#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2py8 h THR 3 N 0.00 0.82 -0.76 1.69 2.02 -2.06 -2.95 112.91 111.67 2py8 h THR 3 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2py8 h THR 3 Cb 0.00 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 2py8 h THR 3 CO 0.00 0.00 0.31 0.50 0.37 0.00 0.00 175.52 176.70 2py8 h LYS 4 N -0.21 1.13 -0.59 6.66 1.63 -2.05 -2.22 116.57 120.91 2py8 h LYS 4 Ca -0.01 -0.19 -0.03 0.00 -0.85 0.00 0.00 60.65 59.57 2py8 h LYS 4 Cb 0.18 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 2py8 h LYS 4 CO 0.01 0.91 0.25 0.45 -3.45 0.00 0.00 179.45 177.63 2py8 h HIS 5 N 1.11 0.85 -0.40 1.91 3.86 -1.99 -0.27 115.15 120.22 2py8 h HIS 5 Ca 0.26 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.38 2py8 h HIS 5 Cb 0.20 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 2py8 h HIS 5 CO 0.02 0.65 0.08 0.82 0.86 0.00 0.00 177.93 180.35 2py8 h ILE 6 N 0.84 1.23 -0.53 2.45 2.04 -1.27 -1.28 117.51 121.01 2py8 h ILE 6 Ca 0.20 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.25 2py8 h ILE 6 Cb 0.14 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 2py8 h ILE 6 CO -0.02 0.28 0.33 0.00 0.00 0.00 0.00 178.15 178.74 2py8 h ALA 7 N 0.94 0.67 -0.02 1.87 0.00 -0.89 -0.23 119.26 121.60 2py8 h ALA 7 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2py8 h ALA 7 Cb 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2py8 h ALA 7 CO 0.00 0.07 -0.01 1.96 0.00 0.00 0.00 179.25 181.27 2py8 h GLN 8 N 0.67 -0.00 -0.80 0.00 4.20 -0.92 -0.28 115.11 117.97 2py8 h GLN 8 Ca 0.20 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.99 2py8 h GLN 8 Cb -0.03 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.69 2py8 h GLN 8 CO -0.07 -0.00 0.47 0.00 -0.67 0.00 0.00 178.83 178.56 2py8 h ALA 9 N 1.01 1.12 -0.52 3.87 0.00 -0.98 -1.69 119.26 122.08 2py8 h ALA 9 Ca 0.01 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2py8 h ALA 9 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2py8 h ALA 9 CO -0.02 0.15 0.02 1.15 0.00 0.00 0.00 179.25 180.55 2py8 h THR 10 N 0.83 1.25 -0.40 0.00 2.02 -0.57 -2.73 112.91 113.31 2py8 h THR 10 Ca 0.37 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 2py8 h THR 10 Cb 0.26 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2py8 h THR 10 CO -0.21 0.36 0.16 0.58 0.37 0.00 0.00 175.52 176.78 2py8 h VAL 11 N 0.80 1.20 -0.64 3.16 2.07 -0.14 -0.70 116.25 122.00 2py8 h VAL 11 Ca 0.16 -0.61 0.05 0.00 0.82 0.00 0.00 66.70 67.11 2py8 h VAL 11 Cb 0.45 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 2py8 h VAL 11 CO 0.02 0.22 0.37 0.11 0.02 0.00 0.00 177.57 178.31 2py8 h LYS 12 N 0.50 0.67 -0.30 1.57 1.57 -1.30 0.28 116.57 119.57 2py8 h LYS 12 Ca 0.13 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2py8 h LYS 12 Cb 0.19 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2py8 h LYS 12 CO -0.01 0.45 0.14 0.28 -0.57 0.00 0.00 179.45 179.74 2py8 h VAL 13 N 0.70 1.16 0.04 0.50 2.07 -1.28 0.82 116.25 120.25 2py8 h VAL 13 Ca 0.28 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.36 2py8 h VAL 13 Cb 0.13 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2py8 h VAL 13 CO -0.15 0.16 -0.15 0.25 0.02 0.00 0.00 177.57 177.70 2py8 h LEU 14 N 0.35 -0.42 -0.90 2.57 6.46 -0.41 -0.34 115.31 122.62 2py8 h LEU 14 Ca 0.10 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.95 2py8 h LEU 14 Cb 0.13 0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.18 2py8 h LEU 14 CO -0.01 -0.21 0.58 -0.61 -0.62 0.00 0.00 178.44 177.57 2py8 h GLN 15 N -0.27 1.11 -0.54 1.25 4.15 -0.26 -0.31 115.11 120.24 2py8 h GLN 15 Ca 0.04 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 2py8 h GLN 15 Cb 0.31 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 2py8 h GLN 15 CO -0.11 0.74 0.13 0.77 -1.93 0.00 0.00 178.83 178.42 2py8 h SER 16 N 1.15 0.83 -0.75 -0.69 0.02 -0.43 -1.37 113.55 112.31 2py8 h SER 16 Ca 0.35 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2py8 h SER 16 Cb -0.03 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 2py8 h SER 16 CO -0.11 0.85 0.37 0.22 -1.14 0.00 0.00 176.83 177.02 2py8 h TYR 17 N 0.77 1.07 -0.31 3.45 3.20 -0.14 -1.56 116.97 123.45 2py8 h TYR 17 Ca 0.17 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 