n ASN 144 Cb 0.28 0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.51 1xjo n ASN 144 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xjo s LEU 145 N -2.11 4.38 0.77 3.41 1.43 -0.75 -5.03 118.68 120.78 1xjo s LEU 145 Ca 0.27 1.28 -0.12 0.00 -1.03 0.00 0.00 54.13 54.52 1xjo s LEU 145 Cb 0.20 -3.11 0.06 0.00 0.03 0.00 0.00 46.19 43.37 1xjo s LEU 145 CO 0.37 -0.03 1.13 -2.84 0.23 0.00 0.00 176.35 175.21 1xjo s PRO 146 N 0.29 2.07 0.25 1.29 0.02 -1.26 -4.72 135.00 132.93 1xjo s PRO 146 Ca 0.37 1.43 -0.03 0.00 0.02 0.00 0.00 61.00 62.78 1xjo s PRO 146 Cb -0.19 -1.86 0.48 0.00 0.02 0.00 0.00 34.50 32.95 1xjo s PRO 146 CO 0.20 -1.82 1.73 0.77 -0.33 0.00 0.00 177.00 177.54 1xjo h SER 147 N -0.87 0.31 -0.58 2.53 0.02 -1.97 0.11 113.55 113.10 1xjo h SER 147 Ca -0.45 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 1xjo h SER 147 Cb 1.26 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.85 1xjo h SER 147 CO 0.49 0.11 0.30 0.00 -1.14 0.00 0.00 176.83 176.60 1xjo h ALA 148 N 1.56 1.39 0.01 3.77 0.00 -2.00 -1.68 119.26 122.29 1xjo h ALA 148 Ca 0.43 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 55.02 1xjo h ALA 148 Cb 0.65 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xjo h ALA 148 CO -0.41 0.49 -0.89 -0.44 0.00 0.00 0.00 179.25 178.01 1xjo h ASP 149 N 0.85 0.24 -0.38 0.00 3.32 -1.21 -3.13 116.42 116.13 1xjo h ASP 149 Ca 0.21 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1xjo h ASP 149 Cb 0.07 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1xjo h ASP 149 CO -0.03 1.01 0.00 -0.09 -1.72 0.00 0.00 179.24 178.41 1xjo h ARG 150 N 0.10 0.75 0.00 3.56 2.43 -0.70 -1.87 114.38 118.65 1xjo h ARG 150 Ca -0.04 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1xjo h ARG 150 Cb 1.52 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 1xjo h ARG 150 CO 0.13 0.76 0.00 -1.13 -1.51 0.00 0.00 179.97 178.22 1xjo n SER 151 N -4.23 0.00 0.04 -3.80 3.41 -0.66 -2.14 113.62 106.24 1xjo n SER 151 Ca 0.02 0.42 0.13 0.00 -0.26 0.00 0.00 58.87 59.19 1xjo n SER 151 Cb 0.29 -0.47 0.49 0.00 -0.26 0.00 0.00 64.21 64.26 1xjo n SER 151 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xjo n LYS 152 N -1.47 0.12 -2.31 4.33 5.02 -0.71 -4.82 118.16 118.32 1xjo n LYS 152 Ca 0.06 0.09 -0.43 0.00 -2.02 0.00 0.00 58.31 56.01 1xjo n LYS 152 Cb 0.23 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 1xjo n LYS 152 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xjo s LEU 153 N -3.66 4.04 0.29 -0.35 1.43 -0.91 -0.87 118.68 118.66 1xjo s LEU 153 Ca 0.12 1.59 0.23 0.00 -1.03 0.00 0.00 54.13 55.04 1xjo s LEU 153 Cb 0.16 -3.54 0.16 0.00 0.03 0.00 0.00 46.19 43.01 1xjo s LEU 153 CO 0.58 -0.98 1.29 0.00 0.23 0.00 0.00 176.35 177.47 1xjo h ALA 154 N 9.21 0.70 0.00 4.21 0.00 -0.07 -3.45 119.26 129.87 1xjo h ALA 154 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xjo h ALA 154 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1xjo h ALA 154 CO 0.99 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.65 1xjo n GLY 155 N 1.16 0.73 2.82 0.00 0.00 -1.23 -4.48 105.19 104.19 1xjo n GLY 155 Ca 0.02 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 1xjo n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xjo s TYR 156 N -2.00 0.75 -0.15 1.61 5.04 -0.06 -1.34 117.35 121.21 1xjo s TYR 156 Ca 0.00 -0.22 -0.05 0.00 -2.44 0.00 0.00 57.07 54.36 1xjo s TYR 156 Cb 0.00 -0.79 -0.03 0.00 0.35 0.00 0.00 41.96 41.49 1xjo s TYR 156 CO 0.00 -0.30 0.00 -0.51 -1.34 0.00 0.00 175.55 173.40 1xjo s LEU 157 N 1.62 3.49 -0.08 6.97 1.43 0.67 -2.01 118.68 130.78 1xjo s LEU 157 Ca -0.00 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1xjo s LEU 157 Cb -0.13 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1xjo s LEU 157 CO -0.04 0.21 -0.08 0.21 0.23 0.00 0.00 176.35 176.88 1xjo s ASN 158 N 0.16 4.55 -0.22 2.29 2.47 0.46 -0.86 114.94 123.79 1xjo s ASN 158 Ca 0.01 -0.07 -0.00 0.00 0.42 0.00 0.00 52.86 53.22 1xjo s ASN 158 Cb -0.13 -1.20 0.06 0.00 -1.45 0.00 0.00 41.25 38.53 1xjo s ASN 158 CO 0.02 0.34 -0.03 -0.36 -3.72 0.00 0.00 177.10 173.35 1xjo s PHE 159 N -0.65 2.04 -0.38 0.43 0.08 -0.63 -2.95 117.98 115.92 1xjo s PHE 159 Ca 0.10 -1.52 0.12 0.00 0.12 0.00 0.00 56.93 55.74 1xjo s PHE 159 Cb -0.11 -1.44 0.35 0.00 -0.57 0.00 0.00 43.02 41.25 1xjo s PHE 159 CO 0.02 -0.73 0.77 -3.47 -0.10 0.00 0.00 175.22 171.70 1xjo n ASP 160 N 4.77 0.56 -0.02 1.36 -0.08 -1.24 -4.42 116.55 117.47 1xjo n ASP 160 Ca -0.11 -3.07 0.00 0.00 -1.51 0.00 0.00 54.79 50.10 1xjo n ASP 160 Cb 0.45 -0.39 0.00 0.00 2.34 0.00 0.00 41.12 43.51 1xjo n ASP 160 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1xjo n ILE 162 N 0.28 0.00 -2.05 5.18 -5.35 -1.26 -4.69 119.36 111.47 1xjo n ILE 162 Ca 0.23 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.75 1xjo n ILE 162 Cb 0.67 0.00 0.11 0.00 -1.74 0.00 0.00 39.64 38.68 1xjo n ILE 162 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xjo n GLY 163 N 0.00 3.22 3.66 3.28 0.00 -1.26 -3.52 105.19 110.57 1xjo n GLY 163 Ca 0.00 -1.13 -0.45 0.00 0.00 0.00 0.00 46.02 44.43 1xjo n GLY 163 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xjo n SER 164 N -0.36 2.66 0.23 1.61 7.64 -1.26 -1.17 113.62 122.97 1xjo n SER 164 Ca 0.13 1.13 0.13 0.00 1.01 0.00 0.00 58.87 61.28 1xjo n SER 164 Cb 0.91 -1.40 0.76 0.00 -1.01 0.00 0.00 64.21 63.47 1xjo n SER 164 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1xjo h PRO 165 N 4.42 0.00 -2.13 1.43 0.13 -1.72 -3.02 132.00 131.11 1xjo h PRO 165 Ca -0.45 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.11 1xjo h PRO 165 Cb 1.28 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 32.00 1xjo h PRO 165 CO 0.77 0.00 -0.85 -1.71 -0.23 0.00 0.00 178.00 175.98 1xjo n ASN 166 N -4.17 2.44 -4.79 1.44 5.15 -0.72 -4.69 115.26 109.91 1xjo n ASN 166 Ca -0.01 -3.22 -0.33 0.00 -0.60 0.00 0.00 54.58 50.42 1xjo n ASN 166 Cb 0.19 -0.63 0.01 0.00 -0.53 0.00 0.00 39.78 38.82 1xjo n ASN 166 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1xjo s PRO 167 N -2.33 3.29 0.41 1.20 0.04 -1.14 -4.32 135.00 132.14 1xjo s PRO 167 Ca 0.41 1.30 0.07 0.00 0.04 0.00 0.00 61.00 62.82 1xjo s PRO 167 Cb 0.22 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 1xjo s PRO 167 CO -0.08 -0.85 0.19 0.20 0.04 0.00 0.00 177.00 176.51 1xjo s GLY 168 N -2.53 2.30 -0.38 0.56 0.00 -0.63 -4.88 107.32 101.76 1xjo s GLY 168 Ca 0.66 -2.08 0.03 0.00 0.00 0.00 0.00 44.72 43.33 1xjo s GLY 168 CO 0.34 -1.89 0.11 -0.19 0.00 0.00 0.00 173.10 171.48 1xjo s TYR 169 N -2.58 3.15 -0.05 1.90 1.51 -1.26 -4.25 117.35 115.78 1xjo s TYR 169 Ca 0.41 -2.78 0.02 0.00 -1.01 0.00 0.00 57.07 53.72 1xjo s TYR 169 Cb 0.03 -2.62 -0.03 0.00 -0.11 0.00 0.00 41.96 39.23 1xjo s TYR 169 CO 0.23 -0.88 -0.09 -0.06 -1.11 0.00 0.00 175.55 173.63 1xjo s PHE 170 N 0.75 2.86 -0.07 2.71 0.08 -0.15 -1.57 117.98 122.58 1xjo s PHE 170 Ca 0.12 -0.04 0.03 0.00 0.12 0.00 0.00 56.93 57.17 1xjo s PHE 170 Cb -0.21 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.56 1xjo s PHE 170 CO -0.09 0.30 -0.17 0.08 -0.10 0.00 0.00 175.22 175.24 1xjo s VAL 171 N -0.82 2.77 0.45 -0.44 1.01 -0.39 -1.65 120.40 121.33 1xjo s VAL 171 Ca 0.13 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 61.06 1xjo s VAL 171 Cb -0.11 -2.09 -0.08 0.00 0.00 0.00 0.00 36.38 34.10 1xjo s VAL 171 CO 0.02 0.57 1.33 -0.31 0.00 0.00 0.00 175.10 176.71 1xjo s TYR 172 N -0.27 2.62 -0.87 5.22 1.51 -0.42 -4.39 117.35 120.75 1xjo s TYR 172 Ca 0.01 1.37 0.01 0.00 -1.01 0.00 0.00 57.07 57.45 1xjo s TYR 172 Cb -0.13 -3.73 0.32 0.00 -0.11 0.00 0.00 41.96 38.31 1xjo s TYR 172 CO 0.03 -2.43 1.46 -3.47 -1.11 0.00 0.00 175.55 170.03 1xjo n ASP 173 N -0.26 6.18 0.00 2.29 2.03 -1.26 -4.69 116.55 120.84 1xjo n ASP 173 Ca 0.06 -3.65 0.00 0.00 0.52 0.00 0.00 54.79 51.72 1xjo n ASP 173 Cb 0.44 -0.96 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 1xjo n ASP 173 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1xjo n ASP 174 N 0.05 0.00 -4.59 1.67 8.00 -1.26 -4.98 116.55 115.44 1xjo n ASP 174 Ca 0.39 0.00 -0.54 0.00 0.71 0.00 0.00 54.79 55.35 1xjo n ASP 174 Cb 0.32 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.35 1xjo n ASP 174 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xjo n ASP 175 N 0.00 1.43 0.14 -2.24 2.03 -0.96 -4.83 116.55 112.13 1xjo n ASP 175 Ca 0.00 1.12 -0.01 0.00 0.52 0.00 0.00 54.79 56.42 1xjo n ASP 175 Cb 0.00 -1.13 0.16 0.00 -0.72 0.00 0.00 41.12 39.43 1xjo n ASP 175 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1xjo h PRO 176 N 4.57 0.00 -0.39 -0.67 0.13 -1.94 -1.45 132.00 132.25 1xjo h PRO 176 Ca -0.48 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 1xjo h PRO 176 Cb 1.