#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r80 s HIS 2 N 0.00 2.66 -0.21 3.52 5.65 -1.26 -5.04 115.29 120.61 2r80 s HIS 2 Ca 0.00 -0.39 -0.02 0.00 0.25 0.00 0.00 55.06 54.90 2r80 s HIS 2 Cb 0.00 -1.67 0.01 0.00 -1.18 0.00 0.00 32.58 29.74 2r80 s HIS 2 CO 0.00 0.01 -0.09 -1.58 -0.65 0.00 0.00 174.74 172.42 2r80 s TRP 3 N -0.36 2.92 0.78 3.88 0.52 -1.26 -5.13 118.94 120.29 2r80 s TRP 3 Ca 0.03 -1.27 -0.11 0.00 0.02 0.00 0.00 56.10 54.77 2r80 s TRP 3 Cb -0.12 -2.04 0.06 0.00 -1.15 0.00 0.00 33.47 30.21 2r80 s TRP 3 CO 0.02 -0.66 1.08 -1.54 0.02 0.00 0.00 176.95 175.87 2r80 s SER 4 N 1.39 4.58 0.26 2.95 1.04 -1.26 -4.87 113.70 117.79 2r80 s SER 4 Ca 0.05 1.57 -0.03 0.00 0.48 0.00 0.00 55.95 58.02 2r80 s SER 4 Cb -0.14 -2.33 0.41 0.00 0.10 0.00 0.00 66.02 64.06 2r80 s SER 4 CO -0.06 -1.95 1.87 0.00 0.98 0.00 0.00 173.24 174.07 2r80 h ALA 5 N -1.07 1.37 -0.49 5.32 0.00 -2.00 -0.75 119.26 121.64 2r80 h ALA 5 Ca -0.46 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 2r80 h ALA 5 Cb 1.24 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2r80 h ALA 5 CO 0.56 0.38 0.14 0.93 0.00 0.00 0.00 179.25 181.26 2r80 h GLU 6 N 1.11 0.77 -0.41 0.00 3.07 -1.99 -1.22 114.58 115.91 2r80 h GLU 6 Ca 0.43 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.36 59.09 2r80 h GLU 6 Cb 0.21 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 2r80 h GLU 6 CO -0.19 0.73 0.14 0.93 -1.40 0.00 0.00 179.01 179.23 2r80 h GLU 7 N 0.66 0.63 -0.79 2.33 5.08 -1.82 -1.34 114.58 119.33 2r80 h GLU 7 Ca 0.16 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2r80 h GLU 7 Cb 0.29 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 2r80 h GLU 7 CO -0.00 0.61 0.48 0.87 -1.00 0.00 0.00 179.01 179.97 2r80 h LYS 8 N 0.52 0.85 -0.46 2.33 1.57 -0.94 -1.57 116.57 118.87 2r80 h LYS 8 Ca 0.13 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 2r80 h LYS 8 Cb 0.23 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2r80 h LYS 8 CO -0.01 0.56 -0.16 0.37 -0.57 0.00 0.00 179.45 179.65 2r80 h GLN 9 N 0.88 0.87 -0.47 3.15 5.75 -0.98 -0.45 115.11 123.87 2r80 h GLN 9 Ca 0.35 -0.33 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 2r80 h GLN 9 Cb 0.16 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 2r80 h GLN 9 CO -0.17 0.97 0.01 -0.07 -2.65 0.00 0.00 178.83 176.91 2r80 h LEU 10 N 0.77 0.75 0.07 -2.39 3.38 -0.84 -2.05 115.31 115.00 2r80 h LEU 10 Ca 0.12 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2r80 h LEU 10 Cb 0.69 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2r80 h LEU 10 CO 0.05 0.81 -0.03 0.40 0.09 0.00 0.00 178.44 179.76 2r80 h ILE 11 N 0.73 1.23 0.00 1.22 2.04 -1.12 -3.20 117.51 118.42 2r80 h ILE 11 Ca 0.14 -1.35 -0.10 0.00 1.00 0.00 0.00 64.86 64.55 2r80 h ILE 11 Cb 0.44 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 2r80 h ILE 11 CO 0.02 0.32 -0.49 0.71 0.00 0.00 0.00 178.15 178.70 2r80 h THR 12 N -0.74 1.31 -0.19 -0.27 1.35 -1.12 -0.71 112.91 112.55 2r80 h THR 12 Ca -0.01 -1.72 -0.16 0.00 -0.55 0.00 0.00 66.41 63.97 2r80 h THR 12 Cb 0.59 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 2r80 h THR 12 CO 0.02 0.48 -0.52 0.77 -0.25 0.00 0.00 175.52 176.02 2r80 h SER 13 N 0.00 0.78 -0.18 5.36 4.64 -1.50 -0.45 113.55 122.21 2r80 h SER 13 Ca -0.00 -0.58 -0.02 0.00 -0.47 0.00 0.00 61.79 60.72 2r80 h SER 13 Cb 0.90 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 2r80 h SER 13 CO 0.06 1.23 0.05 0.40 -0.87 0.00 0.00 176.83 177.70 2r80 h ILE 14 N 0.38 1.19 -0.64 0.95 1.08 -1.52 -3.18 117.51 115.76 2r80 h ILE 14 Ca -0.01 -0.60 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 2r80 h ILE 14 Cb 1.14 1.25 -0.03 0.00 -3.07 0.00 0.00 36.82 36.11 2r80 h ILE 14 CO 0.11 0.19 0.34 -0.25 -0.69 0.00 0.00 178.15 177.85 2r80 h TRP 15 N 0.11 0.87 0.00 1.37 2.91 -0.97 -1.75 115.95 118.49 2r80 h TRP 15 Ca 0.06 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.06 2r80 h TRP 15 Cb 0.24 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.61 2r80 h TRP 15 CO 0.00 0.62 0.09 0.78 -1.03 0.00 0.00 178.44 178.90 2r80 h GLY 16 N 0.96 0.00 -0.91 2.65 0.00 -1.05 -1.75 103.07 102.97 2r80 h GLY 16 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2r80 h GLY 16 CO -0.04 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.78 2r80 n LYS 17 N -2.73 1.09 -2.55 4.80 5.02 -0.67 -5.00 118.16 118.12 2r80 n LYS 17 Ca -0.02 -1.35 -0.42 0.00 -2.02 0.00 0.00 58.31 54.50 2r80 n LYS 17 Cb 0.14 -1.21 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 2r80 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2r80 s VAL 18 N -0.89 4.42 -0.56 -0.18 1.01 -0.66 -5.00 120.40 118.54 2r80 s VAL 18 Ca 0.14 1.73 -0.24 0.00 0.00 0.00 0.00 61.98 63.62 2r80 s VAL 18 Cb 0.09 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.40 2r80 s VAL 18 CO 0.13 0.11 0.95 0.21 0.00 0.00 0.00 175.10 176.50 2r80 s ASN 19 N 1.10 6.33 0.33 3.32 3.84 -1.26 -4.93 114.94 123.66 2r80 s ASN 19 Ca 0.55 -0.39 0.05 0.00 0.21 0.00 0.00 52.86 53.29 2r80 s ASN 