#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pm9 s HIS 2 N 0.00 3.21 0.05 5.64 4.02 -1.26 -5.07 115.29 121.89 1pm9 s HIS 2 Ca 0.00 1.56 -0.01 0.00 1.02 0.00 0.00 55.06 57.64 1pm9 s HIS 2 Cb 0.00 -2.92 -0.04 0.00 -1.02 0.00 0.00 32.58 28.60 1pm9 s HIS 2 CO 0.00 -0.48 -0.04 -1.54 1.02 0.00 0.00 174.74 173.71 1pm9 s SER 3 N -2.37 0.54 -0.46 1.40 1.04 -1.26 -4.95 113.70 107.64 1pm9 s SER 3 Ca 0.63 -0.93 -0.29 0.00 0.48 0.00 0.00 55.95 55.84 1pm9 s SER 3 Cb -0.12 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.20 1pm9 s SER 3 CO 0.21 -0.54 1.19 -0.22 0.98 0.00 0.00 173.24 174.87 1pm9 s LEU 4 N -2.73 3.63 0.68 2.42 2.96 -1.26 -5.01 118.68 119.36 1pm9 s LEU 4 Ca 0.04 0.54 -0.16 0.00 -0.22 0.00 0.00 54.13 54.34 1pm9 s LEU 4 Cb 0.05 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.20 1pm9 s LEU 4 CO -0.08 -1.29 1.17 -2.16 -1.32 0.00 0.00 176.35 172.67 1pm9 s PRO 5 N 4.55 2.55 0.49 0.98 0.04 -1.26 -5.00 135.00 137.36 1pm9 s PRO 5 Ca 0.51 1.63 -0.18 0.00 0.04 0.00 0.00 61.00 63.00 1pm9 s PRO 5 Cb -0.08 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 1pm9 s PRO 5 CO 0.32 -1.49 0.99 -0.51 0.04 0.00 0.00 177.00 176.34 1pm9 s ASP 6 N -2.14 6.60 0.51 6.66 1.01 -1.26 -5.03 116.67 123.01 1pm9 s ASP 6 Ca 0.72 1.67 -0.18 0.00 0.71 0.00 0.00 52.55 55.47 1pm9 s ASP 6 Cb -0.26 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.07 1pm9 s ASP 6 CO 0.41 -0.60 1.02 -0.76 0.21 0.00 0.00 175.17 175.45 1pm9 s LEU 7 N -3.79 3.72 -0.10 1.23 1.43 -1.26 -4.93 118.68 114.99 1pm9 s LEU 7 Ca 0.61 1.79 0.05 0.00 -1.03 0.00 0.00 54.13 55.55 1pm9 s LEU 7 Cb -0.11 -4.54 0.31 0.00 0.03 0.00 0.00 46.19 41.89 1pm9 s LEU 7 CO 0.25 -0.78 1.04 -0.81 0.23 0.00 0.00 176.35 176.28 1pm9 n PRO 8 N -1.32 2.39 -3.59 1.29 -0.04 -1.26 -4.85 135.00 127.62 1pm9 n PRO 8 Ca 0.08 -1.22 -0.08 0.00 -0.04 0.00 0.00 63.50 62.24 1pm9 n PRO 8 Cb 0.53 -1.76 -0.02 0.00 -0.04 0.00 0.00 33.50 32.22 1pm9 n PRO 8 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1pm9 s TYR 9 N -1.64 -0.32 0.90 0.54 -0.85 -1.26 -5.05 117.35 109.68 1pm9 s TYR 9 Ca 0.21 0.09 -0.11 0.00 -0.52 0.00 0.00 57.07 56.74 1pm9 s TYR 9 Cb 0.17 0.59 0.13 0.00 0.38 0.00 0.00 41.96 43.23 1pm9 s TYR 9 CO 0.06 -0.76 1.10 -0.51 -1.52 0.00 0.00 175.55 173.92 1pm9 s ASP 10 N -2.71 3.27 0.51 -0.18 1.01 -1.26 -4.91 116.67 112.40 1pm9 s ASP 10 Ca 0.07 1.80 0.18 0.00 0.71 0.00 0.00 52.55 55.30 1pm9 s ASP 10 Cb -0.02 -2.41 1.27 0.00 1.01 0.00 0.00 42.92 42.78 1pm9 s ASP 10 CO -0.05 -2.82 2.11 1.88 0.21 0.00 0.00 175.17 176.50 1pm9 h TYR 11 N -1.67 0.04 -0.65 4.23 0.05 -1.96 -2.09 116.97 114.92 1pm9 h TYR 11 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 1pm9 h TYR 11 Cb 1.27 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.00 1pm9 h TYR 11 CO 0.47 0.02 0.00 0.41 -1.05 0.00 0.00 178.16 178.01 1pm9 n GLY 12 N -1.56 2.70 0.27 3.88 0.00 -1.26 -4.05 105.19 105.17 1pm9 n GLY 12 Ca 0.00 -0.80 0.18 0.00 0.00 0.00 0.00 46.02 45.40 1pm9 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pm9 h ALA 13 N 3.96 1.00 -0.40 4.61 0.00 -1.72 -2.63 119.26 124.08 1pm9 h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pm9 h ALA 13 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1pm9 h ALA 13 CO 0.12 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.65 1pm9 n LEU 14 N -2.93 3.51 -4.77 0.00 4.77 -1.26 -4.35 117.00 111.96 1pm9 n LEU 14 Ca -0.00 -1.52 -0.34 0.00 -0.03 0.00 0.00 56.01 54.12 1pm9 n LEU 14 Cb 0.22 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1pm9 n LEU 14 CO 0.23 0.76 0.76 -1.61 -1.33 0.00 0.00 177.39 176.20 1pm9 s GLU 15 N -1.48 3.05 0.00 3.23 2.02 -0.99 -1.52 118.70 123.02 1pm9 s GLU 15 Ca 0.39 1.50 0.12 0.00 0.02 0.00 0.00 54.97 57.01 1pm9 s GLU 15 Cb 0.23 -1.97 0.38 0.00 0.10 0.00 0.00 34.13 32.87 1pm9 s GLU 15 CO 0.32 -1.07 1.30 -0.35 0.02 0.00 0.00 175.26 175.49 1pm9 n PRO 16 N -1.89 1.76 -0.04 0.39 -0.04 -1.26 -4.87 135.00 129.04 1pm9 n PRO 16 Ca 0.11 -1.17 -0.15 0.00 -0.04 0.00 0.00 63.50 62.25 1pm9 n PRO 16 Cb 0.51 -1.28 -0.08 0.00 -0.04 0.00 0.00 33.50 32.61 1pm9 n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1pm9 h HIS 17 N 1.97 0.66 -3.30 0.54 3.86 -1.62 -3.41 115.15 113.86 1pm9 h HIS 17 Ca 0.00 -0.27 -0.51 0.00 -1.16 0.00 0.00 60.37 58.43 1pm9 h HIS 17 Cb 0.45 -0.11 -0.39 0.00 1.06 0.00 0.00 27.41 28.42 1pm9 h HIS 17 CO 0.20 1.02 -0.78 0.42 0.86 0.00 0.00 177.93 179.66 1pm9 s ILE 18 N -3.80 0.74 0.83 2.45 1.01 -0.82 -4.77 121.20 116.84 1pm9 s ILE 18 Ca -0.13 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 59.97 1pm9 s ILE 18 Cb 0.06 -1.03 0.09 0.00 0.01 0.00 0.00 42.46 41.59 1pm9 s ILE 18 CO 0.81 0.04 1.10 0.54 0.00 0.00 0.00 174.94 177.43 1pm9 s ASN 19 N 1.79 3.90 0.22 3.58 2.20 -1.26 -3.30 114.94 122.07 1pm9 s ASN 19 Ca 0.01 1.84 -0.09 0.00 -0.94 0.00 0.00 52.86 53.69 1pm9 s ASN 19 Cb -0.15 -2.47 0.20 0.00 -2.00 0.00 0.00 41.25 36.83 1pm9 s ASN 19 CO -0.07 -2.42 1.90 0.00 -2.94 0.00 0.00 177.10 173.56 1pm9 h ALA 20 N -1.40 1.07 -0.85 3.54 0.00 -1.89 -2.30 119.26 117.43 1pm9 h ALA 20 Ca -0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1pm9 h ALA 20 Cb 1.25 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1pm9 h ALA 20 CO 0.50 0.46 0.42 0.37 0.00 0.00 0.00 179.25 181.00 1pm9 h GLN 21 N 1.13 1.22 -0.17 0.00 4.15 -1.93 0.11 115.11 119.62 1pm9 h GLN 21 Ca 0.31 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1pm9 h GLN 21 Cb -0.11 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.35 1pm9 h GLN 21 CO -0.07 0.93 0.08 0.82 -1.93 0.00 0.00 178.83 178.65 1pm9 h ILE 22 N 1.21 1.14 -0.14 2.39 2.04 -1.87 -1.20 117.51 121.09 1pm9 h ILE 22 Ca 0.29 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1pm9 h ILE 22 Cb 0.11 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1pm9 h ILE 22 CO -0.04 0.14 0.05 0.24 0.00 0.00 0.00 178.15 178.54 1pm9 h MET 23 N 0.14 0.21 -0.21 2.37 2.86 -1.06 0.52 114.93 119.76 1pm9 h MET 23 Ca 0.06 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1pm9 h MET 23 Cb 0.15 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 1pm9 h MET 23 CO -0.01 0.32 -0.05 0.37 1.06 0.00 0.00 176.91 178.61 1pm9 h GLN 24 N 0.06 0.01 -0.30 1.72 4.15 -0.76 -0.12 115.11 119.86 1pm9 h GLN 24 Ca 0.05 -0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.38 1pm9 h GLN 24 Cb 0.19 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1pm9 h GLN 24 CO -0.00 0.01 -0.16 -0.07 -1.93 0.00 0.00 178.83 176.67 1pm9 h LEU 25 N 0.01 0.67 -0.62 -2.39 3.38 -1.18 -1.09 115.31 114.09 1pm9 h LEU 25 Ca 0.10 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.68 1pm9 h LEU 25 Cb 0.15 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1pm9 h LEU 25 CO -0.21 0.93 0.38 -0.74 0.09 0.00 0.00 178.44 178.89 1pm9 h HIS 26 N 0.40 0.71 0.07 1.13 2.76 -0.66 -1.34 115.15 