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1xjo h PRO 176 CO 0.78 0.62 -0.36 0.28 -0.23 0.00 0.00 178.00 179.09 1xjo h VAL 177 N 0.00 1.27 -0.15 1.56 2.07 -1.98 0.18 116.25 119.20 1xjo h VAL 177 Ca -0.01 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 65.95 1xjo h VAL 177 Cb 1.13 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1xjo h VAL 177 CO 0.08 0.51 -0.04 0.40 0.02 0.00 0.00 177.57 178.55 1xjo h ILE 178 N 0.76 1.29 -0.83 4.57 2.04 -1.87 -1.83 117.51 121.63 1xjo h ILE 178 Ca 0.07 -1.00 0.06 0.00 1.00 0.00 0.00 64.86 64.99 1xjo h ILE 178 Cb 0.94 1.65 -0.06 0.00 -0.74 0.00 0.00 36.82 38.61 1xjo h ILE 178 CO 0.09 0.29 0.51 -0.08 0.00 0.00 0.00 178.15 178.96 1xjo h GLU 179 N -0.02 0.90 -0.51 2.37 4.81 -1.24 -1.91 114.58 118.98 1xjo h GLU 179 Ca 0.04 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1xjo h GLU 179 Cb 0.47 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1xjo h GLU 179 CO 0.02 0.59 -0.04 -0.22 -0.73 0.00 0.00 179.01 178.63 1xjo h LYS 180 N 0.92 0.89 -0.59 1.92 3.64 -0.39 -1.88 116.57 121.09 1xjo h LYS 180 Ca 0.37 -0.28 0.08 0.00 -1.27 0.00 0.00 60.65 59.55 1xjo h LYS 180 Cb 0.19 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.86 1xjo h LYS 180 CO -0.18 0.91 0.24 1.15 -2.27 0.00 0.00 179.45 179.30 1xjo h THR 181 N 0.81 0.82 -0.28 1.00 2.02 -0.55 0.32 112.91 117.05 1xjo h THR 181 Ca 0.15 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1xjo h THR 181 Cb 0.54 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1xjo h THR 181 CO 0.03 0.08 -0.09 -0.26 0.37 0.00 0.00 175.52 175.65 1xjo h PHE 182 N 0.44 0.64 -0.73 3.16 0.04 -1.22 -2.52 116.94 116.76 1xjo h PHE 182 Ca 0.29 -0.15 0.07 0.00 2.80 0.00 0.00 57.97 60.99 1xjo h PHE 182 Cb 0.32 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.25 1xjo h PHE 182 CO -0.15 0.78 0.41 0.87 -0.60 0.00 0.00 178.31 179.62 1xjo h LYS 183 N 0.32 0.70 -0.53 1.51 1.57 -0.78 -1.50 116.57 117.86 1xjo h LYS 183 Ca 0.07 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1xjo h LYS 183 Cb 0.59 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1xjo h LYS 183 CO 0.03 0.46 0.14 -0.91 -0.57 0.00 0.00 179.45 178.61 1xjo h ASN 184 N 0.72 0.75 -0.17 0.86 -0.26 -0.31 0.61 115.58 117.77 1xjo h ASN 184 Ca 0.34 -0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 55.95 1xjo h ASN 184 Cb 0.26 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 1xjo h ASN 184 CO -0.21 0.73 0.08 0.22 -1.06 0.00 0.00 177.43 177.19 1xjo h TYR 185 N 0.78 0.25 -0.74 1.19 3.20 -0.85 -2.63 116.97 118.16 1xjo h TYR 185 Ca 0.17 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 1xjo h TYR 185 Cb 0.27 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1xjo h TYR 185 CO 0.02 0.27 0.28 0.74 -1.64 0.00 0.00 178.16 177.83 1xjo h PHE 186 N 0.15 1.14 -0.77 -3.82 0.04 -0.76 -2.56 116.94 110.36 1xjo h PHE 186 Ca 0.06 -0.09 0.11 0.00 2.80 0.00 0.00 57.97 60.85 1xjo h PHE 186 Cb 0.12 -0.34 -0.08 0.00 2.20 0.00 0.00 35.95 37.85 1xjo h PHE 186 CO -0.03 0.87 0.39 0.00 -0.60 0.00 0.00 178.31 178.95 1xjo h ALA 187 N 1.21 1.09 0.00 2.45 0.00 -0.74 -0.04 119.26 123.24 1xjo h ALA 187 Ca 0.25 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1xjo h ALA 187 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xjo h ALA 187 CO -0.02 -0.03 0.00 0.78 0.00 0.00 0.00 179.25 179.98 1xjo h GLY 188 N 0.64 0.00 0.36 0.00 0.00 -1.09 0.20 103.07 103.18 1xjo h GLY 188 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1xjo h GLY 188 CO -0.29 0.00 -0.88 1.04 0.00 0.00 0.00 176.54 176.40 1xjo n LEU 189 N -2.76 0.78 -2.10 3.11 4.77 -0.16 -4.97 117.00 115.67 1xjo n LEU 189 Ca -0.01 -0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 55.56 1xjo n LEU 189 Cb 0.16 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1xjo n LEU 189 CO 0.20 0.18 0.11 -3.20 -1.33 0.00 0.00 177.39 173.35 1xjo n ASN 190 N -1.57 -4.33 -4.27 -1.43 4.05 0.69 -5.01 115.26 103.38 1xjo n ASN 190 Ca 0.04 -0.27 -0.34 0.00 0.45 0.00 0.00 54.58 54.46 1xjo n ASN 190 Cb 0.35 -2.96 -0.15 0.00 1.23 0.00 0.00 39.78 38.25 1xjo n ASN 190 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1xjo s VAL 191 N -3.11 3.00 0.58 3.44 1.01 -0.75 -5.02 120.40 119.55 1xjo s VAL 191 Ca 0.29 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 