19 Cb -0.25 -2.44 0.58 0.00 -0.55 0.00 0.00 41.25 38.59 2r80 s ASN 19 CO 0.27 -1.26 1.83 0.58 -2.79 0.00 0.00 177.10 175.73 2r80 h VAL 20 N 6.02 1.22 0.11 -5.21 2.07 -1.94 -0.04 116.25 118.48 2r80 h VAL 20 Ca -0.26 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 2r80 h VAL 20 Cb 1.07 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2r80 h VAL 20 CO 1.10 0.31 -0.05 0.00 0.02 0.00 0.00 177.57 178.95 2r80 h ALA 21 N 1.47 -0.15 -0.12 1.67 0.00 -1.91 0.30 119.26 120.51 2r80 h ALA 21 Ca 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2r80 h ALA 21 Cb 0.47 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2r80 h ALA 21 CO 0.03 -0.46 -0.01 -0.44 0.00 0.00 0.00 179.25 178.37 2r80 h ASP 22 N -0.41 0.21 0.01 0.00 3.45 -1.89 -1.48 116.42 116.31 2r80 h ASP 22 Ca -0.02 -0.32 -0.08 0.00 0.43 0.00 0.00 57.03 57.05 2r80 h ASP 22 Cb 0.34 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.04 2r80 h ASP 22 CO 0.03 0.48 -0.21 0.00 -1.57 0.00 0.00 179.24 177.96 2r80 h GLY 24 N 0.96 0.67 0.35 0.00 0.00 -0.85 -1.00 103.07 103.20 2r80 h GLY 24 Ca 0.05 -0.89 0.11 0.00 0.00 0.00 0.00 47.33 46.61 2r80 h GLY 24 CO 0.04 0.79 0.33 0.00 0.00 0.00 0.00 176.54 177.71 2r80 h ALA 25 N 0.54 1.01 -0.18 3.60 0.00 -1.22 -2.02 119.26 120.99 2r80 h ALA 25 Ca -0.02 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2r80 h ALA 25 Cb 1.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2r80 h ALA 25 CO 0.11 -0.11 0.03 0.93 0.00 0.00 0.00 179.25 180.21 2r80 h GLU 26 N 0.54 0.30 -0.45 0.00 4.39 -1.25 -2.11 114.58 115.99 2r80 h GLU 26 Ca 0.37 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.97 2r80 h GLU 26 Cb 0.47 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 2r80 h GLU 26 CO -0.32 0.46 0.19 0.00 -1.16 0.00 0.00 179.01 178.19 2r80 h ALA 27 N 0.82 0.58 -0.04 3.43 0.00 -0.98 -1.23 119.26 121.85 2r80 h ALA 27 Ca 0.05 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 2r80 h ALA 27 Cb 0.31 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2r80 h ALA 27 CO 0.00 0.17 -0.91 1.25 0.00 0.00 0.00 179.25 179.77 2r80 h LEU 28 N 0.58 0.73 -0.68 0.00 5.85 -1.39 -1.32 115.31 119.08 2r80 h LEU 28 Ca 0.15 -0.54 0.03 0.00 0.84 0.00 0.00 57.88 58.36 2r80 h LEU 28 Cb 0.16 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 2r80 h LEU 28 CO -0.02 1.33 0.42 0.00 -0.34 0.00 0.00 178.44 179.84 2r80 h ALA 29 N 0.63 0.89 -0.59 1.25 0.00 -1.32 -2.05 119.26 118.07 2r80 h ALA 29 Ca -0.08 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2r80 h ALA 29 Cb 1.54 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2r80 h ALA 29 CO 0.17 0.17 0.07 0.00 0.00 0.00 0.00 179.25 179.66 2r80 h ARG 30 N 0.81 0.98 -0.29 0.00 3.08 -1.07 -1.14 114.38 116.75 2r80 h ARG 30 Ca 0.28 -0.26 0.04 0.00 0.07 0.00 0.00 59.98 60.11 2r80 h ARG 30 Cb 0.04 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 2r80 h ARG 30 CO -0.12 0.92 0.06 1.25 -1.07 0.00 0.00 179.97 181.02 2r80 h LEU 31 N 0.91 0.03 -1.00 3.04 5.85 -0.84 0.15 115.31 123.44 2r80 h LEU 31 Ca 0.18 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 2r80 h LEU 31 Cb 0.44 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2r80 h LEU 31 CO 0.01 0.05 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.67 2r80 h LEU 32 N 0.17 0.15 0.12 2.25 3.38 -1.01 -1.91 115.31 118.47 2r80 h LEU 32 Ca 0.13 -0.06 -0.30 0.00 0.09 0.00 0.00 57.88 57.73 2r80 h LEU 32 Cb 0.13 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2r80 h LEU 32 CO -0.17 0.57 -1.58 0.40 0.09 0.00 0.00 178.44 177.74 2r80 h ILE 33 N 0.12 0.92 0.05 1.22 2.04 -1.02 -3.31 117.51 117.53 2r80 h ILE 33 Ca 0.01 -2.39 -0.23 0.00 1.00 0.00 0.00 64.86 63.25 2r80 h ILE 33 Cb 0.81 2.64 -0.00 0.00 -0.74 0.00 0.00 36.82 39.52 2r80 h ILE 33 CO 0.06 0.74 -1.03 0.58 0.00 0.00 0.00 178.15 178.50 2r80 h VAL 34 N -0.21 1.48 -2.56 1.67 2.07 -0.77 -3.37 116.25 114.56 2r80 h VAL 34 Ca -0.34 -2.78 -0.60 0.00 0.82 0.00 0.00 66.70 63.80 2r80 h VAL 34 Cb 1.84 2.65 -0.41 0.00 -1.52 0.00 0.00 31.29 33.85 2r80 h VAL 34 CO 0.06 0.81 -0.72 -1.22 0.02 0.00 0.00 177.57 176.53 2r80 n TYR 35 N -3.62 2.20 0.30 1.57 4.01 -0.72 -5.00 117.16 115.91 2r80 n TYR 35 Ca -0.06 -4.00 0.19 0.00 -0.16 0.00 0.00 57.90 53.87 2r80 n TYR 35 Cb 0.90 -0.42 0.90 0.00 -0.31 0.00 0.00 39.34 40.41 2r80 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2r80 h PRO 36 N 4.89 0.00 0.00 -0.72 0.11 -1.74 -1.26 132.00 133.27 2r80 h PRO 36 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 2r80 h PRO 36 Cb 0.77 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 2r80 h PRO 36 CO 0.66 0.00 -0.01 0.11 -0.21 0.00 0.00 178.00 178.55 2r80 h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.98 115.95 112.79 2r80 h TRP 37 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 58.98 2r80 h TRP 37 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.47 2r80 h TRP 37 CO 0.00 0.01 -0.01 1.79 0.09 0.00 0.00 178.44 180.32 2r80 h THR 38 N 0.00 0.07 -0.29 0.12 1.35 -1.53 -1.96 112.91 110.66 2r80 h THR 