118.21 1pm9 h HIS 26 Ca 0.07 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1pm9 h HIS 26 Cb 0.69 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1pm9 h HIS 26 CO 0.06 0.40 -0.03 1.25 -1.30 0.00 0.00 177.93 178.31 1pm9 h HIS 27 N 0.74 -0.09 0.00 5.26 -0.00 -1.01 -1.02 115.15 119.04 1pm9 h HIS 27 Ca 0.25 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.61 1pm9 h HIS 27 Cb 0.03 0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.46 1pm9 h HIS 27 CO -0.05 -0.05 -0.05 0.66 -0.00 0.00 0.00 177.93 178.43 1pm9 h SER 28 N -0.37 0.00 0.00 3.26 4.64 -1.30 -2.86 113.55 116.93 1pm9 h SER 28 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1pm9 h SER 28 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1pm9 h SER 28 CO 0.02 0.05 -0.36 0.29 -0.87 0.00 0.00 176.83 175.95 1pm9 n LYS 29 N -3.27 0.19 0.00 4.77 4.76 -0.56 -4.47 118.16 119.58 1pm9 n LYS 29 Ca -0.01 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1pm9 n LYS 29 Cb 0.23 -0.77 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 1pm9 n LYS 29 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1pm9 n ASN 30 N -3.59 0.00 -0.15 4.39 4.05 -0.88 -1.16 115.26 117.91 1pm9 n ASN 30 Ca -0.05 0.89 -0.03 0.00 0.45 0.00 0.00 54.58 55.84 1pm9 n ASN 30 Cb 0.19 -0.39 0.05 0.00 1.23 0.00 0.00 39.78 40.86 1pm9 n ASN 30 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 177.26 173.47 1pm9 h HIS 31 N 0.00 -0.06 -0.90 1.20 2.76 -1.19 -0.85 115.15 116.10 1pm9 h HIS 31 Ca 0.00 0.04 0.13 0.00 -2.20 0.00 0.00 60.37 58.34 1pm9 h HIS 31 Cb 0.00 0.10 -0.09 0.00 1.55 0.00 0.00 27.41 28.98 1pm9 h HIS 31 CO -0.06 -0.12 0.52 0.00 -1.30 0.00 0.00 177.93 176.97 1pm9 h ALA 32 N 1.44 1.36 -0.39 5.26 0.00 -1.51 -1.22 119.26 124.19 1pm9 h ALA 32 Ca 0.24 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1pm9 h ALA 32 Cb 0.36 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1pm9 h ALA 32 CO -0.42 0.05 0.20 0.00 0.00 0.00 0.00 179.25 179.09 1pm9 h ALA 33 N 1.53 0.50 -0.33 0.00 0.00 0.30 -1.08 119.26 120.18 1pm9 h ALA 33 Ca 0.47 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1pm9 h ALA 33 Cb 0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1pm9 h ALA 33 CO -0.31 0.05 0.17 1.88 0.00 0.00 0.00 179.25 181.04 1pm9 h TYR 34 N 0.49 0.32 -0.74 0.00 0.05 -0.77 -1.36 116.97 114.96 1pm9 h TYR 34 Ca 0.13 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.89 1pm9 h TYR 34 Cb 0.09 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 1pm9 h TYR 34 CO -0.02 0.18 0.32 -0.39 -1.05 0.00 0.00 178.16 177.20 1pm9 h VAL 35 N 0.36 1.24 -0.05 -2.88 -1.51 -1.13 0.14 116.25 112.42 1pm9 h VAL 35 Ca 0.14 -0.74 -0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1pm9 h VAL 35 Cb 0.04 0.34 -0.00 0.00 -2.13 0.00 0.00 31.29 29.53 1pm9 h VAL 35 CO -0.09 0.30 0.03 -1.13 -1.23 0.00 0.00 177.57 175.46 1pm9 h ASN 36 N 1.07 0.06 0.44 4.19 -1.24 -0.80 -2.17 115.58 117.13 1pm9 h ASN 36 Ca 0.25 -0.04 -0.09 0.00 0.71 0.00 0.00 56.30 57.14 1pm9 h ASN 36 Cb 0.17 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 1pm9 h ASN 36 CO -0.03 0.08 -0.42 0.78 -1.29 0.00 0.00 177.43 176.56 1pm9 h ASN 37 N 0.03 0.00 -0.25 1.15 2.35 -0.95 -2.56 115.58 115.36 1pm9 h ASN 37 Ca 0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1pm9 h ASN 37 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1pm9 h ASN 37 CO -0.00 0.42 0.06 0.25 -1.65 0.00 0.00 177.43 176.51 1pm9 h LEU 38 N 0.00 0.37 -1.03 1.61 5.85 -0.44 0.24 115.31 121.91 1pm9 h LEU 38 Ca -0.00 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 1pm9 h LEU 38 Cb 0.75 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1pm9 h LEU 38 CO 0.05 0.50 0.14 0.78 -0.34 0.00 0.00 178.44 179.58 1pm9 h ASN 39 N 0.22 0.78 -0.02 1.25 2.35 -1.28 0.18 115.58 119.07 1pm9 h ASN 39 Ca 0.08 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1pm9 h ASN 39 Cb 0.27 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1pm9 h ASN 39 CO 0.00 0.76 -0.00 0.58 -1.65 0.00 0.00 177.43 177.12 1pm9 h VAL 40 N 0.81 1.25 -0.71 2.81 2.07 -1.12 -2.74 116.25 118.62 1pm9 h VAL 40 Ca 0.18 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 1pm9 h VAL 40 Cb 0.28 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1pm9 h VAL 40 CO -0.00 0.20 0.23 0.74 0.02 0.00 0.00 177.57 178.75 1pm9 h THR 41 N -0.28 1.26 -0.63 2.57 2.02 -0.29 -2.65 112.91 114.91 1pm9 h THR 41 Ca 0.00 -0.88 0.02 0.00 0.77 0.00 0.00 66.41 66.32 1pm9 h THR 41 Cb 0.32 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1pm9 h THR 41 CO 0.00 0.34 0.41 -0.33 0.37 0.00 0.00 175.52 176.31 1pm9 h GLU 42 N 1.04 0.79 -0.48 6.66 5.08 -0.63 -0.67 114.58 126.37 1pm9 h GLU 42 Ca 0.23 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1pm9 h GLU 42 Cb 0.29 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1pm9 h GLU 42 CO -0.01 0.52 0.15 1.49 -1.00 0.00 0.00 179.01 180.16 1pm9 h GLU 43 N 0.82 0.75 -0.47 2.33 4.81 -1.34 -0.72 114.58 120.76 1pm9 h GLU 43 Ca 0.24 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1pm9 h GLU 43 Cb -0.05 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1pm9 h GLU 43 CO -0.07 0.71 0.22 0.87 -0.73 0.00 0.00 179.01 180.01 1pm9 h LYS 44 N 0.65 0.65 -0.25 1.92 1.57 -1.14 -0.55 116.57 119.41 1pm9 h LYS 44 Ca 0.15 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 1pm9 h LYS 44 Cb 0.28 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1pm9 h LYS 44 CO -0.00 0.52 -0.33 -0.92 -0.57 0.00 0.00 179.45 178.14 1pm9 h TYR 45 N 0.65 0.61 -0.37 -1.35 5.03 -0.54 -1.41 116.97 119.59 1pm9 h TYR 45 Ca 0.16 -0.15 -0.09 0.00 2.58 0.00 0.00 58.73 61.23 1pm9 h TYR 45 Cb 0.08 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.21 1pm9 h TYR 45 CO 0.01 0.79 -0.12 0.37 -1.32 0.00 0.00 178.16 177.89 1pm9 h GLN 46 N 0.45 0.65 -0.23 1.82 5.75 0.35 0.14 115.11 124.04 1pm9 h GLN 46 Ca 0.05 -0.21 -0.09 0.00 -0.15 0.00 0.00 58.65 58.26 1pm9 h GLN 46 Cb 0.79 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.28 1pm9 h GLN 46 CO 0.06 0.76 -0.19 0.93 -2.65 0.00 0.00 178.83 177.74 1pm9 h GLU 47 N 0.59 0.53 -0.54 1.69 5.08 -0.88 -2.56 114.58 118.50 1pm9 h GLU 47 Ca 0.10 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1pm9 h GLU 47 Cb 0.