2py8 h TYR 17 Cb 0.35 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2py8 h TYR 17 CO 0.02 0.78 -0.05 -0.07 -1.64 0.00 0.00 178.16 177.20 2py8 h LEU 18 N 1.05 0.46 -0.45 2.82 3.38 -0.90 -1.47 115.31 120.20 2py8 h LEU 18 Ca 0.26 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2py8 h LEU 18 Cb 0.10 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2py8 h LEU 18 CO -0.03 0.57 0.18 0.74 0.09 0.00 0.00 178.44 179.98 2py8 h THR 19 N 0.47 1.21 -0.33 0.22 2.02 -0.65 0.02 112.91 115.86 2py8 h THR 19 Ca 0.10 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.65 2py8 h THR 19 Cb 0.38 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2py8 h THR 19 CO 0.02 0.24 0.20 0.22 0.37 0.00 0.00 175.52 176.56 2py8 h TYR 20 N 0.59 0.37 -0.43 3.16 5.03 -0.88 -1.48 116.97 123.32 2py8 h TYR 20 Ca 0.15 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.48 2py8 h TYR 20 Cb 0.20 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.34 2py8 h TYR 20 CO 0.00 0.22 0.28 0.37 -1.32 0.00 0.00 178.16 177.71 2py8 h GLN 21 N 0.40 0.55 -0.96 1.82 5.75 -1.08 -1.16 115.11 120.43 2py8 h GLN 21 Ca 0.13 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 2py8 h GLN 21 Cb -0.00 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.38 2py8 h GLN 21 CO -0.06 0.36 0.58 0.00 -2.65 0.00 0.00 178.83 177.07 2py8 h ALA 22 N 1.17 1.22 -0.72 3.38 0.00 -0.69 -1.82 119.26 121.81 2py8 h ALA 22 Ca 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2py8 h ALA 22 Cb -0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.33 2py8 h ALA 22 CO -0.05 0.67 0.37 0.28 0.00 0.00 0.00 179.25 180.52 2py8 h VAL 23 N 1.32 1.23 -0.44 0.00 2.07 -0.64 -2.05 116.25 117.74 2py8 h VAL 23 Ca 0.34 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2py8 h VAL 23 Cb -0.07 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 2py8 h VAL 23 CO -0.07 0.26 0.21 -0.07 0.02 0.00 0.00 177.57 177.93 2py8 h LEU 24 N 1.00 0.57 -0.55 2.57 3.38 -0.62 -0.62 115.31 121.04 2py8 h LEU 24 Ca 0.25 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2py8 h LEU 24 Cb 0.08 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2py8 h LEU 24 CO -0.04 0.54 0.30 -0.09 0.09 0.00 0.00 178.44 179.24 2py8 h ARG 25 N 0.56 0.56 -0.09 1.13 2.43 -1.15 -1.23 114.38 116.59 2py8 h ARG 25 Ca 0.15 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2py8 h ARG 25 Cb 0.12 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2py8 h ARG 25 CO -0.02 0.37 -0.24 0.82 -1.51 0.00 0.00 179.97 179.39 2py8 h ILE 26 N 0.57 1.21 -0.30 1.20 2.04 -1.13 -2.06 117.51 119.05 2py8 h ILE 26 Ca 0.24 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 2py8 h ILE 26 Cb 0.12 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2py8 h ILE 26 CO -0.15 0.30 0.02 -0.61 0.00 0.00 0.00 178.15 177.71 2py8 h GLN 27 N 0.14 0.52 -0.28 2.37 4.15 -0.13 -1.72 115.11 120.17 2py8 h GLN 27 Ca 0.02 -0.15 0.01 0.00 0.77 0.00 0.00 58.65 59.30 2py8 h GLN 27 Cb 0.50 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 2py8 h GLN 27 CO 0.03 0.64 0.16 0.77 -1.93 0.00 0.00 178.83 178.51 2py8 h SER 28 N 0.32 0.25 -0.51 -0.69 0.02 -1.02 -1.55 113.55 110.38 2py8 h SER 28 Ca 0.09 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 2py8 h SER 28 Cb 0.40 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 2py8 h SER 28 CO 0.01 0.19 0.07 -0.33 -1.14 0.00 0.00 176.83 175.63 2py8 h GLU 29 N 0.33 0.85 -0.05 3.45 5.08 -1.28 -0.91 114.58 122.06 2py8 h GLU 29 Ca 0.11 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 2py8 h GLU 29 Cb 0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2py8 h GLU 29 CO -0.05 0.85 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.61 2py8 h LEU 30 N 0.73 0.07 -0.06 1.33 3.38 -1.32 -1.80 115.31 117.64 2py8 h LEU 30 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2py8 h LEU 30 Cb 0.42 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2py8 h LEU 30 CO 0.01 0.20 0.01 0.61 0.09 0.00 0.00 178.44 179.36 2py8 n GLY 31 N -1.09 -0.51 0.59 0.83 0.00 -0.35 -0.38 105.19 104.27 2py8 n GLY 31 Ca -0.02 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2py8 n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2py8 n GLU 32 N -1.52 0.26 0.05 1.61 1.02 -0.74 -4.78 120.64 116.53 