1xjo s VAL 191 Cb -0.13 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1xjo s VAL 191 CO 0.36 0.47 1.08 -2.16 0.00 0.00 0.00 175.10 174.85 1xjo s PRO 192 N 1.23 3.28 0.18 2.72 0.04 -1.26 -4.19 135.00 137.00 1xjo s PRO 192 Ca 0.03 1.36 0.08 0.00 0.04 0.00 0.00 61.00 62.51 1xjo s PRO 192 Cb -0.14 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1xjo s PRO 192 CO -0.04 -0.86 -0.16 0.95 0.04 0.00 0.00 177.00 176.93 1xjo s THR 193 N -2.20 1.74 0.33 1.26 -4.23 -1.26 -4.71 115.64 106.57 1xjo s THR 193 Ca 0.67 -2.06 0.04 0.00 -1.18 0.00 0.00 61.69 59.17 1xjo s THR 193 Cb -0.19 -1.92 -0.07 0.00 1.34 0.00 0.00 72.50 71.67 1xjo s THR 193 CO 0.33 -0.47 0.05 -1.61 -0.54 0.00 0.00 174.62 172.38 1xjo s GLU 194 N -3.22 1.68 0.71 3.99 2.02 -0.61 -5.00 118.70 118.27 1xjo s GLU 194 Ca 0.19 -1.93 -0.09 0.00 0.02 0.00 0.00 54.97 53.16 1xjo s GLU 194 Cb -0.03 -0.94 0.04 0.00 0.10 0.00 0.00 34.13 33.30 1xjo s GLU 194 CO 0.07 -0.17 1.05 0.42 0.02 0.00 0.00 175.26 176.64 1xjo s ILE 195 N -3.24 2.77 0.00 -1.63 1.01 -1.26 -1.27 121.20 117.59 1xjo s ILE 195 Ca 0.36 0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1xjo s ILE 195 Cb 0.09 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.35 1xjo s ILE 195 CO 0.16 -0.24 0.00 -2.11 0.00 0.00 0.00 174.94 172.75 1xjo n ARG 202 N -2.97 0.00 -4.10 2.79 0.00 -1.26 -4.74 116.66 106.39 1xjo n ARG 202 Ca 0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.78 1xjo n ARG 202 Cb 0.59 -0.52 -0.05 0.00 -0.00 0.00 0.00 32.46 32.48 1xjo n ARG 202 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1xjo s SER 203 N -2.59 0.73 0.50 2.89 0.15 -1.26 -5.06 113.70 109.06 1xjo s SER 203 Ca 0.00 -1.40 0.33 0.00 0.70 0.00 0.00 55.95 55.58 1xjo s SER 203 Cb 0.00 0.62 1.79 0.00 -1.71 0.00 0.00 66.02 66.72 1xjo s SER 203 CO 0.00 -1.22 2.01 0.44 1.20 0.00 0.00 173.24 175.67 1xjo h ASP 204 N 2.18 0.00 1.27 5.45 3.32 -1.97 -2.01 116.42 124.66 1xjo h ASP 204 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1xjo h ASP 204 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1xjo h ASP 204 CO 0.39 0.00 0.00 1.12 -1.72 0.00 0.00 179.24 179.03 1xjo h HIS 205 N 0.00 0.00 -0.31 4.55 2.07 -1.96 -3.35 115.15 116.15 1xjo h HIS 205 Ca 0.00 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.58 1xjo h HIS 205 Cb 0.04 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 29.97 1xjo h HIS 205 CO 0.00 0.00 -0.02 0.00 -3.07 0.00 0.00 177.93 174.84 1xjo h ALA 206 N 2.13 0.26 -0.74 6.11 0.00 -1.80 -0.85 119.26 124.37 1xjo h ALA 206 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1xjo h ALA 206 Cb 0.63 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1xjo h ALA 206 CO 0.00 -0.42 0.49 -1.35 0.00 0.00 0.00 179.25 177.96 1xjo h PRO 207 N 0.07 0.92 -0.21 0.00 0.11 -1.82 -0.21 132.00 130.85 1xjo h PRO 207 Ca 0.15 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 66.03 1xjo h PRO 207 Cb 0.20 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1xjo h PRO 207 CO -0.26 0.61 -0.54 0.74 -0.21 0.00 0.00 178.00 178.34 1xjo h PHE 208 N 0.94 0.94 -1.00 0.65 -1.00 -1.62 -3.17 116.94 112.68 1xjo h PHE 208 Ca 0.28 -0.36 0.02 0.00 2.81 0.00 0.00 57.97 60.72 1xjo h PHE 208 Cb -0.03 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 39.31 1xjo h PHE 208 CO -0.00 1.17 0.66 -0.22 -1.61 0.00 0.00 178.31 178.30 1xjo h LYS 209 N 0.45 1.27 -0.06 1.51 3.64 -0.46 -1.86 116.57 121.06 1xjo h LYS 209 Ca -0.01 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1xjo h LYS 209 Cb 1.15 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1xjo h LYS 209 CO 0.12 0.84 0.05 -0.91 -2.27 0.00 0.00 179.45 177.28 1xjo h ASN 210 N 1.31 0.00 -0.57 4.20 -0.26 -1.06 -1.21 115.58 117.99 1xjo h ASN 210 Ca 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.12 1xjo h ASN 210 Cb -0.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 1xjo h ASN 210 CO -0.10 0.00 0.00 1.33 -1.06 0.00 0.00 177.43 177.60 1xjo n VAL 211 N -4.28 2.29 -0.64 2.81 0.24 -0.84 -4.97 118.33 112.95 1xjo n VAL 211 Ca -0.02 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 1xjo n VAL 211 Cb 0.15 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 1xjo n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xjo n GLY 212 N 0.72 0.76 3.75 7.63 0.00 -0.46 -5.04 105.19 112.55 1xjo n GLY 212 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 1xjo n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xjo s VAL 213 N -2.76 4.51 0.21 1.61 1.01 -0.76 -5.00 120.40 119.22 1xjo s VAL 213 Ca 0.00 1.82 -0.30 0.00 0.00 0.00 0.00 61.98 63.49 1xjo s VAL 213 Cb 0.00 -4.