#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h8d s LEU 2 N 0.00 4.22 0.88 1.04 1.43 -1.26 -5.07 118.68 119.92 2h8d s LEU 2 Ca 0.00 0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 53.80 2h8d s LEU 2 Cb 0.00 -2.80 0.13 0.00 0.03 0.00 0.00 46.19 43.55 2h8d s LEU 2 CO 0.00 -0.12 1.23 -0.94 0.23 0.00 0.00 176.35 176.75 2h8d s SER 3 N 0.91 3.89 0.27 2.29 1.04 -1.26 -4.85 113.70 115.99 2h8d s SER 3 Ca 0.28 0.60 -0.04 0.00 0.48 0.00 0.00 55.95 57.27 2h8d s SER 3 Cb -0.16 -0.93 0.36 0.00 0.10 0.00 0.00 66.02 65.40 2h8d s SER 3 CO 0.11 -2.28 1.92 0.44 0.98 0.00 0.00 173.24 174.41 2h8d h ASP 4 N -1.32 1.07 -0.44 7.02 3.32 -1.99 -1.28 116.42 122.80 2h8d h ASP 4 Ca -0.46 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 56.63 2h8d h ASP 4 Cb 1.29 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 2h8d h ASP 4 CO 0.55 0.74 0.19 0.50 -1.72 0.00 0.00 179.24 179.50 2h8d h LYS 5 N 1.24 0.37 -0.16 3.56 3.64 -1.99 -0.49 116.57 122.74 2h8d h LYS 5 Ca 0.38 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.75 2h8d h LYS 5 Cb -0.02 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2h8d h LYS 5 CO -0.11 0.25 0.07 -0.44 -2.27 0.00 0.00 179.45 176.95 2h8d h ASP 6 N 0.39 0.11 -0.96 4.20 3.32 -1.78 -1.93 116.42 119.77 2h8d h ASP 6 Ca 0.20 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.30 2h8d h ASP 6 Cb 0.15 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 2h8d h ASP 6 CO -0.17 0.09 0.63 0.11 -1.72 0.00 0.00 179.24 178.18 2h8d h LYS 7 N 0.17 1.16 -0.29 3.56 1.57 -0.89 0.22 116.57 122.06 2h8d h LYS 7 Ca 0.07 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2h8d h LYS 7 Cb 0.02 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2h8d h LYS 7 CO -0.05 0.77 -0.14 0.00 -0.57 0.00 0.00 179.45 179.45 2h8d h ALA 8 N 1.45 0.41 -0.65 3.86 0.00 -0.92 -1.16 119.26 122.24 2h8d h ALA 8 Ca 0.39 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2h8d h ALA 8 Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2h8d h ALA 8 CO -0.13 0.30 0.30 0.00 0.00 0.00 0.00 179.25 179.72 2h8d h ALA 9 N 0.75 0.84 -0.35 0.00 0.00 -0.90 0.10 119.26 119.71 2h8d h ALA 9 Ca 0.07 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2h8d h ALA 9 Cb 0.66 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2h8d h ALA 9 CO 0.04 0.42 -0.02 0.28 0.00 0.00 0.00 179.25 179.97 2h8d h VAL 10 N 0.90 1.26 -0.38 0.00 2.07 -0.86 -1.87 116.25 117.37 2h8d h VAL 10 Ca 0.22 -1.03 -0.11 0.00 0.82 0.00 0.00 66.70 66.61 2h8d h VAL 10 Cb 0.14 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2h8d h VAL 10 CO -0.03 0.34 -0.20 0.03 0.02 0.00 0.00 177.57 177.73 2h8d h ARG 11 N 0.44 0.74 -0.48 1.57 3.08 -0.99 0.29 114.38 119.04 2h8d h ARG 11 Ca 0.10 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 2h8d h ARG 11 Cb 0.49 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2h8d h ARG 11 CO 0.02 0.89 0.02 0.00 -1.07 0.00 0.00 179.97 179.83 2h8d h ALA 12 N 1.12 0.64 -0.13 0.04 0.00 -0.79 0.90 119.26 121.04 2h8d h ALA 12 Ca 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2h8d h ALA 12 Cb 0.70 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2h8d h ALA 12 CO 0.05 0.43 0.03 1.25 0.00 0.00 0.00 179.25 181.01 2h8d h LEU 13 N 0.69 0.20 -2.03 0.00 5.85 -0.99 -1.86 115.31 117.17 2h8d h LEU 13 Ca 0.14 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2h8d h LEU 13 Cb 0.48 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 2h8d h LEU 13 CO 0.02 0.37 0.02 -0.25 -0.34 0.00 0.00 178.44 178.26 2h8d h TRP 14 N 0.01 0.00 -0.94 1.25 2.91 -0.89 0.49 115.95 118.77 2h8d h TRP 14 Ca 0.04 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 2h8d h TRP 14 Cb 0.25 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 28.85 2h8d h TRP 14 CO 0.01 0.00 0.56 1.03 -1.03 0.00 0.00 178.44 179.00 2h8d h SER 15 N 0.00 1.14 -0.04 2.65 0.87 -0.02 0.38 113.55 118.53 2h8d h SER 15 Ca 0.01 -0.08 -0.25 0.00 -1.23 0.00 0.00 61.79 60.25 2h8d h SER 15 Cb 0.06 -0.29 0.02 0.00 -0.44 0.00 0.00 62.40 61.75 2h8d h SER 15 CO -0.00 0.88 -0.94 0.11 -0.53 0.00 0.00 176.83 176.36 2h8d h LYS 16 N 1.30 0.71 -0.00 2.24 1.57 -0.62 -3.40 116.57 118.38 2h8d h LYS 