2py8 n GLU 32 Ca -0.00 0.11 -0.09 0.00 -0.02 0.00 0.00 57.16 57.17 2py8 n GLU 32 Cb 0.01 -0.96 -0.13 0.00 -0.02 0.00 0.00 31.44 30.35 2py8 n GLU 32 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2py8 h THR 33 N -0.42 1.52 -0.67 2.62 1.35 -1.18 -3.43 112.91 112.71 2py8 h THR 33 Ca -0.31 -3.24 -0.30 0.00 -0.55 0.00 0.00 66.41 62.01 2py8 h THR 33 Cb 1.28 2.78 -0.21 0.00 -1.73 0.00 0.00 68.15 70.27 2py8 h THR 33 CO -0.18 0.88 -0.64 -3.20 -0.25 0.00 0.00 175.52 172.12 2py8 n ASN 34 N -3.32 -2.22 -0.30 5.36 5.15 0.48 -5.04 115.26 115.38 2py8 n ASN 34 Ca -0.05 -3.08 0.12 0.00 -0.60 0.00 0.00 54.58 50.98 2py8 n ASN 34 Cb 0.97 1.19 0.36 0.00 -0.53 0.00 0.00 39.78 41.77 2py8 n ASN 34 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2py8 h PRO 35 N 4.21 0.70 -0.85 1.20 0.11 -1.80 -0.30 132.00 135.28 2py8 h PRO 35 Ca -0.06 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 66.13 2py8 h PRO 35 Cb 1.00 -0.16 -0.08 0.00 0.11 0.00 0.00 31.00 31.87 2py8 h PRO 35 CO 0.32 0.46 0.47 -1.35 -0.21 0.00 0.00 178.00 177.69 2py8 h PRO 36 N 0.72 0.72 -0.35 1.05 0.11 -1.96 -1.83 132.00 130.46 2py8 h PRO 36 Ca 0.49 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.42 2py8 h PRO 36 Cb 0.79 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 2py8 h PRO 36 CO -0.25 0.48 -0.33 1.96 -0.21 0.00 0.00 178.00 179.65 2py8 h GLN 37 N 0.74 0.85 -0.75 1.05 1.08 -1.41 -1.73 115.11 114.94 2py8 h GLN 37 Ca 0.43 -0.44 0.10 0.00 -1.45 0.00 0.00 58.65 57.29 2py8 h GLN 37 Cb 0.48 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.85 2py8 h GLN 37 CO -0.29 1.08 0.38 0.00 -0.95 0.00 0.00 178.83 179.05 2py8 h ALA 38 N 0.75 1.05 -0.26 3.87 0.00 -1.18 0.17 119.26 123.67 2py8 h ALA 38 Ca 0.06 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 2py8 h ALA 38 Cb 0.91 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2py8 h ALA 38 CO 0.08 -0.03 -0.56 0.97 0.00 0.00 0.00 179.25 179.72 2py8 h ILE 39 N 0.64 1.28 -0.83 0.00 -0.00 -1.29 -2.12 117.51 115.20 2py8 h ILE 39 Ca 0.37 -1.76 -0.02 0.00 -0.00 0.00 0.00 64.86 63.46 2py8 h ILE 39 Cb 0.40 1.67 -0.04 0.00 -0.00 0.00 0.00 36.82 38.86 2py8 h ILE 39 CO -0.28 0.57 0.44 -0.25 -0.00 0.00 0.00 178.15 178.63 2py8 h TRP 40 N 0.61 1.14 -0.29 2.19 7.01 -0.45 -1.46 115.95 124.71 2py8 h TRP 40 Ca 0.01 -0.03 -0.12 0.00 2.11 0.00 0.00 58.89 60.86 2py8 h TRP 40 Cb 1.15 -0.36 -0.00 0.00 -2.10 0.00 0.00 29.16 27.85 2py8 h TRP 40 CO 0.07 0.80 -0.29 1.25 -2.79 0.00 0.00 178.44 177.47 2py8 h LEU 41 N 1.16 0.75 -0.35 0.65 5.85 -0.66 -0.50 115.31 122.21 2py8 h LEU 41 Ca 0.29 -0.47 0.07 0.00 0.84 0.00 0.00 57.88 58.61 2py8 h LEU 41 Cb 0.04 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.79 2py8 h LEU 41 CO -0.05 1.07 -0.14 0.78 -0.34 0.00 0.00 178.44 179.76 2py8 h ASN 42 N 0.45 -0.50 -0.34 1.25 2.35 -1.11 0.13 115.58 117.81 2py8 h ASN 42 Ca 0.04 0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 2py8 h ASN 42 Cb 0.86 0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.50 2py8 h ASN 42 CO 0.07 -0.18 -0.05 1.56 -1.65 0.00 0.00 177.43 177.19 2py8 h GLN 43 N -0.08 0.73 -0.80 0.81 4.20 -1.18 -1.67 115.11 117.12 2py8 h GLN 43 Ca 0.17 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2py8 h GLN 43 Cb 0.35 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 2py8 h GLN 43 CO -0.40 0.77 0.33 -0.92 -0.67 0.00 0.00 178.83 177.94 2py8 h TYR 44 N 0.68 1.20 -0.04 2.96 5.03 -0.29 -2.56 116.97 123.96 2py8 h TYR 44 Ca 0.13 -0.08 -0.12 0.00 2.58 0.00 0.00 58.73 61.23 2py8 h TYR 44 Cb 0.49 -0.36 -0.01 0.00 1.55 0.00 0.00 36.73 38.39 2py8 h TYR 44 CO 0.02 0.90 -0.54 1.25 -1.32 0.00 0.00 178.16 178.48 2py8 h LEU 45 N 1.15 0.11 -1.12 2.82 5.85 -0.33 -1.06 115.31 122.74 2py8 h LEU 45 Ca 0.27 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 2py8 h LEU 45 Cb 0.20 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2py8 h LEU 45 CO -0.02 0.63 -0.37 0.00 -0.34 0.00 0.00 178.44 178.33 2py8 h ALA 46 N 1.37 1.12 -0.01 1.25 0.00 -1.12 -3.21 119.26 118.66 2py8 h ALA 46 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2py8 h ALA 46 Cb 0.98 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2py8 h ALA 46 CO 0.08 0.47 -0.68 0.45 0.00 0.00 0.00 179.25 179.56 2py8 n SER 47 N -3.71 1.61 -3.70 