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.08 1xjo s VAL 213 CO 0.00 0.41 1.42 -2.84 0.00 0.00 0.00 175.10 174.09 1xjo s PRO 214 N -0.43 4.29 0.17 2.72 0.02 -1.26 -4.18 135.00 136.33 1xjo s PRO 214 Ca 0.40 2.23 0.04 0.00 0.02 0.00 0.00 61.00 63.70 1xjo s PRO 214 Cb -0.22 -3.15 -0.05 0.00 0.02 0.00 0.00 34.50 31.10 1xjo s PRO 214 CO 0.27 -0.41 -0.07 0.14 -0.33 0.00 0.00 177.00 176.59 1xjo s VAL 215 N 0.29 1.14 0.20 3.83 -7.23 -1.26 -0.88 120.40 116.50 1xjo s VAL 215 Ca 0.61 -2.06 -0.10 0.00 -1.81 0.00 0.00 61.98 58.62 1xjo s VAL 215 Cb -0.40 -2.00 0.04 0.00 0.56 0.00 0.00 36.38 34.57 1xjo s VAL 215 CO 0.39 -0.62 0.52 0.61 -0.31 0.00 0.00 175.10 175.69 1xjo n GLY 216 N -0.27 1.24 0.00 2.32 0.00 -0.85 -2.26 105.19 105.37 1xjo n GLY 216 Ca -0.09 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1xjo n GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xjo n GLY 217 N -0.35 -0.11 3.28 -0.02 0.00 -1.26 -0.40 105.19 106.32 1xjo n GLY 217 Ca -0.04 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.68 1xjo n GLY 217 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xjo s LEU 218 N 0.00 2.38 -0.15 0.99 1.43 -1.15 -1.30 118.68 120.87 1xjo s LEU 218 Ca 0.00 -0.78 -0.22 0.00 -1.03 0.00 0.00 54.13 52.10 1xjo s LEU 218 Cb 0.00 -0.74 0.06 0.00 0.03 0.00 0.00 46.19 45.53 1xjo s LEU 218 CO 0.00 -0.04 0.57 0.12 0.23 0.00 0.00 176.35 177.23 1xjo s PHE 219 N -1.75 -0.58 -1.04 0.29 5.36 -0.66 -3.71 117.98 115.87 1xjo s PHE 219 Ca 0.10 1.28 0.10 0.00 -0.96 0.00 0.00 56.93 57.45 1xjo s PHE 219 Cb -0.07 0.25 0.19 0.00 -0.34 0.00 0.00 43.02 43.06 1xjo s PHE 219 CO 0.05 -0.40 1.06 0.25 -1.46 0.00 0.00 175.22 174.71 1xjo n THR 220 N 2.07 0.56 0.00 0.12 -2.24 -1.26 -0.98 114.28 112.56 1xjo n THR 220 Ca -0.16 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 1xjo n THR 220 Cb 0.56 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1xjo n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xjo n GLY 221 N 0.50 2.43 0.00 3.38 0.00 -1.26 -1.60 105.19 108.64 1xjo n GLY 221 Ca 0.09 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1xjo n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjo n ALA 222 N 1.42 0.00 0.71 4.61 0.00 -1.26 -4.30 120.51 121.70 1xjo n ALA 222 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1xjo n ALA 222 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 19.45 19.93 1xjo n ALA 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjo n GLY 223 N 5.00 -1.44 3.74 0.00 0.00 -1.26 -0.70 105.19 110.52 1xjo n GLY 223 Ca 0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1xjo n GLY 223 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xjo s TYR 224 N -3.08 2.27 0.08 1.61 -0.00 -1.26 -4.71 117.35 112.26 1xjo s TYR 224 Ca 0.10 1.57 -0.23 0.00 -0.00 0.00 0.00 57.07 58.51 1xjo s TYR 224 Cb 0.14 -3.40 -0.06 0.00 -0.00 0.00 0.00 41.96 38.63 1xjo s TYR 224 CO 0.48 -2.29 0.69 0.99 -0.00 0.00 0.00 175.55 175.42 1xjo s THR 225 N -1.97 4.67 0.19 -3.49 2.01 -1.26 -1.93 115.64 113.85 1xjo s THR 225 Ca 0.73 1.47 -0.30 0.00 0.31 0.00 0.00 61.69 63.91 1xjo s THR 225 Cb -0.27 -4.03 -0.08 0.00 0.01 0.00 0.00 72.50 68.13 1xjo s THR 225 CO 0.41 0.47 1.05 -0.75 -0.69 0.00 0.00 174.62 175.11 1xjo s LYS 226 N -0.64 4.65 0.74 4.92 2.20 -0.14 -4.90 119.74 126.57 1xjo s LYS 226 Ca 0.34 1.65 -0.06 0.00 -0.36 0.00 0.00 55.97 57.54 1xjo s LYS 226 Cb -0.21 -3.28 0.11 0.00 -1.51 0.00 0.00 37.83 32.94 1xjo s LYS 226 CO 0.22 0.17 1.04 -1.54 -0.36 0.00 0.00 175.35 174.88 1xjo s SER 227 N -0.32 4.40 0.16 1.43 1.04 -1.26 -0.81 113.70 118.32 1xjo s SER 227 Ca 0.47 0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.87 1xjo s SER 227 Cb -0.28 -0.58 0.04 0.00 0.10 0.00 0.00 66.02 65.30 1xjo s SER 227 CO 0.34 -1.85 1.73 0.00 0.98 0.00 0.00 173.24 174.45 1xjo h ALA 228 N -0.70 0.65 -0.39 5.32 0.00 -1.96 0.71 119.26 122.89 1xjo h ALA 228 Ca -0.42 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 1xjo h ALA 228 Cb 1.