38 Ca -0.00 -0.27 0.08 0.00 -0.55 0.00 0.00 66.41 65.67 2r80 h THR 38 Cb 0.05 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 2r80 h THR 38 CO 0.00 0.01 0.27 1.56 -0.25 0.00 0.00 175.52 177.12 2r80 h GLN 39 N 0.00 0.00 -0.55 4.72 4.20 -1.56 -2.07 115.11 119.85 2r80 h GLN 39 Ca -0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 2r80 h GLN 39 Cb 0.25 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 2r80 h GLN 39 CO 0.00 0.00 0.37 -0.09 -0.67 0.00 0.00 178.83 178.44 2r80 h ARG 40 N 0.00 0.30 0.00 1.46 2.43 -1.56 -1.73 114.38 115.29 2r80 h ARG 40 Ca 0.14 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2r80 h ARG 40 Cb 0.68 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2r80 h ARG 40 CO -0.00 0.20 0.00 1.19 -1.51 0.00 0.00 179.97 179.85 2r80 n PHE 41 N -4.46 0.23 -2.09 2.20 3.01 -0.78 -4.05 117.46 111.53 2r80 n PHE 41 Ca 0.09 0.07 -0.19 0.00 1.01 0.00 0.00 57.45 58.43 2r80 n PHE 41 Cb 0.40 -0.61 0.04 0.00 -0.01 0.00 0.00 39.48 39.29 2r80 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2r80 n PHE 42 N -1.69 2.34 0.01 1.38 3.01 -0.65 -4.84 117.46 117.03 2r80 n PHE 42 Ca 0.06 -2.14 0.04 0.00 1.01 0.00 0.00 57.45 56.42 2r80 n PHE 42 Cb 0.34 -0.32 0.43 0.00 -0.01 0.00 0.00 39.48 39.92 2r80 n PHE 42 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2r80 h SER 43 N 2.13 0.45 0.00 4.37 4.64 -1.70 -1.98 113.55 121.46 2r80 h SER 43 Ca 0.28 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2r80 h SER 43 Cb 1.47 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2r80 h SER 43 CO 0.63 0.34 0.00 -1.54 -0.87 0.00 0.00 176.83 175.39 2r80 n SER 44 N -4.47 0.00 -0.21 4.97 3.41 -1.26 -3.68 113.62 112.38 2r80 n SER 44 Ca 0.03 -0.95 0.15 0.00 -0.26 0.00 0.00 58.87 57.83 2r80 n SER 44 Cb 0.07 0.00 0.68 0.00 -0.26 0.00 0.00 64.21 64.69 2r80 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2r80 n PHE 45 N -0.97 0.00 -0.26 7.33 0.99 -0.74 -5.03 117.46 118.78 2r80 n PHE 45 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.65 2r80 n PHE 45 Cb 0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 39.48 38.51 2r80 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2r80 n GLY 46 N 1.16 0.78 3.59 1.37 0.00 -1.24 -4.68 105.19 106.17 2r80 n GLY 46 Ca 0.19 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 2r80 n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2r80 s ASN 47 N -4.00 6.41 -0.18 1.61 3.84 -1.26 -4.83 114.94 116.54 2r80 s ASN 47 Ca 0.00 0.49 0.13 0.00 0.21 0.00 0.00 52.86 53.69 2r80 s ASN 47 Cb 0.00 -2.55 0.42 0.00 -0.55 0.00 0.00 41.25 38.58 2r80 s ASN 47 CO 0.00 -1.44 1.21 0.18 -2.79 0.00 0.00 177.10 174.26 2r80 n LEU 48 N 8.59 2.54 0.16 3.21 4.77 -1.26 -4.30 117.00 130.71 2r80 n LEU 48 Ca 0.13 -3.64 0.13 0.00 -0.03 0.00 0.00 56.01 52.60 2r80 n LEU 48 Cb 0.49 -0.42 0.43 0.00 -2.33 0.00 0.00 43.42 41.59 2r80 n LEU 48 CO 0.71 1.30 0.88 0.77 -1.33 0.00 0.00 177.39 179.72 2r80 h SER 49 N 1.08 0.00 -5.06 -1.43 4.64 -1.92 -3.46 113.55 107.41 2r80 h SER 49 Ca -0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 2r80 h SER 49 Cb 1.18 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.17 2r80 h SER 49 CO 0.06 0.00 0.09 -0.94 -0.87 0.00 0.00 176.83 175.17 2r80 s SER 50 N -4.90 -0.32 0.24 4.97 1.04 -1.26 -5.01 113.70 108.46 2r80 s SER 50 Ca 0.07 -0.41 -0.06 0.00 0.48 0.00 0.00 55.95 56.03 2r80 s SER 50 Cb 0.10 0.60 0.30 0.00 0.10 0.00 0.00 66.02 67.12 2r80 s SER 50 CO 0.54 -1.08 1.86 0.00 0.98 0.00 0.00 173.24 175.54 2r80 h ALA 51 N 2.13 1.14 -0.40 5.32 0.00 -1.99 -0.79 119.26 124.68 2r80 h ALA 51 Ca -0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2r80 h ALA 51 Cb 1.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2r80 h ALA 51 CO 0.35 0.30 0.15 1.15 0.00 0.00 0.00 179.25 181.20 2r80 h THR 52 N 0.98 1.20 -0.68 0.00 2.02 -1.99 -1.81 112.91 112.64 2r80 h THR 52 Ca 0.36 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 2r80 h THR 52 Cb 0.12 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 2r80 h THR 52 CO -0.15 0.22 0.34 0.00 0.37 0.00 0.00 175.52 176.30 2r80 h ALA 53 N 1.00 1.32 -0.24 6.16 0.00 -1.79 -1.89 119.26 123.82 2r80 h ALA 53 Ca 0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2r80 h ALA 53 Cb 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2r80 h ALA 53 CO -0.01 0.54 -0.05 0.82 0.00 0.00 0.00 179.25 180.55 2r80 h ILE 54 N 0.95 1.28 0.00 0.00 2.04 -0.85 -0.98 117.51 119.95 2r80 h ILE 54 Ca 0.24 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 2r80 h ILE 54 Cb 0.08 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2r80 h ILE 54 CO -0.03 0.32 -0.19 0.28 0.00 0.00 0.00 178.15 178.52 2r80 h SER 55 N 0.20 0.00 0.13 1.72 0.02 -1.15 -2.51 113.55 111.95 2r80 h SER 55 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2r80 h SER 55 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2r80 h SER 55 CO 0.02 0.19 -0.19 0.61 -1.14 0.00 0.00 176.83 176.33 2r80 n GLY 56 N -0.74 -0.29 3.66 -3.77 0.00 -0.73 -4.92 105.19 98.40 2r80 n GLY 56 Ca -0.02 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 2r80 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2r80 s ASN 57 N -2.32 6.94 0.44 1.61 3.84 -0.40 -4.91 114.94 120.13 2r80 s ASN 57 Ca 0.28 1.60 0.23 0.00 0.21 0.00 0.00 52.86 55.18 2r80 s ASN 57 Cb 0.20 -2.54 0.98 0.00 -0.55 0.00 0.00 41.25 39.34 2r80 s ASN 57 CO 0.46 -0.78 1.87 1.55 -2.79 0.00 0.00 177.10 177.40 2r80 h PRO 58 N 8.20 0.00 -0.16 0.43 0.13 -1.90 -2.30 132.00 136.40 2r80 h PRO 58 Ca -0.25 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.67 2r80 h PRO 58 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2r80 h PRO 58 CO 0.98 0.25 -0.71 -0.91 -0.23 0.00 0.00 178.00 177.38 2r80 h ASN 59 N 0.00 0.82 -0.44 1.44 2.35 -1.91 -0.21 115.58 117.64 2r80 h ASN 59 Ca -0.00 -0.51 -0.00 0.00 -0.55 0.00 0.00 56.30 55.24 2r80 h ASN 59 Cb 0.68 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 2r80 h ASN 59 CO 0.03 1.29 0.26 0.58 -1.65 0.00 0.00 177.43 177.95 2r80 h VAL 60 N 0.50 1.14 -0.27 2.81 2.07 -1.80 -0.70 116.25 119.99 2r80 h VAL 60 Ca -0.03 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2r80 h VAL 60 Cb 1.31 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2r80 h VAL 60 CO 0.14 0.14 0.15 0.11 0.02 0.00 0.00 177.57 178.13 2r80 h LYS 61 N 0.58 0.30 -0.25 1.57 1.57 -1.27 -0.07 116.57 119.00 2r80 h LYS 61 Ca 0.16 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2r80 h LYS 61 Cb -0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2r80 h LYS 61 CO -0.03 0.20 0.10 0.00 -0.57 0.00 0.00 179.45 179.14 2r80 h ALA 62 N 1.13 0.32 -0.69 3.86 0.00 -0.89 -2.58 119.26 120.41 2r80 h ALA 62 Ca 0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2r80 h ALA 62 Cb 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2r80 h ALA 62 CO -0.06 -0.08 0.15 1.25 0.00 0.00 0.00 179.25 180.51 2r80 h HIS 63 N 0.25 1.18 -0.91 0.00 -0.00 -1.02 -2.64 115.15 112.00 2r80 h HIS 63 Ca 0.08 -0.15 0.13 0.00 -0.00 0.00 0.00 60.37 60.44 2r80 h HIS 63 Cb 0.18 -0.33 -0.09 0.00 -0.00 0.00 0.00 27.41 27.18 2r80 h HIS 63 CO -0.01 0.96 0.53 0.78 -0.00 0.00 0.00 177.93 180.20 2r80 h GLY 64 N 1.07 1.49 1.03 5.26 0.00 -0.86 -0.61 103.07 110.46 2r80 h GLY 64 Ca 0.22 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 2r80 h GLY 64 CO 0.01 0.07 0.42 1.70 0.00 0.00 0.00 176.54 178.73 2r80 h LYS 65 N 0.80 1.17 -0.64 4.80 3.64 -1.09 -1.69 116.57 123.56 2r80 h LYS 65 Ca 0.47 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.66 2r80 h LYS 65 Cb 0.56 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2r80 h LYS 65 CO -0.30 0.89 0.27 0.87 -2.27 0.00 0.00 179.45 178.90 2r80 h LYS 66 N 1.16 0.95 -0.19 1.90 1.57 -1.02 -0.76 116.57 120.18 2r80 h LYS 66 Ca 0.29 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2r80 h LYS 66 Cb 0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2r80 h LYS 66 CO -0.04 0.80 0.09 0.28 -0.57 0.00 0.00 179.45 180.00 2r80 h VAL 67 N 0.90 1.14 -0.09 0.50 2.07 -0.88 -1.53 116.25 118.36 2r80 h VAL 67 Ca 0.22 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 67.20 2r80 h VAL 67 Cb 0.19 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2r80 h VAL 67 CO -0.02 0.14 -0.47 -0.07 0.02 0.00 0.00 177.57 177.17 2r80 h LEU 68 N 0.17 0.24 -1.23 2.57 4.07 -1.18 -1.42 115.31 118.53 2r80 h LEU 68 Ca 0.07 -0.11 0.04 0.00 0.08 0.00 0.00 57.88 57.95 2r80 h LEU 68 Cb 0.14 -0.07 -0.05 0.00 1.08 0.00 0.00 40.66 41.77 2r80 h LEU 68 CO -0.01 0.67 0.53 0.74 -1.08 0.00 0.00 178.44 179.30 2r80 h THR 69 N 0.18 1.12 -0.25 0.22 2.02 -0.90 -1.01 112.91 114.28 2r80 h THR 69 Ca 0.01 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 2r80 h THR 69 Cb 0.90 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2r80 h THR 69 CO 0.07 0.18 0.05 -1.28 0.37 0.00 0.00 175.52 174.91 2r80 h SER 70 N 0.99 0.39 -0.82 4.18 0.87 -0.52 -1.35 113.55 117.28 2r80 h SER 70 Ca 0.33 -0.25 0.14 0.00 -1.23 0.00 0.00 61.79 60.78 2r80 h SER 70 Cb 0.07 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 61.86 2r80 h SER 70 CO -0.10 0.54 0.54 -0.26 -0.53 0.00 0.00 176.83 177.02 2r80 h PHE 71 N 0.23 0.65 -0.45 2.24 -1.00 -0.76 0.77 116.94 118.62 2r80 h PHE 71 Ca 0.08 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.90 2r80 h PHE 71 Cb 0.31 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 2r80 h PHE 71 CO 0.02 0.25 0.30 0.78 -1.61 0.00 0.00 178.31 178.04 2r80 h GLY 72 N 0.55 0.59 2.00 -1.45 0.00 -0.09 -1.22 103.07 103.45 2r80 h GLY 72 Ca 0.41 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 2r80 h GLY 72 CO -0.16 0.20 -0.24 -0.55 0.00 0.00 0.00 176.54 175.78 2r80 h ASP 73 N 0.54 0.00 -0.04 0.19 3.32 -0.28 -1.84 116.42 118.32 2r80 h ASP 73 Ca 0.18 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2r80 h ASP 73 Cb 0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 2r80 h ASP 73 CO -0.04 0.24 -0.05 0.00 -1.72 0.00 0.00 179.24 177.67 2r80 h ALA 74 N 1.76 0.06 -0.97 3.45 0.00 -1.11 -3.22 119.26 119.23 2r80 h ALA 74 Ca -0.00 -0.28 0.13 0.00 0.00 0.00 0.00 54.91 54.75 