0.00 2.88 -0.98 -4.91 113.62 104.82 2py8 n SER 47 Ca -0.01 -1.30 -0.21 0.00 -1.33 0.00 0.00 58.87 56.02 2py8 n SER 47 Cb 0.46 0.67 -0.18 0.00 -0.75 0.00 0.00 64.21 64.42 2py8 n SER 47 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2py8 s HIS 48 N -2.69 0.20 0.24 0.66 3.76 -0.44 -5.08 115.29 111.95 2py8 s HIS 48 Ca 0.14 0.16 -0.31 0.00 -0.15 0.00 0.00 55.06 54.90 2py8 s HIS 48 Cb 0.17 -0.55 -0.12 0.00 1.11 0.00 0.00 32.58 33.20 2py8 s HIS 48 CO 0.69 -0.22 1.67 0.45 -0.85 0.00 0.00 174.74 176.48 2py8 s SER 49 N 2.10 6.38 -0.12 1.40 0.15 -1.26 -4.64 113.70 117.71 2py8 s SER 49 Ca 0.05 2.90 0.17 0.00 0.70 0.00 0.00 55.95 59.77 2py8 s SER 49 Cb -0.12 -2.61 0.66 0.00 -1.71 0.00 0.00 66.02 62.24 2py8 s SER 49 CO -0.03 -0.95 1.58 0.00 1.20 0.00 0.00 173.24 175.04 2py8 n ILE 50 N 3.22 1.87 0.03 6.45 3.06 -1.26 -4.53 119.36 128.20 2py8 n ILE 50 Ca 0.13 -1.28 -0.03 0.00 -2.50 0.00 0.00 62.75 59.06 2py8 n ILE 50 Cb 0.36 0.09 0.20 0.00 0.54 0.00 0.00 39.64 40.84 2py8 n ILE 50 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 2py8 h GLN 51 N 3.60 0.43 -4.56 9.51 1.08 -1.94 -3.31 115.11 119.92 2py8 h GLN 51 Ca 0.00 -0.17 -0.70 0.00 -1.45 0.00 0.00 58.65 56.32 2py8 h GLN 51 Cb 1.42 -0.02 -0.29 0.00 -0.05 0.00 0.00 27.48 28.53 2py8 h GLN 51 CO 0.22 0.68 -0.54 1.21 -0.95 0.00 0.00 178.83 179.46 2py8 s ASN 52 N -6.83 5.43 0.37 1.46 3.84 -1.26 -4.88 114.94 113.07 2py8 s ASN 52 Ca -0.06 -1.41 0.04 0.00 0.21 0.00 0.00 52.86 51.64 2py8 s ASN 52 Cb 0.14 -1.91 0.72 0.00 -0.55 0.00 0.00 41.25 39.65 2py8 s ASN 52 CO 0.79 -0.44 2.03 1.23 -2.79 0.00 0.00 177.10 177.91 2py8 h GLY 53 N 8.27 0.78 0.77 1.21 0.00 -1.82 -2.25 103.07 110.02 2py8 h GLY 53 Ca -0.22 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 2py8 h GLY 53 CO 0.68 0.28 -0.06 0.83 0.00 0.00 0.00 176.54 178.26 2py8 h GLU 54 N 0.75 0.33 -0.16 4.80 4.39 -1.93 0.53 114.58 123.28 2py8 h GLU 54 Ca 0.21 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 2py8 h GLU 54 Cb -0.06 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2py8 h GLU 54 CO -0.05 0.63 -0.36 1.79 -1.16 0.00 0.00 179.01 179.86 2py8 h THR 55 N 0.02 1.29 0.20 1.13 1.35 -1.95 0.18 112.91 115.13 2py8 h THR 55 Ca 0.04 -1.43 -0.01 0.00 -0.55 0.00 0.00 66.41 64.46 2py8 h THR 55 Cb 0.52 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2py8 h THR 55 CO 0.02 0.44 -0.10 0.15 -0.25 0.00 0.00 175.52 175.78 2py8 h PHE 56 N 0.29 -0.25 -0.32 4.73 3.04 -1.21 -0.72 116.94 122.49 2py8 h PHE 56 Ca 0.03 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 2py8 h PHE 56 Cb 0.77 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.35 2py8 h PHE 56 CO 0.02 -0.15 0.14 -0.07 -2.02 0.00 0.00 178.31 176.23 2py8 h LEU 57 N -0.28 0.42 -0.18 0.59 3.38 -0.59 -1.64 115.31 117.00 2py8 h LEU 57 Ca -0.03 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.86 2py8 h LEU 57 Cb 0.22 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2py8 h LEU 57 CO 0.05 0.44 -0.19 0.74 0.09 0.00 0.00 178.44 179.57 2py8 h THR 58 N 0.37 0.50 -0.56 0.22 2.02 -0.56 0.95 112.91 115.86 2py8 h THR 58 Ca 0.11 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 2py8 h THR 58 Cb 0.14 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 2py8 h THR 58 CO -0.01 0.00 0.16 -0.08 0.37 0.00 0.00 175.52 175.96 2py8 h GLU 59 N -0.21 0.84 -0.26 6.66 4.81 -0.99 -2.62 114.58 122.80 2py8 h GLU 59 Ca 0.12 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 2py8 h GLU 59 Cb 0.39 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2py8 h GLU 59 CO -0.31 0.73 -0.31 1.25 -0.73 0.00 0.00 179.01 179.64 2py8 h LEU 60 N 0.82 0.56 -1.71 1.64 6.46 -0.76 -3.13 115.31 119.19 2py8 h LEU 60 Ca 0.18 -0.22 0.13 0.00 -0.12 0.00 0.00 57.88 57.86 2py8 h LEU 60 Cb 0.25 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 2py8 h LEU 60 CO -0.01 0.84 0.44 0.25 -0.62 0.00 0.00 178.44 179.35 2py8 h LEU 61 N 0.47 0.28 -0.16 2.25 6.46 -0.43 0.88 115.31 125.05 2py8 h LEU 61 Ca 0.06 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2py8 h LEU 61 Cb 0.78 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 2py8 h LEU 61 CO 0.06 0.15 0.00 0.47 -0.62 0.00 0.00 178.44 178.51 2py8 n ASP 62 N -4.45 0.62 -0.06 1.25 8.00 -1.18 -3.56 116.55 117.17 2py8 n ASP 