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1xjo h ALA 228 CO 0.49 0.22 -0.12 0.00 0.00 0.00 0.00 179.25 179.84 1xjo h ALA 229 N 1.07 1.05 -0.16 0.00 0.00 -1.98 0.72 119.26 119.95 1xjo h ALA 229 Ca 0.17 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1xjo h ALA 229 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xjo h ALA 229 CO -0.02 0.58 -0.56 1.96 0.00 0.00 0.00 179.25 181.21 1xjo h GLN 230 N 0.63 0.51 0.00 0.00 4.20 -1.77 -1.53 115.11 117.16 1xjo h GLN 230 Ca 0.11 -0.32 -0.09 0.00 0.06 0.00 0.00 58.65 58.40 1xjo h GLN 230 Cb 0.58 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1xjo h GLN 230 CO 0.04 0.93 -0.44 0.00 -0.67 0.00 0.00 178.83 178.69 1xjo h ALA 231 N 1.00 1.14 -0.12 3.87 0.00 -0.41 0.02 119.26 124.76 1xjo h ALA 231 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1xjo h ALA 231 Cb 1.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1xjo h ALA 231 CO 0.10 0.55 0.05 0.37 0.00 0.00 0.00 179.25 180.32 1xjo h GLN 232 N 0.00 0.18 0.00 0.00 5.75 -0.45 0.43 115.11 121.02 1xjo h GLN 232 Ca -0.00 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.39 1xjo h GLN 232 Cb 0.84 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 1xjo h GLN 232 CO 0.06 0.28 -0.34 1.57 -2.65 0.00 0.00 178.83 177.75 1xjo h LYS 233 N 0.04 0.00 0.00 1.69 2.10 -0.76 -3.37 116.57 116.27 1xjo h LYS 233 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1xjo h LYS 233 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1xjo h LYS 233 CO -0.00 0.34 0.00 0.91 -2.00 0.00 0.00 179.45 178.70 1xjo n TRP 234 N -3.33 0.00 -1.69 0.07 8.01 -0.06 -4.81 117.44 115.63 1xjo n TRP 234 Ca 0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.20 1xjo n TRP 234 Cb 0.56 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.86 1xjo n TRP 234 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xjo n GLY 235 N 0.32 -2.26 4.47 6.99 0.00 0.15 -5.00 105.19 109.86 1xjo n GLY 235 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1xjo n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xjo n GLY 236 N -0.15 -0.28 2.96 -0.02 0.00 -1.26 -4.43 105.19 102.01 1xjo n GLY 236 Ca 0.00 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 1xjo n GLY 236 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xjo s THR 237 N 0.00 1.31 0.51 2.61 2.01 -1.26 -4.99 115.64 115.83 1xjo s THR 237 Ca 0.00 -0.47 -0.19 0.00 0.31 0.00 0.00 61.69 61.34 1xjo s THR 237 Cb 0.00 -1.27 -0.08 0.00 0.01 0.00 0.00 72.50 71.16 1xjo s THR 237 CO 0.00 0.41 1.02 0.00 -0.69 0.00 0.00 174.62 175.36 1xjo s ALA 238 N 1.59 2.89 0.00 7.40 0.00 -1.26 -2.81 121.76 129.58 1xjo s ALA 238 Ca 0.05 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1xjo s ALA 238 Cb -0.13 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1xjo s ALA 238 CO -0.10 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1xjo n GLY 239 N -0.67 0.98 3.61 0.00 0.00 0.01 -4.99 105.19 104.13 1xjo n GLY 239 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1xjo n GLY 239 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xjo s GLN 240 N -0.00 2.20 0.76 1.61 -1.52 -1.12 -4.84 119.66 116.75 1xjo s GLN 240 Ca 0.00 -1.14 -0.14 0.00 -1.95 0.00 0.00 55.36 52.13 1xjo s GLN 240 Cb 0.00 -2.27 0.06 0.00 -0.22 0.00 0.00 33.01 30.58 1xjo s GLN 240 CO 0.00 0.46 1.18 0.00 -0.25 0.00 0.00 175.29 176.68 1xjo s ALA 241 N -1.59 2.03 0.35 6.09 0.00 -1.26 -0.97 121.76 126.41 1xjo s ALA 241 Ca 0.25 0.76 0.07 0.00 0.00 0.00 0.00 51.96 53.04 1xjo s ALA 241 Cb -0.10 -3.44 0.64 0.00 0.00 0.00 0.00 23.12 20.22 1xjo s ALA 241 CO 0.16 -2.00 1.85 0.74 0.00 0.00 0.00 175.76 176.50 1xjo h PHE 242 N -0.64 0.36 -2.79 0.00 0.04 -0.91 -3.38 116.94 109.62 1xjo h PHE 242 Ca -0.46 -0.05 -0.53 0.00 2.80 0.00 0.00 57.97 59.72 1xjo h PHE 242 Cb 1.28 -0.10 -0.40 0.00 2.20 0.00 0.00 35.95 38.93 1xjo h PHE 242 CO 0.49 0.49 -0.78 0.34 -0.60 0.00 0.00 178.31 178.25 1xjo s ASP 243 N -6.84 3.53 0.12 2.17 -1.08 0.12 -1.75 116.67 112.94 1xjo s ASP 243 Ca -0.06 -1.32 0.19 0.00 -0.52 0.00 0.00 52.55 50.83 1xjo s ASP 243 Cb 0.15 -0.36 0.78 0.00 -1.46 0.00 0.00 42.92 42.03 1xjo s ASP 243 CO 0.75 -0.44 1.57 0.54 0.52 0.00 0.00 175.17 178.12 1xjo n ARG 244 N 5.20 0.09 -0.34 4.34 1.74 -1.26 -2.73 116.66 123.70 1xjo n ARG 244 Ca -0.05 0.33 0.08 0.00 -0.77 0.00 0.00 57.85 57.44 1xjo n ARG 244 Cb 0.42 -1.67 0.21 0.00 -1.02 0.00 0.00 32.46 30.40 1xjo n ARG 244 