2r80 h ALA 74 Cb 0.46 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 2r80 h ALA 74 CO 0.03 -0.14 0.59 0.28 0.00 0.00 0.00 179.25 180.01 2r80 h VAL 75 N -0.37 0.88 0.00 0.00 2.07 -1.09 -2.50 116.25 115.24 2r80 h VAL 75 Ca 0.01 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 2r80 h VAL 75 Cb 0.57 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2r80 h VAL 75 CO 0.01 0.17 -0.31 0.11 0.02 0.00 0.00 177.57 177.57 2r80 h LYS 76 N 0.91 0.00 -1.89 1.57 1.57 -1.39 -3.35 116.57 113.99 2r80 h LYS 76 Ca 0.49 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.85 2r80 h LYS 76 Cb 0.54 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.54 2r80 h LYS 76 CO -0.29 0.31 -0.79 1.21 -0.57 0.00 0.00 179.45 179.32 2r80 s ASN 77 N -6.50 0.50 0.42 0.86 3.04 -0.96 -5.01 114.94 107.29 2r80 s ASN 77 Ca -0.01 -2.46 0.09 0.00 0.04 0.00 0.00 52.86 50.51 2r80 s ASN 77 Cb 0.12 0.42 0.92 0.00 -1.54 0.00 0.00 41.25 41.17 2r80 s ASN 77 CO 0.67 -0.14 2.04 -0.07 -3.04 0.00 0.00 177.10 176.55 2r80 h LEU 78 N 5.62 0.32 0.00 3.21 3.38 -1.66 -2.14 115.31 124.05 2r80 h LEU 78 Ca 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2r80 h LEU 78 Cb 0.99 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2r80 h LEU 78 CO 0.24 0.29 0.00 0.47 0.09 0.00 0.00 178.44 179.53 2r80 n ASP 79 N -4.43 0.00 -0.44 -0.43 8.00 -1.26 -3.47 116.55 114.52 2r80 n ASP 79 Ca 0.01 0.25 0.07 0.00 0.71 0.00 0.00 54.79 55.83 2r80 n ASP 79 Cb 0.12 -0.41 0.19 0.00 -0.02 0.00 0.00 41.12 41.00 2r80 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2r80 n ASN 80 N -1.41 1.90 -0.36 -2.24 5.15 -0.81 -4.79 115.26 112.70 2r80 n ASN 80 Ca 0.09 -3.65 0.04 0.00 -0.60 0.00 0.00 54.58 50.46 2r80 n ASN 80 Cb 0.28 -0.50 0.19 0.00 -0.53 0.00 0.00 39.78 39.22 2r80 n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2r80 h ILE 81 N 0.72 1.02 -0.26 -1.44 2.04 -1.58 -1.18 117.51 116.83 2r80 h ILE 81 Ca -0.00 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.53 2r80 h ILE 81 Cb 1.00 -0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2r80 h ILE 81 CO 0.00 0.20 0.03 0.50 0.00 0.00 0.00 178.15 178.88 2r80 h LYS 82 N 1.09 0.12 -0.44 2.37 3.64 -1.90 -2.15 116.57 119.30 2r80 h LYS 82 Ca 0.45 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.74 2r80 h LYS 82 Cb 0.27 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2r80 h LYS 82 CO -0.21 0.08 -0.04 0.78 -2.27 0.00 0.00 179.45 177.80 2r80 h GLY 83 N 0.13 0.86 1.28 5.01 0.00 -1.83 -2.90 103.07 105.62 2r80 h GLY 83 Ca 0.12 -0.66 0.03 0.00 0.00 0.00 0.00 47.33 46.82 2r80 h GLY 83 CO -0.18 0.61 0.42 -0.84 0.00 0.00 0.00 176.54 176.55 2r80 h THR 84 N 0.63 1.10 -0.56 4.70 2.02 -0.91 -2.62 112.91 117.26 2r80 h THR 84 Ca 0.12 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2r80 h THR 84 Cb 0.55 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 2r80 h THR 84 CO 0.03 0.14 0.00 0.49 0.37 0.00 0.00 175.52 176.55 2r80 n PHE 85 N -4.46 0.74 -0.22 3.16 3.01 -0.84 -4.56 117.46 114.29 2r80 n PHE 85 Ca 0.08 -0.37 -0.04 0.00 1.01 0.00 0.00 57.45 58.12 2r80 n PHE 85 Cb 0.12 -0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.65 2r80 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2r80 h ALA 86 N 4.41 0.83 -0.26 4.37 0.00 -1.25 0.10 119.26 127.46 2r80 h ALA 86 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2r80 h ALA 86 Cb 0.99 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2r80 h ALA 86 CO 0.00 0.17 -0.33 1.96 0.00 0.00 0.00 179.25 181.05 2r80 h GLN 87 N 0.80 0.68 0.00 0.00 4.20 -1.80 -2.68 115.11 116.31 2r80 h GLN 87 Ca 0.25 -0.39 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 2r80 h GLN 87 Cb -0.01 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 2r80 h GLN 87 CO -0.09 1.00 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.87 2r80 h LEU 88 N 0.41 0.00 -0.61 1.46 3.38 -1.79 -1.96 115.31 116.20 2r80 h LEU 88 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2r80 h LEU 88 Cb 0.91 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 2r80 h LEU 88 CO 0.08 0.14 0.26 -1.28 0.09 0.00 0.00 178.44 177.72 2r80 h SER 89 N 0.00 0.83 -0.37 -0.43 0.87 -0.47 0.23 113.55 114.22 2r80 h SER 89 Ca -0.00 -0.16 0.05 0.00 -1.23 0.00 0.00 61.79 60.44 2r80 h SER 89 Cb 0.26 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 2r80 h SER 89 CO 0.02 0.77 0.11 -0.33 -0.53 0.00 0.00 176.83 176.87 2r80 h GLU 90 N 0.85 0.25 0.09 2.24 4.39 -1.12 0.77 114.58 122.05 2r80 h GLU 90 Ca 0.21 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 2r80 h GLU 90 Cb 0.19 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2r80 h GLU 90 CO -0.02 0.16 -0.04 1.25 -1.16 0.00 0.00 179.01 179.20 2r80 h LEU 91 N 0.25 -0.10 -0.43 1.33 5.85 -1.16 -1.41 115.31 119.65 2r80 h LEU 91 Ca 0.17 -0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.67 2r80 h LEU 91 Cb 0.16 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2r80 h LEU 91 CO -0.19 -0.02 -0.70 0.45 -0.34 0.00 0.00 178.44 177.64 2r80 h HIS 92 N -0.17 0.54 0.00 