62 Ca 0.12 0.58 -0.08 0.00 0.71 0.00 0.00 54.79 56.12 2py8 n ASP 62 Cb 0.50 -0.74 -0.07 0.00 -0.02 0.00 0.00 41.12 40.79 2py8 n ASP 62 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2py8 n GLU 63 N -2.11 1.00 -3.32 -1.24 2.13 0.13 -4.93 120.64 112.30 2py8 n GLU 63 Ca 0.05 0.05 -0.15 0.00 0.66 0.00 0.00 57.16 57.77 2py8 n GLU 63 Cb 0.36 -1.27 -0.07 0.00 0.27 0.00 0.00 31.44 30.73 2py8 n GLU 63 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2py8 s ASN 64 N -4.96 0.80 0.29 4.31 3.84 -0.19 -5.02 114.94 114.01 2py8 s ASN 64 Ca -0.14 -1.61 0.04 0.00 0.21 0.00 0.00 52.86 51.36 2py8 s ASN 64 Cb 0.04 0.70 0.43 0.00 -0.55 0.00 0.00 41.25 41.87 2py8 s ASN 64 CO 0.35 -0.23 1.71 0.07 -2.79 0.00 0.00 177.10 176.21 2py8 h LYS 65 N 6.86 0.38 -0.27 0.43 2.10 -1.76 -2.78 116.57 121.54 2py8 h LYS 65 Ca 0.07 -0.16 -0.03 0.00 -2.00 0.00 0.00 60.65 58.53 2py8 h LYS 65 Cb 1.06 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.36 2py8 h LYS 65 CO 0.19 0.67 0.04 0.93 -2.00 0.00 0.00 179.45 179.28 2py8 h GLU 66 N 0.33 0.39 -0.02 0.07 4.39 -1.95 -1.90 114.58 115.89 2py8 h GLU 66 Ca 0.04 -0.06 -0.23 0.00 0.34 0.00 0.00 59.36 59.45 2py8 h GLU 66 Cb 0.73 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.32 2py8 h GLU 66 CO 0.06 0.38 -0.94 1.25 -1.16 0.00 0.00 179.01 178.60 2py8 h LEU 67 N 0.38 0.68 -0.33 1.33 6.46 -1.90 -2.39 115.31 119.55 2py8 h LEU 67 Ca 0.09 -0.53 -0.02 0.00 -0.12 0.00 0.00 57.88 57.30 2py8 h LEU 67 Cb 0.19 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 2py8 h LEU 67 CO -0.00 1.32 0.14 0.58 -0.62 0.00 0.00 178.44 179.86 2py8 h VAL 68 N 0.31 1.18 -0.82 1.05 2.07 -1.33 -0.10 116.25 118.61 2py8 h VAL 68 Ca -0.09 -0.54 0.06 0.00 0.82 0.00 0.00 66.70 66.95 2py8 h VAL 68 Cb 1.57 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.21 2py8 h VAL 68 CO 0.17 0.19 0.50 -0.07 0.02 0.00 0.00 177.57 178.38 2py8 h LEU 69 N 0.39 0.77 -0.61 2.57 3.38 -1.33 0.33 115.31 120.82 2py8 h LEU 69 Ca 0.11 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2py8 h LEU 69 Cb 0.17 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2py8 h LEU 69 CO -0.01 0.49 0.23 -0.09 0.09 0.00 0.00 178.44 179.16 2py8 h ARG 70 N 0.91 0.92 -0.56 1.13 1.12 -1.11 0.41 114.38 117.19 2py8 h ARG 70 Ca 0.36 -0.17 -0.04 0.00 -1.11 0.00 0.00 59.98 59.02 2py8 h ARG 70 Cb 0.18 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 29.97 2py8 h ARG 70 CO -0.18 0.79 0.19 0.82 -3.11 0.00 0.00 179.97 178.48 2py8 h ILE 71 N 0.85 1.23 -0.40 1.20 2.04 0.25 -1.29 117.51 121.39 2py8 h ILE 71 Ca 0.20 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 2py8 h ILE 71 Cb 0.22 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 2py8 h ILE 71 CO -0.01 0.29 0.25 -0.07 0.00 0.00 0.00 178.15 178.60 2py8 h LEU 72 N 0.77 0.47 -0.18 1.44 3.38 -0.01 0.61 115.31 121.79 2py8 h LEU 72 Ca 0.18 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2py8 h LEU 72 Cb 0.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2py8 h LEU 72 CO -0.01 0.38 0.11 0.00 0.09 0.00 0.00 178.44 179.01 2py8 h ALA 73 N 1.12 0.23 -0.15 1.53 0.00 -0.61 -1.73 119.26 119.65 2py8 h ALA 73 Ca 0.14 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2py8 h ALA 73 Cb -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2py8 h ALA 73 CO -0.03 -0.26 -0.42 0.28 0.00 0.00 0.00 179.25 178.82 2py8 h VAL 74 N 0.21 1.31 -0.74 0.00 2.07 -1.11 -2.33 116.25 115.66 2py8 h VAL 74 Ca 0.07 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 2py8 h VAL 74 Cb 0.03 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 2py8 h VAL 74 CO -0.01 0.48 0.44 -0.09 0.02 0.00 0.00 177.57 178.41 2py8 h ARG 75 N 0.29 1.01 -0.54 1.57 2.43 -0.64 -1.46 114.38 117.05 2py8 h ARG 75 Ca 0.02 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2py8 h ARG 75 Cb 0.87 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 2py8 h ARG 75 CO 0.07 0.72 0.35 1.49 -1.51 0.00 0.00 179.97 181.09 2py8 h GLU 76 N 1.01 0.71 -0.92 0.20 4.57 -0.81 0.55 114.58 119.89 2py8 h GLU 76 Ca 0.26 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2py8 h GLU 76 Cb -0.02 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.36 2py8 h GLU 76 CO -0.05 0.47 0.58 -0.44 -1.18 0.00 0.00 179.01 178.39 2py8 h ASP 77 N 0.73 1.08 -0.08 1.04 3.32 -1.09 -1.21 116.42 120.20 2py8 h ASP 77 Ca 0.20 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 2py8 h ASP 77 Cb -0.08 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.20 2py8 h ASP 77 CO -0.04 0.81 -0.09 0.40 -1.72 0.00 0.00 179.24 178.60 2py8 h ILE 78 N 1.26 1.37 -0.39 0.35 2.04 -0.80 -2.01 117.51 119.32 2py8 h ILE 78 Ca 0.33 -1.26 0.07 0.00 1.00 0.00 0.00 64.86 65.01 2py8 h ILE 78 Cb -0.10 2.