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1pm9 h GLU 47 CO 0.04 0.84 0.10 0.00 -1.00 0.00 0.00 179.01 178.99 1pm9 h ALA 48 N 0.68 0.71 -0.11 3.43 0.00 -1.06 -2.44 119.26 120.47 1pm9 h ALA 48 Ca 0.04 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1pm9 h ALA 48 Cb 0.73 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1pm9 h ALA 48 CO 0.05 0.44 -0.03 1.25 0.00 0.00 0.00 179.25 180.96 1pm9 h LEU 49 N 0.77 -0.10 -1.82 0.00 5.85 -0.73 -0.60 115.31 118.68 1pm9 h LEU 49 Ca 0.17 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1pm9 h LEU 49 Cb 0.38 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1pm9 h LEU 49 CO 0.01 -0.03 -0.12 0.00 -0.34 0.00 0.00 178.44 177.96 1pm9 h ALA 50 N 1.11 1.19 -0.01 1.25 0.00 -1.41 -2.37 119.26 119.03 1pm9 h ALA 50 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pm9 h ALA 50 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1pm9 h ALA 50 CO -0.12 0.15 -0.44 1.63 0.00 0.00 0.00 179.25 180.47 1pm9 n LYS 51 N -3.51 0.69 -1.18 0.00 5.02 -0.86 -4.94 118.16 113.39 1pm9 n LYS 51 Ca -0.01 -0.48 -0.06 0.00 -2.02 0.00 0.00 58.31 55.73 1pm9 n LYS 51 Cb 0.26 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 1pm9 n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pm9 n GLY 52 N 1.41 0.85 3.56 0.72 0.00 -0.43 -4.95 105.19 106.35 1pm9 n GLY 52 Ca 0.09 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1pm9 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pm9 s ASP 53 N -2.89 6.57 0.24 1.61 -1.08 -0.37 -4.83 116.67 115.93 1pm9 s ASP 53 Ca 0.00 -1.65 -0.02 0.00 -0.52 0.00 0.00 52.55 50.36 1pm9 s ASP 53 Cb 0.00 -2.57 0.26 0.00 -1.46 0.00 0.00 42.92 39.16 1pm9 s ASP 53 CO 0.00 -1.44 1.66 0.58 0.52 0.00 0.00 175.17 176.49 1pm9 h VAL 54 N 6.55 1.27 -0.49 1.11 2.07 -1.93 -2.32 116.25 122.51 1pm9 h VAL 54 Ca 0.25 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1pm9 h VAL 54 Cb 0.98 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1pm9 h VAL 54 CO 1.43 0.44 0.32 0.74 0.02 0.00 0.00 177.57 180.51 1pm9 h THR 55 N 0.57 1.14 -0.46 2.57 2.02 -1.98 -0.77 112.91 116.00 1pm9 h THR 55 Ca 0.08 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1pm9 h THR 55 Cb 0.73 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1pm9 h THR 55 CO 0.06 0.13 0.24 0.00 0.37 0.00 0.00 175.52 176.32 1pm9 h ALA 56 N 1.17 0.59 -0.60 6.16 0.00 -1.93 -0.17 119.26 124.48 1pm9 h ALA 56 Ca 0.18 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1pm9 h ALA 56 Cb -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1pm9 h ALA 56 CO -0.04 0.14 0.35 1.96 0.00 0.00 0.00 179.25 181.66 1pm9 h GLN 57 N 0.60 0.66 -0.37 0.00 4.20 -1.08 -1.13 115.11 118.00 1pm9 h GLN 57 Ca 0.16 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.70 1pm9 h GLN 57 Cb 0.09 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1pm9 h GLN 57 CO -0.02 0.44 -0.28 0.82 -0.67 0.00 0.00 178.83 179.11 1pm9 h ILE 58 N 0.68 1.28 0.00 2.54 2.04 -0.82 -2.82 117.51 120.41 1pm9 h ILE 58 Ca 0.25 -1.42 -0.04 0.00 1.00 0.00 0.00 64.86 64.65 1pm9 h ILE 58 Cb 0.07 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1pm9 h ILE 58 CO -0.12 0.47 -0.18 0.00 0.00 0.00 0.00 178.15 178.31 1pm9 h ALA 59 N 1.02 1.14 0.00 1.87 0.00 -0.55 -2.75 119.26 120.00 1pm9 h ALA 59 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1pm9 h ALA 59 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1pm9 h ALA 59 CO 0.07 0.23 -0.34 1.28 0.00 0.00 0.00 179.25 180.48 1pm9 n LEU 60 N -3.52 0.38 -0.13 0.00 4.77 -0.47 -4.37 117.00 113.66 1pm9 n LEU 60 Ca -0.01 0.19 -0.05 0.00 -0.03 0.00 0.00 56.01 56.11 1pm9 n LEU 60 Cb 0.34 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1pm9 n LEU 60 CO 0.32 0.06 0.96 1.56 -1.33 0.00 0.00 177.39 178.96 1pm9 h GLN 61 N 0.00 0.33 -0.68 3.23 4.20 -1.34 -1.48 115.11 119.36 1pm9 h GLN 61 Ca 0.00 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.74 1pm9 h GLN 61 Cb 0.53 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 1pm9 h GLN 61 CO 0.00 0.22 0.40 -1.35 -0.67 0.00 0.00 178.83 177.43 1pm9 h PRO 62 N 0.34 0.73 -0.56 1.46 0.11 -1.80 0.56 132.00 132.84 1pm9 h PRO 62 Ca 0.19 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.15 1pm9 h PRO 62 Cb 0.16 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1pm9 h PRO 62 CO -0.18 0.48 -0.06 0.00 -0.21 0.00 0.00 178.00 178.04 1pm9 h ALA 63 N 1.33 0.83 -0.20 -0.75 0.00 -1.77 -0.36 119.26 118.34 1pm9 h ALA 63 Ca 0.29 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1pm9 h ALA 63 Cb 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1pm9 h ALA 63 CO -0.15 0.66 -0.06 1.25 0.00 0.00 0.00 179.25 180.95 1pm9 h LEU 64 N 0.92 0.40 -0.55 0.00 7.12 -0.77 -1.50 115.31 120.93 1pm9 h LEU 64 Ca 0.15 -0.38 -0.10 0.00 0.13 0.00 0.00 57.88 57.69 1pm9 h LEU 64 Cb 0.61 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.61 1pm9 h LEU 64 CO 0.04 0.69 -0.03 0.50 -0.13 0.00 0.00 178.44 179.51 1pm9 h LYS 65 N 0.11 0.98 0.40 1.25 3.64 -0.85 0.46 116.57 122.57 1pm9 h LYS 65 Ca 0.05 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 1pm9 h LYS 65 Cb 0.52 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1pm9 h LYS 65 CO 0.02 1.00 -0.19 0.35 -2.27 0.00 0.00 179.45 178.36 1pm9 h PHE 66 N 0.86 -0.50 0.07 1.91 3.57 -1.05 0.13 116.94 121.94 1pm9 h PHE 66 Ca 0.15 -0.01 -0.27 0.00 3.53 0.00 0.00 57.97 61.37 1pm9 h PHE 66 Cb 0.58 0.16 0.01 0.00 2.79 0.00 0.00 35.95 39.50 1pm9 h PHE 66 CO 0.04 -0.19 -1.13 -0.91 -2.23 0.00 0.00 178.31 173.89 1pm9 h ASN 67 N -0.78 0.67 -0.26 0.41 4.21 -1.32 -0.05 115.58 118.46 1pm9 h ASN 67 Ca -0.05 -0.60 -0.03 0.00 1.21 0.00 0.00 56.30 56.83 1pm9 h ASN 67 Cb 0.53 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 1pm9 h ASN 67 CO 0.09 1.42 0.06 1.23 -1.29 0.00 0.00 177.43 178.94 1pm9 h GLY 68 N 0.89 0.45 1.00 2.83 0.00 -0.16 -0.31 103.07 107.77 1pm9 h GLY 68 Ca -0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1pm9 h GLY 68 CO 0.20 0.27 0.33 -1.33 0.00 0.00 0.00 176.54 176.01 1pm9 h GLY 69 N 0.25 0.97 0.76 4.60 0.00 -0.77 -1.28 103.07 107.60 1pm9 h GLY 69 Ca 0.08 -0.46 0.06 0.00 0.00 0.00 0.00 47.33 47.02 1pm9 h GLY 69 CO 0.00 0.43 0.65 -1.33 0.00 0.00 0.00 176.54 176.30 1pm9 h GLY 70 N 0.87 1.52 0.76 4.60 0.00 -0.60 0.22 103.07 110.44 1pm9 h GLY 70 Ca 0.22 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1pm9 h GLY 70 CO -0.03 0.35 -0.01 0.84 0.00 0.00 0.00 176.54 177.69 1pm9 h HIS 71 N 1.19 0.26 0.25 5.60 6.17 -0.53 -2.59 115.15 125.51 1pm9 h HIS 71 Ca 0.43 -0.05 -0.01 0.00 0.71 0.00 0.00 60.37 61.45 1pm9 h HIS 71 Cb 0.14 -0.07 -0.00 0.00 2.52 0.00 0.00 27.41 30.00 1pm9 h HIS 71 CO -0.00 0.50 -0.15 0.82 0.71 0.00 0.00 177.93 179.81 1pm9 h ILE 72 N -0.04 0.68 0.10 6.26 2.04 -0.63 -1.87 117.51 124.05 1pm9 h ILE 72 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1pm9 h ILE 72 Cb 0.40 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1pm9 h ILE 72 CO 0.01 0.00 -0.08 0.78 0.00 0.00 0.00 178.15 178.86 1pm9 h ASN 73 N -0.39 -0.21 -0.01 1.72 2.35 -0.63 -2.60 115.58 115.81 1pm9 h ASN 73 Ca -0.03 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 1pm9 h ASN 73 Cb 0.32 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1pm9 h ASN 73 CO 0.03 -0.13 -0.29 0.45 -1.65 0.00 0.00 177.43 175.84 1pm9 h HIS 74 N -0.19 0.51 -0.72 1.19 3.86 -1.49 -0.45 115.15 117.86 1pm9 h HIS 74 Ca -0.00 -0.12 0.01 0.00 -1.16 0.00 0.00 60.37 59.11 1pm9 h HIS 74 Cb 0.18 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.49 1pm9 h HIS 74 CO -0.10 0.70 0.47 0.77 0.86 0.00 0.00 177.93 180.63 1pm9 h SER 75 N 0.39 0.80 -0.32 2.45 0.02 -1.22 -1.36 113.55 114.31 1pm9 h SER 75 Ca 0.05 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 1pm9 h SER 75 Cb 0.71 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1pm9 h SER 75 CO 0.05 0.57 -0.12 0.40 -1.14 0.00 0.00 176.83 176.60 1pm9 h ILE 76 N 0.95 1.29 -0.64 3.27 2.04 -1.20 -3.25 117.51 119.96 1pm9 h ILE 76 Ca 0.27 -1.20 0.09 0.00 1.00 0.00 0.00 64.86 65.02 1pm9 h ILE 76 Cb -0.08 1.