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xjo n TYR 246 N -0.89 1.93 -1.68 0.00 9.36 -1.10 -1.05 117.16 123.73 1xjo n TYR 246 Ca 0.20 0.48 -0.20 0.00 3.32 0.00 0.00 57.90 61.70 1xjo n TYR 246 Cb 0.81 -2.45 -0.08 0.00 -0.63 0.00 0.00 39.34 37.00 1xjo n TYR 246 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1xjo n HIS 247 N 4.45 -0.16 -4.13 2.98 8.25 -1.26 -4.96 115.22 120.40 1xjo n HIS 247 Ca 0.23 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.45 1xjo n HIS 247 Cb 0.18 -3.44 -0.07 0.00 1.12 0.00 0.00 29.99 27.78 1xjo n HIS 247 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1xjo s SER 248 N -2.63 4.50 0.51 0.41 0.01 -0.21 -4.73 113.70 111.56 1xjo s SER 248 Ca 0.00 -0.94 0.33 0.00 1.31 0.00 0.00 55.95 56.65 1xjo s SER 248 Cb 0.00 -0.58 1.44 0.00 0.21 0.00 0.00 66.02 67.09 1xjo s SER 248 CO 0.00 -0.41 1.98 0.77 0.41 0.00 0.00 173.24 175.98 1xjo h SER 249 N 1.51 0.00 -0.13 2.44 4.64 -1.84 -1.89 113.55 118.28 1xjo h SER 249 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1xjo h SER 249 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1xjo h SER 249 CO 0.67 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.63 1xjo n ASP 251 N -0.11 4.50 -1.60 0.00 2.03 -0.71 -4.54 116.55 116.12 1xjo n ASP 251 Ca 0.08 -2.94 0.00 0.00 0.52 0.00 0.00 54.79 52.44 1xjo n ASP 251 Cb 0.14 -1.61 0.00 0.00 -0.72 0.00 0.00 41.12 38.93 1xjo n ASP 251 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xjo n SER 252 N 5.72 1.57 0.28 1.67 3.41 -1.26 -1.90 113.62 123.10 1xjo n SER 252 Ca 0.47 -0.80 0.12 0.00 -0.26 0.00 0.00 58.87 58.40 1xjo n SER 252 Cb 0.39 0.00 0.79 0.00 -0.26 0.00 0.00 64.21 65.13 1xjo n SER 252 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1xjo h LEU 253 N 0.00 0.00 -0.71 1.04 3.38 -1.94 0.40 115.31 117.47 1xjo h LEU 253 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xjo h LEU 253 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xjo h LEU 253 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1xjo n SER 254 N -4.16 1.05 -2.05 -0.43 3.41 -1.26 -3.86 113.62 106.32 1xjo n SER 254 Ca -0.03 -1.84 -0.23 0.00 -0.26 0.00 0.00 58.87 56.51 1xjo n SER 254 Cb 0.10 -0.11 0.08 0.00 -0.26 0.00 0.00 64.21 64.02 1xjo n SER 254 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1xjo n ASN 255 N 0.01 6.15 -4.10 4.04 5.15 0.14 -4.90 115.26 121.75 1xjo n ASN 255 Ca 0.10 -3.35 -0.25 0.00 -0.60 0.00 0.00 54.58 50.48 1xjo n ASN 255 Cb 0.19 -0.95 -0.16 0.00 -0.53 0.00 0.00 39.78 38.33 1xjo n ASN 255 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xjo s ILE 256 N -3.23 1.27 -0.35 -1.44 -1.09 -1.25 -4.17 121.20 110.94 1xjo s ILE 256 Ca 0.46 -0.63 -0.14 0.00 -2.23 0.00 0.00 60.65 58.11 1xjo s ILE 256 Cb 0.37 -1.10 -0.01 0.00 -1.58 0.00 0.00 42.46 40.14 1xjo s ILE 256 CO 0.02 0.37 0.31 0.21 -1.23 0.00 0.00 174.94 174.61 1xjo s ASN 257 N 0.08 6.12 0.22 3.58 3.84 -0.32 -4.80 114.94 123.67 1xjo s ASN 257 Ca -0.04 -0.43 -0.09 0.00 0.21 0.00 0.00 52.86 52.52 1xjo s ASN 257 Cb -0.11 -2.17 0.20 0.00 -0.55 0.00 0.00 41.25 38.63 1xjo s ASN 257 CO 0.02 -0.32 1.87 0.44 -2.79 0.00 0.00 177.10 176.32 1xjo h ASP 258 N 8.51 0.85 -0.28 -4.21 3.32 -1.93 -1.69 116.42 120.99 1xjo h ASP 258 Ca -0.30 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1xjo h ASP 258 Cb 1.14 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1xjo h ASP 258 CO 0.68 0.60 0.14 0.74 -1.72 0.00 0.00 179.24 179.68 1xjo h THR 259 N 1.00 1.14 -0.48 0.35 2.02 -1.98 0.05 112.91 115.01 1xjo h THR 259 Ca 0.30 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1xjo h THR 259 Cb -0.04 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1xjo h THR 259 CO -0.09 0.14 0.22 0.00 0.37 0.00 0.00 175.52 176.16 1xjo h ALA 260 N 1.01 0.62 -0.59 6.16 0.00 -1.83 -1.01 119.26 123.61 1xjo h ALA 260 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1xjo h ALA 260 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1xjo h ALA 260 CO -0.01 0.19 0.33 1.25 0.00 0.00 0.00 179.25 181.00 1xjo h LEU 261 N 0.63 0.74 -0.16 0.00 5.85 -1.18 0.47 115.31 121.67 1xjo h LEU 261 Ca 0.16 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1xjo h LEU 261 Cb 0.14 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1xjo h LEU 261 CO -0.02 0.62 0.01 -0.78 -0.34 0.00 0.00 178.44 177.93 1xjo h ASP 262 N 0.81 0.26 -0.41 1.25 3.58 -0.78 