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.93 2py8 h ILE 78 CO -0.07 0.35 -0.00 0.00 0.00 0.00 0.00 178.15 178.43 2py8 h ALA 79 N 0.56 0.36 -0.24 1.87 0.00 -0.74 -1.91 119.26 119.15 2py8 h ALA 79 Ca 0.01 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2py8 h ALA 79 Cb 0.61 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2py8 h ALA 79 CO 0.02 -0.39 -0.15 0.93 0.00 0.00 0.00 179.25 179.66 2py8 h GLU 80 N 0.10 0.41 -0.00 0.00 4.39 -1.21 0.95 114.58 119.22 2py8 h GLU 80 Ca 0.19 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2py8 h GLU 80 Cb 0.27 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2py8 h GLU 80 CO -0.32 0.56 -0.08 -1.13 -1.16 0.00 0.00 179.01 176.87 2py8 n SER 81 N -4.20 0.23 0.00 1.42 3.41 -0.76 -4.40 113.62 109.32 2py8 n SER 81 Ca 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 2py8 n SER 81 Cb 0.32 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2py8 n SER 81 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2py8 n VAL 82 N -1.19 0.00 -0.31 -3.33 0.31 -0.78 -4.91 118.33 108.12 2py8 n VAL 82 Ca 0.13 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.53 2py8 n VAL 82 Cb 0.28 -0.46 0.23 0.00 -0.91 0.00 0.00 33.84 32.97 2py8 n VAL 82 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2py8 h LEU 83 N 0.00 0.67 -0.27 7.52 3.38 -1.02 -1.99 115.31 123.60 2py8 h LEU 83 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2py8 h LEU 83 Cb 0.66 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2py8 h LEU 83 CO 0.00 0.31 0.00 0.47 0.09 0.00 0.00 178.44 179.31 2py8 n ASP 84 N -4.78 0.70 0.06 -0.43 8.00 -1.26 -2.52 116.55 116.33 2py8 n ASP 84 Ca 0.18 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.40 2py8 n ASP 84 Cb 0.41 -0.78 0.11 0.00 -0.02 0.00 0.00 41.12 40.84 2py8 n ASP 84 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2py8 h PHE 85 N 0.00 0.00 -0.46 1.24 -1.00 -1.71 -3.41 116.94 111.60 2py8 h PHE 85 Ca 0.00 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 2py8 h PHE 85 Cb 0.57 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.11 2py8 h PHE 85 CO 0.00 0.00 0.11 -0.07 -1.61 0.00 0.00 178.31 176.74 2py8 h LEU 86 N 0.00 0.69 -0.21 1.54 3.38 -1.44 -0.48 115.31 118.79 2py8 h LEU 86 Ca 0.00 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.77 2py8 h LEU 86 Cb 0.79 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2py8 h LEU 86 CO 0.00 0.74 0.04 -0.65 0.09 0.00 0.00 178.44 178.66 2py8 h PRO 87 N 0.61 0.12 -0.15 1.13 0.11 -1.79 -1.13 132.00 130.90 2py8 h PRO 87 Ca 0.14 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 2py8 h PRO 87 Cb 0.32 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2py8 h PRO 87 CO 0.00 0.08 0.04 0.78 -0.21 0.00 0.00 178.00 178.69 2py8 h GLY 88 N 0.12 0.25 1.53 -0.55 0.00 -1.80 -2.26 103.07 100.37 2py8 h GLY 88 Ca 0.10 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 2py8 h GLY 88 CO -0.13 0.14 -0.10 -0.33 0.00 0.00 0.00 176.54 176.12 2py8 h MET 89 N 0.06 0.56 -0.35 4.80 2.86 -1.04 -2.17 114.93 119.64 2py8 h MET 89 Ca 0.05 -0.16 -0.14 0.00 -2.06 0.00 0.00 59.70 57.38 2py8 h MET 89 Cb 0.23 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2py8 h MET 89 CO -0.00 0.66 -0.34 1.15 1.06 0.00 0.00 176.91 179.44 2py8 h THR 90 N 0.52 1.28 -0.74 2.22 2.02 -1.19 -0.41 112.91 116.61 2py8 h THR 90 Ca 0.10 -1.52 0.03 0.00 0.77 0.00 0.00 66.41 65.79 2py8 h THR 90 Cb 0.49 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 2py8 h THR 90 CO 0.03 0.50 0.47 0.03 0.37 0.00 0.00 175.52 176.92 2py8 h ARG 91 N 0.65 0.90 -0.35 6.66 3.08 -1.03 0.29 114.38 124.59 2py8 h ARG 91 Ca 0.06 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 2py8 h ARG 91 Cb 0.93 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2py8 h ARG 91 CO 0.09 0.60 -0.19 -0.91 -1.07 0.00 0.00 