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.33 1pm9 h ILE 76 CO -0.07 0.39 0.28 0.15 0.00 0.00 0.00 178.15 178.90 1pm9 h PHE 77 N 0.41 0.49 -0.77 1.37 3.57 -0.52 -2.25 116.94 119.25 1pm9 h PHE 77 Ca 0.08 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1pm9 h PHE 77 Cb 0.63 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 1pm9 h PHE 77 CO 0.06 0.15 0.48 -1.49 -2.23 0.00 0.00 178.31 175.28 1pm9 h TRP 78 N 0.49 0.91 0.00 0.41 -0.00 -1.30 -1.74 115.95 114.72 1pm9 h TRP 78 Ca 0.32 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.24 1pm9 h TRP 78 Cb 0.37 -0.30 0.00 0.00 -0.00 0.00 0.00 29.16 29.23 1pm9 h TRP 78 CO -0.14 0.51 0.00 1.79 -0.00 0.00 0.00 178.44 180.60 1pm9 h THR 79 N 0.93 0.00 0.00 1.49 1.35 -1.50 -2.97 112.91 112.21 1pm9 h THR 79 Ca 0.31 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1pm9 h THR 79 Cb 0.04 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1pm9 h THR 79 CO -0.12 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.74 1pm9 n ASN 80 N -2.94 0.13 -4.60 5.36 5.03 -0.66 -4.68 115.26 112.90 1pm9 n ASN 80 Ca 0.02 0.51 -0.24 0.00 0.87 0.00 0.00 54.58 55.74 1pm9 n ASN 80 Cb 0.36 -0.55 -0.08 0.00 -1.02 0.00 0.00 39.78 38.49 1pm9 n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1pm9 s LEU 81 N -3.24 3.03 -0.26 3.41 1.43 -1.12 0.86 118.68 122.79 1pm9 s LEU 81 Ca 0.13 -0.70 -0.26 0.00 -1.03 0.00 0.00 54.13 52.27 1pm9 s LEU 81 Cb 0.17 -1.59 0.14 0.00 0.03 0.00 0.00 46.19 44.94 1pm9 s LEU 81 CO 0.52 0.03 1.14 -0.55 0.23 0.00 0.00 176.35 177.72 1pm9 s SER 82 N -3.45 -0.32 0.23 2.29 0.15 0.12 -4.60 113.70 108.13 1pm9 s SER 82 Ca 0.30 0.55 0.20 0.00 0.70 0.00 0.00 55.95 57.70 1pm9 s SER 82 Cb -0.07 0.54 0.93 0.00 -1.71 0.00 0.00 66.02 65.71 1pm9 s SER 82 CO 0.18 -0.15 1.62 -0.81 1.20 0.00 0.00 173.24 175.28 1pm9 n PRO 83 N 1.67 0.14 -0.25 5.44 -0.04 -1.26 -1.43 135.00 139.27 1pm9 n PRO 83 Ca -0.11 0.48 0.06 0.00 -0.04 0.00 0.00 63.50 63.90 1pm9 n PRO 83 Cb 0.57 -1.83 0.18 0.00 -0.04 0.00 0.00 33.50 32.38 1pm9 n PRO 83 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1pm9 n ASN 84 N -2.12 3.20 -1.82 3.54 3.02 -1.26 -4.99 115.26 114.83 1pm9 n ASN 84 Ca 0.01 -2.23 0.00 0.00 -0.03 0.00 0.00 54.58 52.33 1pm9 n ASN 84 Cb 0.15 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1pm9 n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pm9 n GLY 85 N 0.34 0.62 3.24 7.41 0.00 -0.52 -5.02 105.19 111.26 1pm9 n GLY 85 Ca 0.14 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1pm9 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pm9 n GLY 86 N 5.00 -1.84 5.32 -0.02 0.00 0.30 -4.63 105.19 109.32 1pm9 n GLY 86 Ca 0.00 -1.75 0.03 0.00 0.00 0.00 0.00 46.02 44.30 1pm9 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pm9 n GLY 87 N 0.00 -1.56 3.84 -0.02 0.00 -1.26 -4.78 105.19 101.42 1pm9 n GLY 87 Ca 0.00 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 1pm9 n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pm9 s GLU 88 N -0.49 3.91 0.65 1.61 2.12 -1.26 -5.01 118.70 120.23 1pm9 s GLU 88 Ca 0.00 0.39 -0.15 0.00 0.36 0.00 0.00 54.97 55.57 1pm9 s GLU 88 Cb 0.00 -3.16 -0.01 0.00 0.26 0.00 0.00 34.13 31.22 1pm9 s GLU 88 CO 0.00 0.65 1.10 -1.25 -0.54 0.00 0.00 175.26 175.22 1pm9 s PRO 89 N -1.28 2.91 0.11 4.30 0.04 -1.26 -5.06 135.00 134.75 1pm9 s PRO 89 Ca 0.26 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1pm9 s PRO 89 Cb -0.16 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 1pm9 s PRO 89 CO 0.15 -1.16 0.00 1.17 0.04 0.00 0.00 177.00 177.20 1pm9 n LYS 90 N -2.37 1.62 0.00 4.56 3.00 -1.26 -4.58 118.16 119.12 1pm9 n LYS 90 Ca 0.10 -0.78 0.00 0.00 -0.00 0.00 0.00 58.31 57.63 1pm9 n LYS 90 Cb 0.52 0.24 0.00 0.00 0.00 0.00 0.00 35.03 35.79 1pm9 n LYS 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pm9 n GLY 91 N 3.42 0.05 0.34 3.14 0.00 -1.26 -3.17 105.19 107.71 1pm9 n GLY 91 Ca -0.04 -1.00 0.02 0.00 0.00 0.00 0.00 46.02 44.99 1pm9 n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pm9 h GLU 92 N 0.00 0.86 -0.39 1.61 5.08 -1.98 -2.39 114.58 117.37 1pm9 h GLU 92 Ca 0.00 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1pm9 h GLU 92 Cb 0.00 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.00 1pm9 h GLU 92 CO 0.00 0.57 0.05 1.25 -1.00 0.00 0.00 179.01 179.89 1pm9 h LEU 93 N 0.89 -0.04 -0.53 1.33 5.85 -1.95 0.36 115.31 121.22 1pm9 h LEU 93 Ca 0.24 0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.04 1pm9 h LEU 93 Cb -0.10 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1pm9 h LEU 93 CO -0.05 0.01 0.35 0.25 -0.34 0.00 0.00 178.44 178.66 1pm9 h LEU 94 N 0.17 0.60 -1.39 2.25 5.85 -1.40 -1.22 115.31 120.17 1pm9 h LEU 94 Ca 0.19 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1pm9 h LEU 94 Cb 0.24 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1pm9 h LEU 94 CO -0.27 0.43 0.03 -0.33 -0.34 0.00 0.00 178.44 177.96 1pm9 h GLU 95 N 0.71 0.43 -0.36 1.25 4.39 -0.75 -1.78 114.58 118.46 1pm9 h GLU 95 Ca 0.19 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.66 1pm9 h GLU 95 Cb -0.08 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1pm9 h GLU 95 CO -0.05 0.44 -0.40 0.00 -1.16 0.00 0.00 179.01 177.84 1pm9 h ALA 96 N 1.62 0.54 -0.76 3.43 0.00 0.30 -2.72 119.26 121.67 1pm9 h ALA 96 Ca 0.10 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1pm9 h ALA 96 Cb 0.