1.25 3.86 -0.77 -0.70 115.15 119.18 2r80 h HIS 92 Ca -0.01 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 2r80 h HIS 92 Cb 0.13 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2r80 h HIS 92 CO -0.06 0.98 -0.25 0.00 0.86 0.00 0.00 177.93 179.47 2r80 h ASP 94 N -0.60 0.27 0.07 0.00 3.58 -1.40 -2.35 116.42 116.00 2r80 h ASP 94 Ca 0.00 -0.22 -0.37 0.00 0.42 0.00 0.00 57.03 56.86 2r80 h ASP 94 Cb 0.25 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.17 2r80 h ASP 94 CO 0.00 1.02 -2.25 0.29 -2.88 0.00 0.00 179.24 175.42 2r80 n LYS 95 N -3.66 0.70 -0.00 0.28 5.02 -0.93 -4.62 118.16 114.94 2r80 n LYS 95 Ca -0.04 0.19 0.11 0.00 -2.02 0.00 0.00 58.31 56.55 2r80 n LYS 95 Cb 0.81 -1.61 -0.15 0.00 -0.02 0.00 0.00 35.03 34.05 2r80 n LYS 95 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2r80 n LEU 96 N -3.30 0.08 -3.77 -0.35 4.32 -0.28 -5.01 117.00 108.69 2r80 n LEU 96 Ca -0.38 0.03 -0.25 0.00 -0.02 0.00 0.00 56.01 55.39 2r80 n LEU 96 Cb 1.03 0.01 0.04 0.00 -1.62 0.00 0.00 43.42 42.87 2r80 n LEU 96 CO 0.35 -0.01 0.03 1.41 -1.22 0.00 0.00 177.39 177.95 2r80 n HIS 97 N -2.31 -2.16 -2.62 -1.77 8.25 -0.86 -4.95 115.22 108.80 2r80 n HIS 97 Ca -0.04 0.89 -0.43 0.00 -0.26 0.00 0.00 57.72 57.88 2r80 n HIS 97 Cb 0.58 -4.31 -0.02 0.00 1.12 0.00 0.00 29.99 27.36 2r80 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2r80 s VAL 98 N -3.49 4.62 0.26 1.59 1.01 -0.56 -5.00 120.40 118.82 2r80 s VAL 98 Ca 0.31 1.92 -0.30 0.00 0.00 0.00 0.00 61.98 63.91 2r80 s VAL 98 Cb -0.15 -4.24 -0.10 0.00 0.00 0.00 0.00 36.38 31.89 2r80 s VAL 98 CO 0.81 -0.09 1.47 -0.62 0.00 0.00 0.00 175.10 176.68 2r80 s ASP 99 N 1.29 6.59 0.64 3.32 2.15 -1.26 -4.80 116.67 124.61 2r80 s ASP 99 Ca 0.48 2.72 0.31 0.00 0.43 0.00 0.00 52.55 56.50 2r80 s ASP 99 Cb -0.18 -2.62 1.72 0.00 -0.30 0.00 0.00 42.92 41.53 2r80 s ASP 99 CO 0.13 -0.75 2.01 -0.65 -0.17 0.00 0.00 175.17 175.75 2r80 h PRO 100 N 5.03 0.00 -0.34 4.34 0.11 -1.98 -1.49 132.00 137.66 2r80 h PRO 100 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2r80 h PRO 100 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2r80 h PRO 100 CO 0.78 0.00 0.23 1.49 -0.21 0.00 0.00 178.00 180.29 2r80 h GLU 101 N 0.00 0.45 0.00 1.05 4.57 -2.00 -0.81 114.58 117.84 2r80 h GLU 101 Ca 0.05 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 2r80 h GLU 101 Cb 0.63 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2r80 h GLU 101 CO -0.00 0.30 -0.22 -0.91 -1.18 0.00 0.00 179.01 177.00 2r80 h ASN 102 N 0.46 0.00 -0.59 1.04 4.21 -1.64 -1.46 115.58 117.61 2r80 h ASN 102 Ca 0.13 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.54 2r80 h ASN 102 Cb -0.05 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.13 2r80 h ASN 102 CO -0.03 0.22 -0.01 -0.26 -1.29 0.00 0.00 177.43 176.06 2r80 h PHE 103 N 0.00 1.14 -0.37 1.19 0.04 -1.29 -1.16 116.94 116.50 2r80 h PHE 103 Ca -0.00 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.57 2r80 h PHE 103 Cb 0.41 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 2r80 h PHE 103 CO 0.00 1.01 0.24 -0.09 -0.60 0.00 0.00 178.31 178.87 2r80 h ARG 104 N 0.96 0.49 -0.72 1.51 1.12 -1.20 -1.57 114.38 114.96 2r80 h ARG 104 Ca 0.17 -0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 58.96 2r80 h ARG 104 Cb 0.56 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 30.38 2r80 h ARG 104 CO 0.03 0.34 0.27 -0.07 -3.11 0.00 0.00 179.97 177.44 2r80 h LEU 105 N 0.49 1.02 -0.79 3.80 3.38 -1.02 -0.93 115.31 121.27 2r80 h LEU 105 Ca 0.13 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2r80 h LEU 105 Cb -0.04 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 2r80 h LEU 105 CO -0.03 0.92 0.36 0.25 0.09 0.00 0.00 178.44 180.03 2r80 h LEU 106 N 1.05 1.05 -0.38 1.67 5.85 -1.13 -1.02 115.31 122.39 2r80 h LEU 106 Ca 0.24 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.85 2r80 h LEU 106 Cb 0.24 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2r80 h LEU 106 CO -0.02 0.90 0.17 1.23 -0.34 0.00 0.00 178.44 180.39 2r80 h GLY 107 N 1.12 0.51 0.92 3.75 0.00 -0.69 0.39 103.07 109.07 2r80 h GLY 107 Ca 0.27 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.50 2r80 h GLY 107 CO -0.03 0.08 0.34 -0.55 0.00 0.00 0.00 176.54 176.38 2r80 h ASP 108 N 0.36 0.57 -0.45 0.19 3.45 -0.95 -1.16 116.42 118.43 2r80 h ASP 108 Ca 0.17 -0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.65 2r80 h ASP 108 Cb 0.10 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.71 2r80 h ASP 108 CO -0.13 0.41 0.27 0.40 -1.57 0.00 0.00 179.24 178.61 2r80 h ILE 109 N 0.69 1.04 -0.66 0.35 2.04 -0.75 -1.74 117.51 118.49 2r80 h ILE 109 Ca 0.22 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.93 2r80 h ILE 109 Cb -0.02 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 2r80 h ILE 109 CO -0.08 0.10 0.39 0.25 0.00 0.00 0.00 178.15 178.81 2r80 h LEU 110 N 0.53 0.62 -0.67 1.44 5.85 -0.56 0.35 115.31 122.87 2r80 h LEU 110 Ca 0.18 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.95 2r80 h LEU 