179.97 178.49 2py8 h ASN 92 N 0.93 0.65 -0.50 7.04 2.35 -1.26 -0.86 115.58 123.92 2py8 h ASN 92 Ca 0.29 -0.21 -0.11 0.00 -0.55 0.00 0.00 56.30 55.72 2py8 h ASN 92 Cb -0.00 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 2py8 h ASN 92 CO -0.10 0.84 -0.13 -1.28 -1.65 0.00 0.00 177.43 175.11 2py8 h SER 93 N 0.58 0.99 -0.58 5.81 0.87 -0.43 -1.25 113.55 119.54 2py8 h SER 93 Ca 0.09 -0.36 -0.08 0.00 -1.23 0.00 0.00 61.79 60.21 2py8 h SER 93 Cb 0.64 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 2py8 h SER 93 CO 0.05 1.13 0.05 -0.07 -0.53 0.00 0.00 176.83 177.45 2py8 h LEU 94 N 0.84 0.96 -0.85 2.23 3.38 -0.26 -0.71 115.31 120.90 2py8 h LEU 94 Ca 0.13 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.85 2py8 h LEU 94 Cb 0.70 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2py8 h LEU 94 CO 0.05 1.00 0.55 0.00 0.09 0.00 0.00 178.44 180.13 2py8 h ALA 95 N 0.99 1.13 -0.64 1.53 0.00 -1.00 -0.18 119.26 121.09 2py8 h ALA 95 Ca 0.17 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2py8 h ALA 95 Cb 0.48 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2py8 h ALA 95 CO 0.02 0.37 0.13 0.93 0.00 0.00 0.00 179.25 180.70 2py8 h GLU 96 N 1.05 1.05 0.02 0.00 5.08 -0.80 -2.20 114.58 118.78 2py8 h GLU 96 Ca 0.35 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2py8 h GLU 96 Cb 0.03 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2py8 h GLU 96 CO -0.12 0.96 -0.15 1.03 -1.00 0.00 0.00 179.01 179.73 2py8 h SER 97 N 0.96 -0.42 -0.83 1.42 0.87 -0.61 0.12 113.55 115.06 2py8 h SER 97 Ca 0.20 0.06 0.08 0.00 -1.23 0.00 0.00 61.79 60.89 2py8 h SER 97 Cb 0.41 0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 62.47 2py8 h SER 97 CO 0.01 -0.21 0.50 0.78 -0.53 0.00 0.00 176.83 177.38 2py8 h ASN 98 N -0.25 0.75 -0.30 6.23 2.35 -0.94 -0.33 115.58 123.08 2py8 h ASN 98 Ca 0.04 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2py8 h ASN 98 Cb 0.31 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2py8 h ASN 98 CO -0.13 0.46 0.15 0.40 -1.65 0.00 0.00 177.43 176.65 2py8 h ILE 99 N 0.87 1.15 -0.63 2.81 2.04 -1.06 0.10 117.51 122.80 2py8 h ILE 99 Ca 0.38 -0.42 -0.09 0.00 1.00 0.00 0.00 64.86 65.74 2py8 h ILE 99 Cb 0.26 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2py8 h ILE 99 CO -0.21 0.15 0.05 0.00 0.00 0.00 0.00 178.15 178.15 2py8 h ALA 100 N 1.01 0.90 -0.07 1.87 0.00 -0.07 0.21 119.26 123.10 2py8 h ALA 100 Ca 0.10 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 2py8 h ALA 100 Cb 0.11 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.67 2py8 h ALA 100 CO -0.01 0.66 -0.66 0.45 0.00 0.00 0.00 179.25 179.69 2py8 h HIS 101 N 0.99 0.81 -0.80 0.00 3.86 -1.01 -1.81 115.15 117.19 2py8 h HIS 101 Ca 0.19 -0.39 0.06 0.00 -1.16 0.00 0.00 60.37 59.07 2py8 h HIS 101 Cb 0.49 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.79 2py8 h HIS 101 CO 0.03 1.19 0.48 -0.09 0.86 0.00 0.00 177.93 180.41 2py8 h ARG 102 N 0.19 0.85 -0.79 2.45 2.43 -0.65 -0.79 114.38 118.08 2py8 h ARG 102 Ca -0.06 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2py8 h ARG 102 Cb 1.32 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.63 2py8 h ARG 102 CO 0.13 0.56 0.52 -0.09 -1.51 0.00 0.00 179.97 179.59 2py8 h ARG 103 N 0.88 0.98 -0.48 0.20 2.43 -0.34 -0.13 114.38 117.91 2py8 h ARG 103 Ca 0.36 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 2py8 h ARG 103 Cb 0.19 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2py8 h ARG 103 CO -0.18 0.65 0.19 1.25 -1.51 0.00 0.00 179.97 180.37 2py8 h HIS 104 N 1.01 0.74 -0.89 2.20 2.76 -0.75 -0.97 115.15 119.25 2py8 h HIS 104 Ca 0.30 -0.06 0.05 0.00 -2.20 0.00 0.00 60.37 58.47 2py8 h HIS 104 Cb -0.03 -0.22 -0.06 0.00 1.55 0.00 0.00 27.41 28.65 2py8 h HIS 104 CO -0.00 0.62 0.57 -0.07 -1.30 0.00 0.00 177.93 177.75 2py8 h LEU 105 N 0.64 0.91 -1.02 0.26 3.38 -0.05 -1.48 115.31 117.94 2py8 h LEU 105 Ca 0.16 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 2py8 h LEU 105 Cb 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2py8 h LEU 105 CO -0.01 0.60 -0.17 -0.07 0.09 0.00 0.00 178.44 178.88 2py8 h LEU 106 N 1.06 0.50 -1.04 1.67 -0.00 -0.57 0.10 115.31 117.03 2py8 h LEU 106 Ca 0.38 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 58.12 