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1pm9 h ALA 96 CO 0.00 0.66 0.29 0.82 0.00 0.00 0.00 179.25 181.02 1pm9 h ILE 97 N 0.73 1.26 -0.24 0.00 2.04 -0.76 -2.17 117.51 118.37 1pm9 h ILE 97 Ca 0.05 -0.82 -0.10 0.00 1.00 0.00 0.00 64.86 64.99 1pm9 h ILE 97 Cb 1.00 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1pm9 h ILE 97 CO 0.10 0.33 -0.27 0.11 0.00 0.00 0.00 178.15 178.42 1pm9 h LYS 98 N 1.11 0.46 0.18 2.37 1.57 -1.29 0.59 116.57 121.56 1pm9 h LYS 98 Ca 0.25 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1pm9 h LYS 98 Cb 0.23 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1pm9 h LYS 98 CO -0.02 0.70 -0.09 -0.09 -0.57 0.00 0.00 179.45 179.38 1pm9 h ARG 99 N 0.41 -0.23 0.00 3.15 2.43 -1.17 -0.08 114.38 118.88 1pm9 h ARG 99 Ca 0.06 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1pm9 h ARG 99 Cb 0.69 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1pm9 h ARG 99 CO 0.05 0.08 -0.41 -0.25 -1.51 0.00 0.00 179.97 177.93 1pm9 n ASP 100 N -5.06 0.62 0.00 -3.80 8.00 -0.84 -4.32 116.55 111.15 1pm9 n ASP 100 Ca -0.09 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1pm9 n ASP 100 Cb 0.22 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1pm9 n ASP 100 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1pm9 n PHE 101 N -1.98 0.00 0.00 1.24 3.72 0.19 -5.03 117.46 115.60 1pm9 n PHE 101 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1pm9 n PHE 101 Cb 0.41 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 1pm9 n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pm9 n GLY 102 N 0.90 2.98 3.74 1.37 0.00 -0.04 -4.55 105.19 109.59 1pm9 n GLY 102 Ca 0.00 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 1pm9 n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pm9 s SER 103 N 0.00 -0.16 0.17 1.61 1.04 -1.26 -4.61 113.70 110.50 1pm9 s SER 103 Ca 0.00 -0.78 -0.09 0.00 0.48 0.00 0.00 55.95 55.56 1pm9 s SER 103 Cb 0.00 0.68 0.05 0.00 0.10 0.00 0.00 66.02 66.84 1pm9 s SER 103 CO 0.00 -1.28 1.60 0.15 0.98 0.00 0.00 173.24 174.68 1pm9 h PHE 104 N 2.10 1.15 -0.86 5.02 -0.00 -1.91 -2.05 116.94 120.40 1pm9 h PHE 104 Ca -0.23 -0.24 -0.03 0.00 -0.00 0.00 0.00 57.97 57.47 1pm9 h PHE 104 Cb 1.25 -0.28 -0.04 0.00 -0.00 0.00 0.00 35.95 36.88 1pm9 h PHE 104 CO 0.48 1.07 0.42 -0.44 -0.00 0.00 0.00 178.31 179.84 1pm9 h ASP 105 N 0.91 1.12 -0.34 0.41 3.32 -1.97 -0.08 116.42 119.79 1pm9 h ASP 105 Ca 0.14 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 1pm9 h ASP 105 Cb 0.69 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1pm9 h ASP 105 CO 0.05 0.94 -0.15 0.11 -1.72 0.00 0.00 179.24 178.47 1pm9 h LYS 106 N 1.22 0.80 -0.30 3.56 1.57 -1.83 -1.65 116.57 119.94 1pm9 h LYS 106 Ca 0.30 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1pm9 h LYS 106 Cb 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1pm9 h LYS 106 CO -0.04 0.90 0.15 0.35 -0.57 0.00 0.00 179.45 180.24 1pm9 h PHE 107 N 0.71 0.43 -0.35 -1.35 3.57 -0.74 -0.50 116.94 118.71 1pm9 h PHE 107 Ca 0.11 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1pm9 h PHE 107 Cb 0.65 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1pm9 h PHE 107 CO 0.03 0.37 0.16 0.87 -2.23 0.00 0.00 178.31 177.51 1pm9 h LYS 108 N 0.36 0.32 -0.90 1.11 1.57 -0.81 0.02 116.57 118.24 1pm9 h LYS 108 Ca 0.10 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1pm9 h LYS 108 Cb 0.10 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 1pm9 h LYS 108 CO -0.01 0.21 0.60 0.93 -0.57 0.00 0.00 179.45 180.60 1pm9 h GLU 109 N 0.33 1.17 0.01 3.15 5.08 -1.04 0.18 114.58 123.45 1pm9 h GLU 109 Ca 0.15 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1pm9 h GLU 109 Cb 0.09 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1pm9 h GLU 109 CO -0.13 0.77 -0.00 0.87 -1.00 0.00 0.00 179.01 179.52 1pm9 h LYS 110 N 1.20 -0.01 -0.32 2.33 1.79 -0.36 -1.07 116.57 120.13 1pm9 h LYS 110 Ca 0.34 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.72 1pm9 h LYS 110 Cb -0.11 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 1pm9 h LYS 110 CO -0.08 0.20 -0.17 1.25 -1.08 0.00 0.00 179.45 179.57 1pm9 h LEU 111 N -0.21 0.57 -0.61 2.94 5.85 -0.80 -1.63 115.31 121.42 1pm9 h LEU 111 Ca -0.00 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1pm9 h LEU 111 Cb 0.21 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1pm9 h LEU 111 CO 0.00 0.76 0.30 0.74 -0.34 0.00 0.00 178.44 179.90 1pm9 h THR 112 N 0.52 1.21 -0.19 1.05 2.02 -0.53 -1.01 112.91 115.99 1pm9 h THR 112 Ca 0.09 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 1pm9 h THR 112 Cb 0.59 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1pm9 h THR 112 CO 0.04 0.24 0.05 0.00 0.37 0.00 0.00 175.52 176.22 1pm9 h ALA 113 N 1.13 0.24 -0.88 6.16 0.00 -0.83 0.15 119.26 125.24 1pm9 h ALA 113 Ca 0.21 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1pm9 h ALA 113 Cb 0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1pm9 h ALA 113 CO -0.03 -0.12 0.58 0.00 0.00 0.00 0.00 179.25 179.68 1pm9 h ALA 114 N 0.86 1.11 -0.15 0.00 0.00 -1.21 -0.08 119.26 119.80 1pm9 h ALA 114 Ca 0.06 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1pm9 h ALA 114 Cb 0.26 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1pm9 h ALA 114 CO -0.00 0.51 -0.24 0.77 0.00 0.00 0.00 179.25 180.29 1pm9 h SER 115 N 1.18 0.47 0.82 0.00 0.02 -1.00 -3.18 113.55 111.86 1pm9 h SER 115 Ca 0.32 -0.53 -0.06 0.00 -0.84 0.00 0.00 61.79 60.68 1pm9 h SER 115 Cb -0.13 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1pm9 h SER 115 CO -0.07 0.91 -0.27 0.58 -1.14 0.00 0.00 176.83 176.84 1pm9 h VAL 116 N 0.04 0.69 0.00 2.27 2.07 -0.55 -3.08 116.25 117.68 1pm9 h VAL 116 Ca 0.01 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1pm9 h VAL 116 Cb 0.82 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1pm9 h VAL 116 CO 0.06 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.52 1pm9 n GLY 117 N 0.07 -1.41 3.66 2.17 0.00 -0.06 -4.83 105.19 104.79 1pm9 n GLY 117 Ca -0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1pm9 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pm9 s VAL 118 N -3.03 3.28 -0.20 1.61 1.01 -1.17 -4.95 120.40 116.96 1pm9 s VAL 118 Ca 0.12 0.33 -0.27 0.00 0.00 0.00 0.00 61.98 62.16 1pm9 s VAL 118 Cb 0.16 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 1pm9 s VAL 118 CO 0.47 -0.04 0.93 -1.10 0.00 0.00 0.00 175.10 175.37 1pm9 s GLN 119 N 4.36 4.28 2.32 2.72 -0.21 -1.26 -4.81 119.66 127.06 1pm9 s GLN 119 Ca 0.82 1.18 0.00 0.00 0.02 0.00 0.00 55.36 57.38 1pm9 s GLN 119 Cb -0.38 -3.61 0.00 0.00 1.00 0.00 0.00 33.01 30.02 1pm9 s GLN 119 CO 0.36 -0.48 0.00 0.41 -2.12 0.00 0.00 175.29 173.46 1pm9 n GLY 120 N 3.42 -0.31 3.84 3.09 0.00 -1.26 -4.87 105.19 109.10 1pm9 n GLY 120 Ca 0.08 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 1pm9 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pm9 s SER 121 N -4.00 6.89 0.00 1.61 0.01 -1.26 -4.85 113.70 112.10 1pm9 s SER 121 Ca 0.00 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.44 1pm9 s SER 121 Cb 0.00 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1pm9 s SER 121 CO 0.00 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1pm9 n GLY 122 N 0.75 -1.14 3.01 3.44 0.00 -1.26 -0.44 105.19 109.56 1pm9 n GLY 122 Ca -0.04 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 1pm9 n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pm9 s TRP 123 N -3.00 0.48 -0.05 1.61 0.52 0.33 -1.28 118.94 117.55 1pm9 s TRP 123 Ca 0.00 -0.39 -0.01 0.00 0.02 0.00 0.00 56.10 55.72 1pm9 s TRP 123 Cb 0.00 -0.30 -0.04 0.00 -1.15 0.00 0.00 33.47 31.98 1pm9 s TRP 123 CO 0.00 -0.09 0.03 0.20 0.02 0.00 0.00 