0.03 116.42 121.15 1xjo h ASP 262 Ca 0.21 -0.29 0.02 0.00 0.42 0.00 0.00 57.03 57.39 1xjo h ASP 262 Cb 0.04 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 1xjo h ASP 262 CO -0.03 0.49 0.23 0.03 -2.88 0.00 0.00 179.24 177.07 1xjo h ARG 263 N 0.03 0.46 -0.23 0.28 3.08 -1.05 -0.94 114.38 116.00 1xjo h ARG 263 Ca 0.05 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 1xjo h ARG 263 Cb 0.35 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1xjo h ARG 263 CO 0.01 0.30 -0.32 -0.91 -1.07 0.00 0.00 179.97 177.98 1xjo h ASN 264 N 0.47 0.50 -0.49 7.04 2.35 -0.82 -0.55 115.58 124.08 1xjo h ASN 264 Ca 0.17 -0.19 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 1xjo h ASN 264 Cb 0.03 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1xjo h ASN 264 CO -0.09 0.79 -0.04 0.28 -1.65 0.00 0.00 177.43 176.72 1xjo h SER 265 N 0.42 0.89 -0.33 5.81 0.02 -0.65 -0.89 113.55 118.82 1xjo h SER 265 Ca 0.05 -0.33 -0.09 0.00 -0.84 0.00 0.00 61.79 60.58 1xjo h SER 265 Cb 0.77 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1xjo h SER 265 CO 0.06 1.00 -0.12 0.44 -1.14 0.00 0.00 176.83 177.07 1xjo h ASP 266 N 0.75 0.76 -0.67 3.07 3.32 -1.01 -2.38 116.42 120.26 1xjo h ASP 266 Ca 0.13 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 1xjo h ASP 266 Cb 0.57 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1xjo h ASP 266 CO 0.03 0.90 0.22 0.00 -1.72 0.00 0.00 179.24 178.67 1xjo h ALA 267 N 1.17 1.07 -0.38 3.45 0.00 -0.88 -0.44 119.26 123.26 1xjo h ALA 267 Ca 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1xjo h ALA 267 Cb 0.60 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1xjo h ALA 267 CO 0.04 0.63 0.20 0.00 0.00 0.00 0.00 179.25 180.12 1xjo h ALA 268 N 1.21 0.48 -0.58 0.00 0.00 -0.75 0.29 119.26 119.91 1xjo h ALA 268 Ca 0.23 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1xjo h ALA 268 Cb 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1xjo h ALA 268 CO -0.01 0.01 0.22 0.00 0.00 0.00 0.00 179.25 179.47 1xjo h ALA 269 N 1.06 0.76 -0.50 0.00 0.00 -1.16 -0.99 119.26 118.44 1xjo h ALA 269 Ca 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xjo h ALA 269 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xjo h ALA 269 CO -0.02 0.38 0.26 1.25 0.00 0.00 0.00 179.25 181.12 1xjo h HIS 270 N 0.81 0.70 -0.50 0.00 6.17 -0.74 0.48 115.15 122.06 1xjo h HIS 270 Ca 0.19 -0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.22 1xjo h HIS 270 Cb 0.22 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 29.91 1xjo h HIS 270 CO 0.01 0.54 0.19 0.00 0.71 0.00 0.00 177.93 179.38 1xjo h ALA 271 N 1.10 0.65 -0.64 5.26 0.00 -0.69 -0.47 119.26 124.47 1xjo h ALA 271 Ca 0.17 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1xjo h ALA 271 Cb 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1xjo h ALA 271 CO -0.03 0.27 0.10 0.82 0.00 0.00 0.00 179.25 180.42 1xjo h ILE 272 N 0.67 1.26 -0.06 0.00 2.04 -0.90 0.65 117.51 121.17 1xjo h ILE 272 Ca 0.17 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 1xjo h ILE 272 Cb 0.21 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1xjo h ILE 272 CO -0.01 0.38 0.02 -0.50 0.00 0.00 0.00 178.15 178.04 1xjo h TRP 273 N 0.98 0.10 0.03 1.37 6.55 -0.74 -2.51 115.95 121.72 1xjo h TRP 273 Ca 0.19 -0.01 -0.00 0.00 0.95 0.00 0.00 58.89 60.02 1xjo h TRP 273 Cb 0.44 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.71 1xjo h TRP 273 CO 0.03 0.25 -0.01 1.15 -1.05 0.00 0.00 178.44 178.81 1xjo h THR 274 N -0.08 0.99 0.00 1.49 2.02 -0.91 -2.75 112.91 113.66 1xjo h THR 274 Ca 0.02 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1xjo h THR 274 Cb 0.19 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1xjo h THR 274 CO -0.00 0.01 0.00 0.18 0.37 0.00 0.00 175.52 176.08 1xjo n LEU 275 N -5.09 0.09 -0.78 2.58 4.77 0.21 -3.30 117.00 115.47 1xjo n LEU 275 Ca -0.07 0.51 0.13 0.00 -0.03 0.00 0.00 56.01 56.55 1xjo n LEU 275 Cb 0.05 -0.49 0.23 0.00 -2.33 0.00 0.00 43.42 40.88 1xjo n LEU 275 CO 0.33 -0.15 0.70 -1.54 -1.33 0.00 0.00 177.39 175.39 1xjo n SER 276 N -1.59 2.47 -0.46 -1.43 3.41 -0.94 -4.91 113.62 110.17 1xjo n SER 276 Ca 0.05 -1.81 0.06 0.00 -0.26 0.00 0.00 58.87 56.91 1xjo n SER 276 Cb 0.26 0.02 0.05 0.00 -0.26 0.00 0.00 64.21 64.28 1xjo n SER 276 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68