2py8 h LEU 106 Cb 0.11 -0.13 -0.05 0.00 -0.00 0.00 0.00 40.66 40.59 2py8 h LEU 106 CO -0.15 0.69 0.61 -0.08 -0.00 0.00 0.00 178.44 179.50 2py8 h GLU 107 N 0.46 1.26 0.45 1.13 4.57 -0.17 -0.13 114.58 122.15 2py8 h GLU 107 Ca 0.08 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2py8 h GLU 107 Cb 0.56 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 2py8 h GLU 107 CO 0.04 0.85 -0.22 -0.09 -1.18 0.00 0.00 179.01 178.41 2py8 h ARG 108 N 1.29 -0.59 -0.91 1.92 2.43 -0.73 -2.90 114.38 114.89 2py8 h ARG 108 Ca 0.34 0.04 0.26 0.00 -0.81 0.00 0.00 59.98 59.81 2py8 h ARG 108 Cb -0.12 0.13 -0.15 0.00 -0.42 0.00 0.00 29.97 29.41 2py8 h ARG 108 CO -0.07 -0.31 0.22 1.25 -1.51 0.00 0.00 179.97 179.56 2py8 h LEU 109 N -1.06 -0.06 -0.82 3.80 6.46 -0.94 0.12 115.31 122.81 2py8 h LEU 109 Ca -0.06 0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.89 2py8 h LEU 109 Cb 0.55 0.31 -0.04 0.00 -0.73 0.00 0.00 40.66 40.75 2py8 h LEU 109 CO 0.10 -0.22 0.41 0.74 -0.62 0.00 0.00 178.44 178.85 2py8 h THR 110 N 0.15 1.25 -0.27 1.05 2.02 -1.00 -0.48 112.91 115.63 2py8 h THR 110 Ca 0.59 -0.69 -0.12 0.00 0.77 0.00 0.00 66.41 66.96 2py8 h THR 110 Cb 1.23 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2py8 h THR 110 CO -0.72 0.30 -0.32 -0.09 0.37 0.00 0.00 175.52 175.06 2py8 h ARG 111 N 1.16 0.58 -0.25 6.66 2.43 -0.62 -2.75 114.38 121.59 2py8 h ARG 111 Ca 0.28 -0.26 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 2py8 h ARG 111 Cb 0.10 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2py8 h ARG 111 CO -0.04 0.83 -0.33 1.15 -1.51 0.00 0.00 179.97 180.08 2py8 h THR 112 N 0.50 1.29 -0.74 0.20 2.02 -0.64 -1.36 112.91 114.17 2py8 h THR 112 Ca 0.06 -1.43 -0.03 0.00 0.77 0.00 0.00 66.41 65.78 2py8 h THR 112 Cb 0.80 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 2py8 h THR 112 CO 0.07 0.45 0.33 0.58 0.37 0.00 0.00 175.52 177.32 2py8 h VAL 113 N 0.45 1.25 -0.42 3.16 2.07 -0.99 0.39 116.25 122.17 2py8 h VAL 113 Ca 0.05 -0.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.74 2py8 h VAL 113 Cb 0.79 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2py8 h VAL 113 CO 0.06 0.30 -0.18 0.00 0.02 0.00 0.00 177.57 177.78 2py8 h ALA 114 N 1.16 0.90 -0.36 1.67 0.00 -1.21 -0.27 119.26 121.16 2py8 h ALA 114 Ca 0.25 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2py8 h ALA 114 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2py8 h ALA 114 CO -0.03 0.63 0.20 0.93 0.00 0.00 0.00 179.25 180.97 2py8 h GLU 115 N 0.71 0.49 -0.23 0.00 5.08 -0.85 -1.22 114.58 118.56 2py8 h GLU 115 Ca 0.11 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 2py8 h GLU 115 Cb 0.68 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2py8 h GLU 115 CO 0.05 0.41 -0.27 0.28 -1.00 0.00 0.00 179.01 178.48 2py8 h VAL 116 N 0.45 1.32 0.00 3.13 2.07 -0.80 -2.03 116.25 120.39 2py8 h VAL 116 Ca 0.13 -1.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.13 2py8 h VAL 116 Cb 0.06 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2py8 h VAL 116 CO -0.02 0.45 -0.27 -0.78 0.02 0.00 0.00 177.57 176.97 2py8 h ASP 117 N 0.28 0.00 0.00 0.57 3.58 -1.00 -3.15 116.42 116.70 2py8 h ASP 117 Ca 0.03 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 2py8 h ASP 117 Cb 0.84 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 2py8 h ASP 117 CO 0.07 0.27 -0.32 0.59 -2.88 0.00 0.00 179.24 176.97 2py8 n ASN 118 N -4.15 1.90 -4.58 2.28 3.02 -0.47 -5.07 115.26 108.19 2py8 n ASN 118 Ca -0.02 -3.48 -0.50 0.00 -0.03 0.00 0.00 54.58 50.54 2py8 n ASN 118 Cb 0.33 -0.48 -0.05 0.00 -0.61 0.00 0.00 39.78 38.97 2py8 n ASN 118 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2py8 n PHE 119 N -1.17 1.34 -2.76 3.10 7.35 -0.76 -3.31 117.46 121.25 2py8 n PHE 119 Ca 0.17 0.68 -0.43 0.00 -0.76 0.00 0.00 57.45 57.11 2py8 n PHE 119 Cb 0.68 -2.29 -0.04 0.00 0.35 0.00 0.00 39.48 38.19 2py8 n PHE 119 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2py8 s PRO 120 N -0.04 3.30 0.00 -7.13 0.04 -1.26 -5.09 135.00 124.82 2py8 s PRO 120 Ca 0.78 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.54 2py8 s PRO 120 Cb -0.90 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 29.54 2py8 s PRO 120 CO 0.50 -1.67 0.00 0.45 0.04 0.00 0.00 177.00 176.33