176.95 177.12 1pm9 s GLY 124 N -1.15 1.93 0.00 0.98 0.00 -0.31 -0.67 107.32 108.10 1pm9 s GLY 124 Ca -0.08 -0.83 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 1pm9 s GLY 124 CO -0.00 -0.64 0.01 -0.98 0.00 0.00 0.00 173.10 171.48 1pm9 s TRP 125 N -1.01 0.09 -0.26 1.90 0.52 0.77 -0.11 118.94 120.83 1pm9 s TRP 125 Ca 0.17 -0.17 -0.07 0.00 0.02 0.00 0.00 56.10 56.04 1pm9 s TRP 125 Cb -0.12 -0.07 -0.02 0.00 -1.15 0.00 0.00 33.47 32.12 1pm9 s TRP 125 CO 0.07 -0.09 0.07 -1.17 0.02 0.00 0.00 176.95 175.85 1pm9 s LEU 126 N -0.60 3.55 0.34 2.99 2.96 0.56 -1.45 118.68 127.03 1pm9 s LEU 126 Ca -0.07 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 1pm9 s LEU 126 Cb -0.04 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 1pm9 s LEU 126 CO -0.00 -0.08 0.10 -0.83 -1.32 0.00 0.00 176.35 174.22 1pm9 s GLY 127 N 1.59 2.21 -0.14 7.98 0.00 0.86 -0.96 107.32 118.86 1pm9 s GLY 127 Ca 0.06 -1.71 -0.02 0.00 0.00 0.00 0.00 44.72 43.05 1pm9 s GLY 127 CO 0.03 -1.77 -0.09 -0.12 0.00 0.00 0.00 173.10 171.16 1pm9 s PHE 128 N -3.37 2.91 -0.46 1.90 5.36 0.19 -0.64 117.98 123.87 1pm9 s PHE 128 Ca 0.32 -0.48 -0.20 0.00 -0.96 0.00 0.00 56.93 55.61 1pm9 s PHE 128 Cb 0.06 -1.90 0.04 0.00 -0.34 0.00 0.00 43.02 40.88 1pm9 s PHE 128 CO 0.15 -0.13 0.62 1.21 -1.46 0.00 0.00 175.22 175.61 1pm9 s ASN 129 N 0.36 6.27 0.26 6.13 3.84 0.39 -1.41 114.94 130.78 1pm9 s ASN 129 Ca -0.08 -0.58 0.05 0.00 0.21 0.00 0.00 52.86 52.46 1pm9 s ASN 129 Cb -0.15 -2.30 0.34 0.00 -0.55 0.00 0.00 41.25 38.59 1pm9 s ASN 129 CO 0.04 -0.80 1.63 0.11 -2.79 0.00 0.00 177.10 175.29 1pm9 h LYS 130 N 8.91 0.28 0.05 0.43 1.57 -1.86 -0.48 116.57 125.47 1pm9 h LYS 130 Ca -0.26 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1pm9 h LYS 130 Cb 1.10 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1pm9 h LYS 130 CO 0.91 0.71 -0.03 1.49 -0.57 0.00 0.00 179.45 181.96 1pm9 h GLU 131 N 0.22 -0.07 -0.02 3.15 4.57 -1.95 -3.23 114.58 117.25 1pm9 h GLU 131 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1pm9 h GLU 131 Cb 0.94 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 1pm9 h GLU 131 CO 0.08 0.07 -0.13 0.54 -1.18 0.00 0.00 179.01 178.39 1pm9 n ARG 132 N -5.06 1.85 -2.14 1.92 1.74 -1.23 -5.00 116.66 108.74 1pm9 n ARG 132 Ca -0.08 -1.45 -0.12 0.00 -0.77 0.00 0.00 57.85 55.43 1pm9 n ARG 132 Cb 0.11 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.07 1pm9 n ARG 132 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pm9 n GLY 133 N 1.33 0.02 3.33 -0.13 0.00 -0.21 -5.03 105.19 104.51 1pm9 n GLY 133 Ca 0.14 -0.40 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 1pm9 n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1pm9 s HIS 134 N -2.58 1.55 0.52 1.61 -3.43 -1.10 -4.98 115.29 106.88 1pm9 s HIS 134 Ca 0.00 -1.55 -0.15 0.00 -0.80 0.00 0.00 55.06 52.56 1pm9 s HIS 134 Cb 0.00 -0.54 -0.07 0.00 -1.43 0.00 0.00 32.58 30.54 1pm9 s HIS 134 CO 0.00 -0.93 0.97 -0.51 -2.00 0.00 0.00 174.74 172.27 1pm9 s LEU 135 N -3.33 3.57 -0.21 5.38 1.43 -1.26 -0.47 118.68 123.80 1pm9 s LEU 135 Ca 0.38 1.48 -0.18 0.00 -1.03 0.00 0.00 54.13 54.78 1pm9 s LEU 135 Cb 0.02 -4.44 0.05 0.00 0.03 0.00 0.00 46.19 41.86 1pm9 s LEU 135 CO 0.25 -0.62 0.54 -1.58 0.23 0.00 0.00 176.35 175.17 1pm9 s GLN 136 N -4.28 0.62 -0.04 1.70 0.74 0.19 -4.80 119.66 113.80 1pm9 s GLN 136 Ca 0.57 0.78 -0.06 0.00 0.05 0.00 0.00 55.36 56.70 1pm9 s GLN 136 Cb -0.10 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.25 1pm9 s GLN 136 CO 0.36 -0.08 0.21 0.42 -0.55 0.00 0.00 175.29 175.65 1pm9 s ILE 137 N 0.40 5.39 0.12 -2.34 1.01 -1.26 -0.10 121.20 124.43 1pm9 s ILE 137 Ca -0.01 0.12 -0.14 0.00 0.00 0.00 0.00 60.65 60.62 1pm9 s ILE 137 Cb -0.04 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 38.94 1pm9 s ILE 137 CO -0.01 0.44 0.36 0.00 0.00 0.00 0.00 174.94 175.74 1pm9 s ALA 138 N -1.21 -0.75 0.07 9.38 0.00 -0.53 -4.97 121.76 123.74 1pm9 s ALA 138 Ca 0.23 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.06 1pm9 s ALA 138 Cb -0.13 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 1pm9 s ALA 138 CO 0.13 -0.63 -0.21 0.00 0.00 0.00 0.00 175.76 175.05 1pm9 s ALA 139 N -3.83 1.78 -0.01 0.00 0.00 -1.26 -0.16 121.76 118.28 1pm9 s ALA 139 Ca 0.04 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1pm9 s ALA 139 Cb 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1pm9 s ALA 139 CO -0.11 0.38 -0.13 0.00 0.00 0.00 0.00 175.76 175.91 1pm9 s PRO 141 N -0.24 4.26 3.86 0.00 0.04 -1.26 -0.51 135.00 141.15 1pm9 s PRO 141 Ca 0.04 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1pm9 s PRO 141 Cb -0.05 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1pm9 s PRO 141 CO -0.00 0.18 0.00 0.09 0.04 0.00 0.00 177.00 177.31 1pm9 n ASN 142 N 0.00 0.00 -0.51 6.66 5.03 0.42 -1.13 115.26 125.73 1pm9 n ASN 142 Ca 0.03 0.00 0.05 0.00 0.87 0.00 0.00 54.58 55.53 1pm9 n ASN 142 Cb 0.52 0.00 0.11 0.00 -1.02 0.00 0.00 39.78 39.40 1pm9 n ASN 142 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pm9 n GLN 143 N 10.76 2.46 -1.69 3.52 1.13 -1.26 -4.13 117.38 128.18 1pm9 n GLN 143 Ca 0.00 -1.81 -0.54 0.00 -1.94 0.00 0.00 57.00 52.71 1pm9 n GLN 143 Cb 0.00 -1.22 -0.06 0.00 0.11 0.00 0.00 30.24 29.07 1pm9 n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1pm9 n ASP 144 N 0.38 2.82 -4.78 1.08 9.92 -0.28 -3.93 116.55 121.76 1pm9 n ASP 144 Ca 0.09 1.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.98 1pm9 n ASP 144 Cb 0.37 -1.24 -0.03 0.00 -0.64 0.00 0.00 41.12 39.58 1pm9 n ASP 144 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1pm9 s PRO 145 N 3.94 4.03 0.05 -0.24 0.04 -1.26 -4.63 135.00 136.93 1pm9 s PRO 145 Ca 0.97 1.63 -0.23 0.00 0.04 0.00 0.00 61.00 63.41 1pm9 s PRO 145 Cb -0.91 -2.52 -0.12 0.00 0.04 0.00 0.00 34.50 30.99 1pm9 s PRO 145 CO 0.59 -0.29 1.35 1.25 0.04 0.00 0.00 177.00 179.95 1pm9 h LEU 146 N 2.39 -0.83 -0.05 -3.56 5.85 -1.90 -2.54 115.31 114.67 1pm9 h LEU 146 Ca -0.49 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.30 1pm9 h LEU 146 Cb 1.23 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 1pm9 h LEU 146 CO 0.62 -0.46 -0.01 -0.61 -0.34 0.00 0.00 178.44 177.64 1pm9 h GLN 147 N -0.71 0.00 0.00 1.25 4.15 -1.84 0.74 115.11 118.70 1pm9 h GLN 147 Ca -0.06 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 1pm9 h GLN 147 Cb 0.59 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.28 1pm9 h GLN 147 CO 0.02 0.00 -0.01 0.78 -1.93 0.00 0.00 178.83 177.69 1pm9 h GLY 148 N 0.00 0.00 0.00 2.39 0.00 -1.87 0.83 103.07 104.43 1pm9 h GLY 148 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1pm9 h GLY 148 CO -0.04 0.00 -0.61 -1.30 0.00 0.00 0.00 176.54 174.58 1pm9 n THR 149 N -3.88 0.00 0.00 4.70 -2.24 -0.96 -4.75 114.28 107.16 1pm9 n THR 149 Ca -0.03 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1pm9 