110 Cb 0.02 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 2r80 h LEU 110 CO -0.09 0.42 0.41 0.58 -0.34 0.00 0.00 178.44 179.42 2r80 h VAL 111 N 0.76 1.06 -0.65 1.05 2.07 -0.88 0.22 116.25 119.86 2r80 h VAL 111 Ca 0.28 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2r80 h VAL 111 Cb 0.08 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 2r80 h VAL 111 CO -0.13 0.14 0.24 0.40 0.02 0.00 0.00 177.57 178.24 2r80 h ILE 112 N 0.79 1.24 -0.43 4.57 2.04 -0.60 -0.12 117.51 125.00 2r80 h ILE 112 Ca 0.28 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2r80 h ILE 112 Cb 0.07 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 2r80 h ILE 112 CO -0.13 0.31 0.28 0.40 0.00 0.00 0.00 178.15 179.01 2r80 h ILE 113 N 0.93 1.12 -0.66 -0.67 2.04 -0.43 -0.65 117.51 119.19 2r80 h ILE 113 Ca 0.22 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 2r80 h ILE 113 Cb 0.25 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 2r80 h ILE 113 CO -0.01 0.12 0.21 -0.07 0.00 0.00 0.00 178.15 178.40 2r80 h LEU 114 N 0.58 0.96 -0.59 1.44 3.38 -0.81 -1.33 115.31 118.94 2r80 h LEU 114 Ca 0.16 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.96 2r80 h LEU 114 Cb -0.04 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 2r80 h LEU 114 CO -0.03 0.91 0.34 0.00 0.09 0.00 0.00 178.44 179.75 2r80 h ALA 115 N 1.09 0.76 -0.65 1.53 0.00 -0.68 0.59 119.26 121.90 2r80 h ALA 115 Ca 0.21 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2r80 h ALA 115 Cb 0.29 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2r80 h ALA 115 CO -0.01 0.04 0.13 0.00 0.00 0.00 0.00 179.25 179.42 2r80 h ALA 116 N 1.28 1.01 0.03 0.00 0.00 -0.83 0.76 119.26 121.51 2r80 h ALA 116 Ca 0.25 -0.25 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2r80 h ALA 116 Cb 0.08 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.64 2r80 h ALA 116 CO -0.13 0.64 -1.08 1.25 0.00 0.00 0.00 179.25 179.93 2r80 h HIS 117 N 0.98 1.03 0.00 0.00 6.17 -0.74 -3.36 115.15 119.24 2r80 h HIS 117 Ca 0.20 -0.58 0.00 0.00 0.71 0.00 0.00 60.37 60.70 2r80 h HIS 117 Cb 0.38 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.21 2r80 h HIS 117 CO 0.03 1.42 -1.25 1.19 0.71 0.00 0.00 177.93 180.03 2r80 n PHE 118 N -3.86 0.12 0.00 5.26 3.72 0.15 -5.00 117.46 117.86 2r80 n PHE 118 Ca -0.12 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2r80 n PHE 118 Cb 0.90 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 2r80 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2r80 n GLY 119 N 1.38 3.75 0.18 1.37 0.00 0.26 -1.47 105.19 110.66 2r80 n GLY 119 Ca 0.01 0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.37 2r80 n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r80 h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.94 -1.36 116.57 116.45 2r80 h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2r80 h LYS 120 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2r80 h LYS 120 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 2r80 n ASP 121 N -2.54 0.75 -3.88 0.86 8.00 -0.54 -4.12 116.55 115.08 2r80 n ASP 121 Ca 0.02 0.65 -0.43 0.00 0.71 0.00 0.00 54.79 55.74 2r80 n ASP 121 Cb 0.26 -0.82 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 2r80 n ASP 121 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2r80 n PHE 122 N -2.29 2.92 -0.92 1.24 7.35 -0.51 -4.91 117.46 120.34 2r80 n PHE 122 Ca 0.03 -2.78 -0.29 0.00 -0.76 0.00 0.00 57.45 53.65 2r80 n PHE 122 Cb 0.28 -1.91 0.19 0.00 0.35 0.00 0.00 39.48 38.40 2r80 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2r80 s THR 123 N 0.21 2.21 0.26 -2.13 -4.23 -1.26 -4.64 115.64 106.06 2r80 s THR 123 Ca 0.39 0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.95 2r80 s THR 123 Cb 0.09 -2.36 0.25 0.00 1.34 0.00 0.00 72.50 71.82 2r80 s THR 123 CO 0.01 -0.09 1.83 -0.65 -0.54 0.00 0.00 174.62 175.18 2r80 h PRO 124 N -2.06 0.90 -0.37 3.99 0.11 -1.95 0.15 132.00 132.76 2r80 h PRO 124 Ca -0.55 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.42 2r80 h PRO 124 Cb 1.31 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2r80 h PRO 124 CO 0.53 0.59 -0.15 1.05 -0.21 0.00 0.00 178.00 179.82 2r80 h GLU 125 N 0.93 0.67 -0.21 1.05 9.09 -1.99 -0.02 114.58 124.10 2r80 h GLU 125 Ca 0.44 -0.23 -0.01 0.00 0.05 0.00 0.00 59.36 59.62 2r80 h GLU 125 Cb 0.38 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.42 2r80 h GLU 125 CO -0.24 0.79 0.10 0.00 0.05 0.00 0.00 179.01 179.70 2r80 h GLN 127 N 0.20 0.53 -0.90 0.00 4.15 -0.71 -1.43 115.11 116.95 2r80 h GLN 127 Ca 0.07 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.49 2r80 h GLN 127 Cb 0.13 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.65 2r80 h GLN 127 CO -0.01 0.35 0.59 0.00 -1.93 0.00 0.00 178.83 177.83 2r80 h ALA 128 N 1.21 1.18 -0.46 3.38 0.00 -0.73 0.66 119.26 124.51 2r80 h ALA 128 Ca 0.19 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 2r80 h ALA 128 Cb 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2r80 h ALA 128 CO -0.09 0.46 -0.19 0.00 0.00 0.00 0.00 179.25 179.43 2r80 h ALA 129 N 1.36 0.65 -0.26 0.00 0.00 -0.95 -1.59 119.26 118.48 2r80 h ALA 129 Ca 0.35 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2r80 h ALA 129 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2r80 h ALA 129 CO -0.11 0.61 -0.57 -1.49 0.00 0.00 0.00 179.25 177.69 2r80 h TRP 130 N 0.79 1.03 -0.61 0.00 4.06 -0.93 -0.71 115.95 119.58 2r80 h TRP 130 Ca 0.11 -0.38 -0.01 0.00 2.06 0.00 0.00 58.89 60.67 2r80 h TRP 130 Cb 0.76 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.70 2r80 h TRP 130 CO 0.05 1.19 0.34 0.37 -3.56 0.00 0.00 178.44 176.84 2r80 h GLN 131 N 0.62 0.85 -0.33 0.49 5.75 -0.86 -0.24 115.11 121.38 2r80 h GLN 131 Ca 0.01 -0.10 0.04 0.00 -0.15 0.00 0.00 58.65 58.46 2r80 h GLN 131 Cb 1.17 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 29.51 2r80 h GLN 131 CO 0.12 0.64 0.08 -0.22 -2.65 0.00 0.00 178.83 176.80 2r80 h LYS 132 N 0.83 0.20 -0.15 1.69 3.64 -1.14 -1.54 116.57 120.10 2r80 h LYS 132 Ca 0.22 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 2r80 h LYS 132 Cb 0.03 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2r80 h LYS 132 CO -0.04 0.13 0.05 1.25 -2.27 0.00 0.00 179.45 178.58 2r80 h LEU 133 N 0.20 0.07 -1.45 5.20 5.85 -0.72 -0.68 115.31 123.78 2r80 h LEU 133 Ca 0.15 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 2r80 h LEU 133 Cb 0.16 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2r80 h LEU 133 CO -0.19 0.06 -0.28 -0.37 -0.34 0.00 0.00 178.44 177.33 2r80 h VAL 134 N 0.13 1.17 -0.29 1.05 -1.51 -0.89 -0.60 116.25 115.31 2r80 h VAL 134 Ca 0.06 -0.95 -0.18 0.00 -1.23 0.00 0.00 66.70 64.40 2r80 h VAL 134 Cb 0.03 1.52 -0.00 0.00 -2.13 0.00 0.00 31.29 30.71 2r80 h VAL 134 CO -0.06 0.27 -0.51 0.03 -1.23 0.00 0.00 177.57 176.07 2r80 h ARG 135 N 0.00 0.84 -0.35 5.19 2.47 -0.90 -1.08 114.38 120.54 2r80 h ARG 135 Ca -0.00 -0.51 -0.12 0.00 -1.26 0.00 0.00 59.98 58.09 2r80 h ARG 135 Cb 0.50 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 2r80 h ARG 135 CO 0.04 1.14 -0.26 0.28 0.56 0.00 0.00 179.97 181.73 2r80 h VAL 136 N 0.65 1.29 -0.21 2.04 2.07 -0.64 -0.62 116.25 120.82 2r80 h VAL 136 Ca 0.02 -1.42 0.01 0.00 0.82 0.00 0.00 66.70 66.14 2r80 h VAL 136 Cb 1.10 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2r80 h VAL 136 CO 0.11 0.47 0.12 0.58 0.02 0.00 0.00 177.57 178.87 2r80 h VAL 137 N 0.59 1.03 -0.64 2.57 2.07 -1.13 -1.03 116.25 119.70 2r80 h VAL 137 Ca 0.07 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.57 2r80 h VAL 137 Cb 0.83 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 2r80 h VAL 137 CO 0.07 0.05 0.32 0.00 0.02 0.00 0.00 177.57 178.03 2r80 h ALA 138 N 1.09 0.86 -0.45 1.67 0.00 -1.05 0.97 119.26 122.35 2r80 h ALA 138 Ca 0.08 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2r80 h ALA 138 Cb -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2r80 h ALA 138 CO -0.04 -0.04 -0.07 0.45 0.00 0.00 0.00 179.25 179.55 2r80 h HIS 139 N 0.58 0.86 -0.64 0.00 3.86 -0.96 -1.34 115.15 117.52 2r80 h HIS 139 Ca 0.30 -0.14 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 2r80 h HIS 139 Cb 0.26 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 2r80 h HIS 139 CO -0.10 0.83 0.17 0.00 0.86 0.00 0.00 177.93 179.68 2r80 h ALA 140 N 1.20 0.84 0.00 2.45 0.00 -0.33 -2.69 119.26 120.72 2r80 h ALA 140 Ca 0.13 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2r80 h ALA 140 Cb 0.54 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2r80 h ALA 140 CO 0.03 0.54 -0.34 -0.07 0.00 0.00 0.00 179.25 179.41 2r80 h LEU 141 N 0.93 0.00 -0.65 0.00 3.38 -0.53 -2.38 115.31 116.06 2r80 h LEU 141 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2r80 h LEU 141 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2r80 h LEU 141 CO -0.00 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.87 2r80 n ALA 142 N -2.44 2.56 -0.33 1.53 0.00 -0.53 -4.38 120.51 116.92 2r80 n ALA 142 Ca -0.02 -0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.18 2r80 n ALA 142 Cb 0.39 -1.19 0.30 0.00 0.00 0.00 0.00 19.45 18.95 2r80 n ALA 142 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2r80 h ARG 143 N 1.33 0.65 0.00 0.00 0.11 -1.10 0.14 114.38 115.51 2r80 h ARG 143 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2r80 h ARG 143 Cb 0.29 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.22 2r80 h ARG 143 CO 0.00 0.43 0.00 0.87 0.10 0.00 0.00 179.97 181.37 2r80 h LYS 144 N 0.67 0.00 0.00 0.08 6.56 -1.83 -3.40 116.57 118.65 2r80 h LYS 144 Ca 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.14 2r80 h LYS 144 Cb 0.87 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 2r80 h LYS 144 CO -0.40 0.00 0.00 0.66 -2.06 0.00 0.00 179.45 177.65 2r80 n TYR 145 N -2.57 0.00 0.00 -1.35 4.01 0.48 -5.00 117.16 112.73 2r80 n TYR 145 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2r80 n TYR 145 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 2r80 n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12