n THR 149 Cb 0.10 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 1pm9 n THR 149 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1pm9 n THR 150 N -1.32 0.00 0.00 4.28 -2.24 0.23 -5.02 114.28 110.21 1pm9 n THR 150 Ca 0.01 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1pm9 n THR 150 Cb 0.17 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1pm9 n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pm9 n GLY 151 N 1.06 1.92 3.76 3.38 0.00 0.28 -5.00 105.19 110.59 1pm9 n GLY 151 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1pm9 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pm9 s LEU 152 N 0.00 4.53 -0.20 0.99 1.43 -1.26 -4.78 118.68 119.39 1pm9 s LEU 152 Ca 0.00 2.07 -0.25 0.00 -1.03 0.00 0.00 54.13 54.92 1pm9 s LEU 152 Cb 0.00 -3.71 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 1pm9 s LEU 152 CO 0.00 -0.04 0.84 -0.63 0.23 0.00 0.00 176.35 176.74 1pm9 s ILE 153 N -1.26 4.85 0.12 -0.59 -1.09 -0.50 -2.56 121.20 120.17 1pm9 s ILE 153 Ca 0.45 1.62 -0.31 0.00 -2.23 0.00 0.00 60.65 60.18 1pm9 s ILE 153 Cb -0.27 -4.13 -0.08 0.00 -1.58 0.00 0.00 42.46 36.39 1pm9 s ILE 153 CO 0.34 -0.02 1.42 -2.16 -1.23 0.00 0.00 174.94 173.29 1pm9 s PRO 154 N 2.48 4.30 -0.12 2.79 0.04 -1.26 0.52 135.00 143.75 1pm9 s PRO 154 Ca 0.37 2.12 -0.05 0.00 0.04 0.00 0.00 61.00 63.48 1pm9 s PRO 154 Cb -0.16 -3.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.08 1pm9 s PRO 154 CO 0.10 -0.47 -0.15 1.28 0.04 0.00 0.00 177.00 177.80 1pm9 n LEU 155 N 4.01 1.12 -3.73 -3.56 4.77 -0.13 -4.90 117.00 114.56 1pm9 n LEU 155 Ca 0.12 0.13 -0.15 0.00 -0.03 0.00 0.00 56.01 56.08 1pm9 n LEU 155 Cb 0.42 -0.37 -0.15 0.00 -2.33 0.00 0.00 43.42 40.99 1pm9 n LEU 155 CO 0.59 0.31 -0.25 -0.22 -1.33 0.00 0.00 177.39 176.48 1pm9 s LEU 156 N -6.55 0.57 0.06 2.23 2.96 -0.87 -4.50 118.68 112.58 1pm9 s LEU 156 Ca -0.17 0.26 0.09 0.00 -0.22 0.00 0.00 54.13 54.09 1pm9 s LEU 156 Cb 0.06 0.25 -0.03 0.00 0.50 0.00 0.00 46.19 46.97 1pm9 s LEU 156 CO 0.22 -0.17 -0.26 -0.83 -1.32 0.00 0.00 176.35 173.99 1pm9 s GLY 157 N 1.46 1.46 -0.24 7.98 0.00 -1.26 -0.32 107.32 116.39 1pm9 s GLY 157 Ca -0.06 -1.31 0.02 0.00 0.00 0.00 0.00 44.72 43.38 1pm9 s GLY 157 CO -0.05 -1.21 -0.12 -0.42 0.00 0.00 0.00 173.10 171.30 1pm9 s ILE 158 N -0.87 2.08 -0.18 0.90 1.01 0.84 -4.89 121.20 120.10 1pm9 s ILE 158 Ca 0.13 -1.47 -0.29 0.00 0.00 0.00 0.00 60.65 59.01 1pm9 s ILE 158 Cb -0.10 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 1pm9 s ILE 158 CO 0.03 0.07 1.39 -0.62 0.00 0.00 0.00 174.94 175.81 1pm9 s ASP 159 N 1.16 6.75 -0.20 3.58 -1.08 -1.26 -1.17 116.67 124.46 1pm9 s ASP 159 Ca -0.06 1.67 0.15 0.00 -0.52 0.00 0.00 52.55 53.79 1pm9 s ASP 159 Cb -0.19 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.23 1pm9 s ASP 159 CO -0.07 -0.93 1.39 1.33 0.52 0.00 0.00 175.17 177.42 1pm9 n VAL 160 N 5.73 2.30 -2.25 1.11 0.24 -0.41 -4.83 118.33 120.22 1pm9 n VAL 160 Ca 0.15 -2.15 -0.35 0.00 -2.04 0.00 0.00 64.34 59.95 1pm9 n VAL 160 Cb 0.45 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 1pm9 n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1pm9 s TRP 161 N -2.94 2.68 0.47 6.34 0.52 -1.22 -4.38 118.94 120.41 1pm9 s TRP 161 Ca 0.41 1.54 0.18 0.00 0.02 0.00 0.00 56.10 58.26 1pm9 s TRP 161 Cb 0.35 -3.30 1.21 0.00 -1.15 0.00 0.00 33.47 30.58 1pm9 s TRP 161 CO 0.06 -1.59 2.07 0.93 0.02 0.00 0.00 176.95 178.44 1pm9 h GLU 162 N 1.26 0.00 0.00 4.98 5.08 -1.93 -2.26 114.58 121.72 1pm9 h GLU 162 Ca -0.50 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1pm9 h GLU 162 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1pm9 h GLU 162 CO 0.57 0.12 -0.01 1.12 -1.00 0.00 0.00 179.01 179.81 1pm9 h HIS 163 N 0.00 0.00 0.00 4.33 2.07 -1.98 0.43 115.15 120.01 1pm9 h HIS 163 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1pm9 h HIS 163 Cb 0.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.20 1pm9 h HIS 163 CO 0.00 0.01 0.00 0.00 -3.07 0.00 0.00 177.93 174.87 1pm9 n ALA 164 N -2.12 2.16 -0.22 6.11 0.00 -0.85 -4.50 120.51 121.10 1pm9 n ALA 164 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1pm9 n ALA 164 Cb 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1pm9 n ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1pm9 n TYR 165 N -2.24 0.00 -0.11 0.00 0.18 -0.67 -4.98 117.16 109.35 1pm9 n TYR 165 Ca 0.05 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.78 1pm9 n TYR 165 Cb 0.39 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.37 1pm9 n TYR 165 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 1pm9 h PHE 166 N 0.00 0.08 -0.98 -3.48 3.57 -0.35 0.23 116.94 116.01 1pm9 h PHE 166 Ca 0.00 0.02 0.24 0.00 3.53 0.00 0.00 57.97 61.77 1pm9 h PHE 166 Cb 0.00 0.02 -0.13 0.00 2.79 0.00 0.00 35.95 38.63 1pm9 h PHE 166 CO 0.00 -0.01 0.55 -0.07 -2.23 0.00 0.00 178.31 176.56 1pm9 h LEU 167 N 0.17 0.60 0.03 0.59 3.38 -1.87 0.18 115.31 118.38 1pm9 h LEU 167 Ca 0.18 0.14 -0.37 0.00 0.09 0.00 0.00 57.88 57.92 1pm9 h LEU 167 Cb 0.22 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1pm9 h LEU 167 CO -0.25 0.07 -2.12 1.67 0.09 0.00 0.00 178.44 177.90 1pm9 n GLN 168 N -4.93 0.63 0.00 1.13 7.27 -0.93 -4.62 117.38 115.94 1pm9 n GLN 168 Ca 0.26 0.31 0.10 0.00 0.07 0.00 0.00 57.00 57.74 1pm9 n GLN 168 Cb 0.74 -1.60 0.08 0.00 2.41 0.00 0.00 30.24 31.86 1pm9 n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1pm9 n TYR 169 N -3.89 0.00 -0.43 3.69 4.01 0.77 -5.06 117.16 116.25 1pm9 n TYR 169 Ca -0.43 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.31 1pm9 n TYR 169 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.93 1pm9 n TYR 169 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1pm9 n LYS 170 N 1.05 0.00 -0.01 -0.72 4.76 0.61 -1.49 118.16 122.37 1pm9 n LYS 170 Ca 0.11 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.69 1pm9 n LYS 170 Cb 0.49 0.00 0.55 0.00 -1.84 0.00 0.00 35.03 34.23 1pm9 n LYS 170 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1pm9 n ASN 171 N 3.83 1.36 -3.91 4.39 4.13 -1.26 -4.24 115.26 119.56 1pm9 n ASN 171 Ca 0.00 -1.47 -0.42 0.00 1.68 0.00 0.00 54.58 54.36 1pm9 n ASN 171 Cb 0.00 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.23 1pm9 n ASN 171 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1pm9 n VAL 172 N 0.07 3.90 -0.35 2.41 0.31 -0.55 -4.75 118.33 119.37 1pm9 n VAL 172 Ca 0.19 -3.77 0.08 0.00 -0.01 0.00 0.00 64.34 60.83 1pm9 n VAL 172 Cb 0.33 -2.48 0.24 0.00 -0.91 0.00 0.00 33.84 31.02 1pm9 n VAL 172 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1pm9 h ARG 173 N 6.11 0.89 -0.66 5.55 2.43 -1.82 -1.57 114.38 125.31 1pm9 h ARG 173 Ca 0.47 -0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.73 1pm9 h ARG 173 Cb 0.67 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 1pm9 h ARG 173 CO 1.71 0.59 0.45 -1.35 -1.51 0.00 0.00 179.97 179.85 1pm9 h PRO 174 N 0.91 0.28 -0.13 0.20 0.11 -1.97 0.57 132.00 131.97 1pm9 h PRO 174 Ca 0.50 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.44 1pm9 h PRO 174 Cb 0.56 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1pm9 h PRO 174 CO -0.29 0.19 -0.56 -0.44 -0.21 0.00 0.00 178.00 176.68 1pm9 h ASP 175 N 0.29 0.44 -0.39 -2.05 3.32 -1.67 -1.82 116.42 114.54 1pm9 h ASP 175 Ca 0.32 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1pm9 h ASP 175 Cb 0.84 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1pm9 h ASP 175 CO -0.08 0.91 -0.07 0.22 -1.72 0.00 0.00 179.24 178.50 1pm9 h TYR 176 N 0.30 0.83 -0.62 4.55 3.20 -0.91 -1.35 116.97 122.97 1pm9 h TYR 176 Ca 0.00 -0.17 -0.04 0.00 3.14 0.00 0.00 58.73 61.66 1pm9 h TYR 176 Cb 1.08 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 1pm9 h TYR 176 CO 0.03 0.86 0.23 -0.07 -1.64 0.00 0.00 178.16 177.58 1pm9 h LEU 177 N 0.55 0.84 -0.60 2.82 -0.00 -1.02 -0.90 115.31 117.00 1pm9 h LEU 177 Ca 0.10 -0.12 -0.14 0.00 -0.00 0.00 0.00 57.88 57.72 1pm9 h LEU 177 Cb 0.58 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.02 1pm9 h LEU 177 CO 0.03 0.77 -0.38 0.50 -0.00 0.00 0.00 178.44 179.36 1pm9 h LYS 178 N 0.90 0.68 -0.14 1.13 3.64 -1.10 -3.24 116.57 118.45 1pm9 h LYS 178 Ca 0.21 -0.34 -0.21 0.00 -1.27 0.00 0.00 60.65 59.03 1pm9 h LYS 178 Cb 0.20 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1pm9 h LYS 178 CO -0.02 0.95 -0.76 0.00 -2.27 0.00 0.00 179.45 177.35 1pm9 h ALA 179 N 1.01 0.38 0.00 5.00 0.00 -0.91 -3.30 119.26 121.44 1pm9 h ALA 179 Ca 0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1pm9 h ALA 179 Cb 0.91 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1pm9 h ALA 179 CO 0.08 0.70 -0.03 0.97 0.00 0.00 0.00 179.25 180.97 1pm9 h ILE 180 N 0.49 0.39 0.00 0.00 2.10 -1.19 -1.72 117.51 117.58 1pm9 h ILE 180 Ca -0.05 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.72 1pm9 h ILE 180 Cb 1.38 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 38.23 1pm9 h ILE 180 CO 0.15 0.03 0.00 -0.50 -1.08 0.00 0.00 178.15 176.76 1pm9 h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.64 -1.84 115.95 118.72 1pm9 h TRP 181 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1pm9 h TRP 181 Cb 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.28 1pm9 h TRP 181 CO 0.00 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.97 1pm9 n ASN 182 N -2.98 0.00 -0.15 -3.49 3.02 -0.64 -3.67 115.26 107.35 1pm9 n ASN 182 Ca -0.01 0.45 0.05 0.00 -0.03 0.00 0.00 54.58 55.04 1pm9 n ASN 182 Cb 0.20 -0.48 0.07 0.00 -0.61 0.00 0.00 39.78 38.95 1pm9 n ASN 182 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1pm9 n VAL 183 N -1.48 1.09 -2.45 2.41 0.24 -0.70 -3.49 118.33 113.94 1pm9 n VAL 183 Ca 0.07 -1.26 -0.42 0.00 -2.04 0.00 0.00 64.34 60.69 1pm9 n VAL 183 Cb 0.31 0.20 -0.03 0.00 -1.47 0.00 0.00 33.84 32.85 1pm9 n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1pm9 s ILE 184 N -1.55 4.07 -0.98 1.34 -1.09 -1.17 -0.70 121.20 121.12 1pm9 s ILE 184 Ca 0.15 1.52 -0.17 0.00 -2.23 0.00 0.00 60.65 59.92 1pm9 s ILE 184 Cb 0.13 -3.97 0.15 0.00 -1.58 0.00 0.00 42.46 37.18 1pm9 s ILE 184 CO 0.01 0.14 1.16 0.21 -1.23 0.00 0.00 174.94 175.24 1pm9 s ASN 185 N 0.89 6.74 0.62 3.58 3.84 0.25 0.11 114.94 130.97 1pm9 s ASN 185 Ca 0.57 -2.30 0.39 0.00 0.21 0.00 0.00 52.86 51.72 1pm9 s ASN 185 Cb -0.29 -2.38 2.04 0.00 -0.55 0.00 0.00 41.25 40.07 1pm9 s ASN 185 CO 0.30 -0.96 2.25 -0.50 -2.79 0.00 0.00 177.10 175.40 1pm9 h TRP 186 N 8.40 0.00 -0.31 0.43 4.06 -1.87 -1.30 115.95 125.36 1pm9 h TRP 186 Ca 0.19 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 61.00 1pm9 h TRP 186 Cb 0.99 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.14 1pm9 h TRP 186 CO 1.14 0.02 -0.35 0.93 -3.56 0.00 0.00 178.44 176.62 1pm9 h GLU 187 N 0.00 0.69 -0.16 0.49 5.08 -1.96 -0.45 114.58 118.26 1pm9 h GLU 187 Ca -0.00 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 57.94 1pm9 h GLU 187 Cb 0.14 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1pm9 h GLU 187 CO 0.00 0.93 -0.24 -0.97 -1.00 0.00 0.00 179.01 177.73 1pm9 h ASN 188 N 0.58 0.50 -0.94 1.42 -0.73 -1.52 -2.25 115.58 112.63 1pm9 h ASN 188 Ca 0.06 -0.52 0.06 0.00 1.87 0.00 0.00 56.30 57.76 1pm9 h ASN 188 Cb 0.87 -0.14 -0.06 0.00 0.27 0.00 0.00 38.32 39.26 1pm9 h ASN 188 CO 0.08 0.92 0.61 0.58 -0.37 0.00 0.00 177.43 179.25 1pm9 h VAL 189 N 0.08 1.09 -0.81 2.57 2.07 -1.36 -1.34 116.25 118.55 1pm9 h VAL 189 Ca 0.02 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1pm9 h VAL 189 Cb 0.82 -0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1pm9 h VAL 189 CO 0.06 0.20 0.41 0.74 0.02 0.00 0.00 177.57 179.00 1pm9 h THR 190 N 1.10 1.25 -0.65 2.57 2.02 -0.92 -1.14 112.91 117.14 1pm9 h THR 190 Ca 0.40 -0.66 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 1pm9 h THR 190 Cb 0.15 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1pm9 h THR 190 CO -0.15 0.29 0.09 -0.33 0.37 0.00 0.00 175.52 175.80 1pm9 h GLU 191 N 1.14 1.08 -0.22 6.66 5.08 -0.66 0.22 114.58 127.88 1pm9 h GLU 191 Ca 0.28 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1pm9 h GLU 191 Cb 0.08 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1pm9 h GLU 191 CO -0.04 1.00 -0.30 0.00 -1.00 0.00 0.00 179.01 178.67 1pm9 h ARG 192 N 1.00 0.44 0.58 2.33 3.08 -1.03 -1.82 114.38 118.96 1pm9 h ARG 192 Ca 0.20 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1pm9 h ARG 192 Cb 0.45 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.49 1pm9 h ARG 192 CO 0.01 0.70 -0.28 -0.92 -1.07 0.00 0.00 179.97 178.41 1pm9 h TYR 193 N 0.38 -0.73 -1.08 3.04 3.20 -0.76 -3.05 116.97 117.98 1pm9 h TYR 193 Ca 0.05 -0.02 0.31 0.00 3.14 0.00 0.00 58.73 62.21 1pm9 h TYR 193 Cb 0.73 0.24 -0.05 0.00 1.54 0.00 0.00 36.73 39.18 1pm9 h TYR 193 CO 0.02 -0.42 0.76 0.52 -1.64 0.00 0.00 178.16 177.40 1pm9 h MET 194 N -1.17 0.08 0.00 1.82 2.86 -0.53 0.43 114.93 118.43 1pm9 h MET 194 Ca -0.08 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1pm9 h MET 194 Cb 0.63 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1pm9 h MET 194 CO 0.13 0.06 0.00 0.00 1.06 0.00 0.00 176.91 178.16 1pm9 n ALA 195 N -2.69 1.67 -0.11 6.32 0.00 -0.69 -2.92 120.51 122.09 1pm9 n ALA 195 Ca 0.24 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.42 1pm9 n ALA 195 Cb 1.09 -1.22 -0.12 0.00 0.00 0.00 0.00 19.45 19.20 1pm9 n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pm9 h LYS 197 N -0.18 0.00 0.00 0.00 1.57 -1.46 -3.52 116.57 112.98 1pm9 h LYS 197 Ca -0.57 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1pm9 h LYS 197 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.16 1pm9 h LYS 197 CO -0.12 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 179.93