16 Ca 0.34 -0.71 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2h8d h LYS 16 Cb -0.04 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2h8d h LYS 16 CO -0.06 1.29 -0.24 0.44 -0.57 0.00 0.00 179.45 180.32 2h8d n ILE 17 N -3.91 0.00 -0.24 1.86 -5.35 0.03 -4.65 119.36 107.09 2h8d n ILE 17 Ca -0.10 -0.38 0.26 0.00 -0.27 0.00 0.00 62.75 62.26 2h8d n ILE 17 Cb 0.83 1.06 0.64 0.00 -1.74 0.00 0.00 39.64 40.43 2h8d n ILE 17 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2h8d h GLY 18 N 1.74 0.43 1.63 3.28 0.00 -1.13 0.23 103.07 109.25 2h8d h GLY 18 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.28 2h8d h GLY 18 CO 0.00 -0.03 0.15 0.50 0.00 0.00 0.00 176.54 177.17 2h8d h LYS 19 N 0.17 0.00 -0.63 4.80 1.57 -1.82 -1.36 116.57 119.29 2h8d h LYS 19 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2h8d h LYS 19 Cb 1.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.94 2h8d h LYS 19 CO -0.10 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.21 2h8d n SER 20 N -3.65 4.79 -0.28 0.86 7.64 0.07 -4.67 113.62 118.37 2h8d n SER 20 Ca -0.00 -2.48 0.06 0.00 1.01 0.00 0.00 58.87 57.46 2h8d n SER 20 Cb 0.26 -0.58 0.20 0.00 -1.01 0.00 0.00 64.21 63.08 2h8d n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h8d h ALA 21 N 4.01 1.19 -0.28 -0.43 0.00 -1.34 -0.02 119.26 122.39 2h8d h ALA 21 Ca 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2h8d h ALA 21 Cb 1.47 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2h8d h ALA 21 CO 0.24 -0.11 -0.04 -0.44 0.00 0.00 0.00 179.25 178.90 2h8d h ASP 22 N 0.58 0.52 -0.65 0.00 3.32 -1.84 -0.46 116.42 117.88 2h8d h ASP 22 Ca 0.44 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 2h8d h ASP 22 Cb 0.61 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 2h8d h ASP 22 CO -0.36 0.74 0.24 0.00 -1.72 0.00 0.00 179.24 178.14 2h8d h ALA 23 N 0.80 1.14 -0.46 3.45 0.00 -1.80 -2.33 119.26 120.05 2h8d h ALA 23 Ca 0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2h8d h ALA 23 Cb 0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2h8d h ALA 23 CO 0.02 0.60 0.15 0.82 0.00 0.00 0.00 179.25 180.84 2h8d h ILE 24 N 0.99 1.22 -0.61 0.00 2.04 -0.76 -2.24 117.51 118.15 2h8d h ILE 24 Ca 0.22 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 2h8d h ILE 24 Cb 0.24 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2h8d h ILE 24 CO -0.01 0.27 0.15 1.23 0.00 0.00 0.00 178.15 179.78 2h8d h GLY 25 N 0.62 1.05 1.00 5.37 0.00 -0.77 0.96 103.07 111.29 2h8d h GLY 25 Ca 0.15 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2h8d h GLY 25 CO -0.00 0.62 0.05 -0.57 0.00 0.00 0.00 176.54 176.63 2h8d h ASN 26 N 0.89 0.08 -0.21 0.19 -0.00 -1.32 0.87 115.58 116.08 2h8d h ASN 26 Ca 0.19 -0.01 -0.00 0.00 -0.00 0.00 0.00 56.30 56.48 2h8d h ASN 26 Cb 0.36 -0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 38.65 2h8d h ASN 26 CO 0.00 0.07 0.12 -0.78 -0.00 0.00 0.00 177.43 176.84 2h8d h ASP 27 N 0.09 0.25 -0.26 1.15 1.82 -1.27 -0.05 116.42 118.14 2h8d h ASP 27 Ca 0.03 -0.05 -0.13 0.00 -0.39 0.00 0.00 57.03 56.48 2h8d h ASP 27 Cb -0.01 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 39.94 2h8d h ASP 27 CO -0.01 0.23 -0.36 0.00 -1.61 0.00 0.00 179.24 177.49 2h8d h ALA 28 N 1.03 0.40 -0.35 -0.78 0.00 -0.48 -1.41 119.26 117.67 2h8d h ALA 28 Ca 0.07 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 2h8d h ALA 28 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2h8d h ALA 28 CO -0.01 0.47 -0.14 -0.07 0.00 0.00 0.00 179.25 179.50 2h8d h LEU 29 N 0.44 0.61 -0.61 0.00 3.38 -0.83 0.50 115.31 118.81 2h8d h LEU 29 Ca 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2h8d h LEU 29 Cb 0.95 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 2h8d h LEU 29 CO 0.08 0.77 0.29 0.28 0.09 0.00 0.00 178.44 179.96 2h8d h SER 30 N 0.56 0.80 -0.38 -0.43 0.02 -0.77 -2.32 113.55 111.04 2h8d h SER 30 Ca 0.10 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2h8d h SER 30 Cb 0.57 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2h8d h SER 30 CO 0.04 0.71 0.17 0.03 -1.14 0.00 0.00 176.83 176.64 2h8d h ARG 31 N 0.84 0.55 -0.18 3.45 3.08 -0.96 -2.09 114.38 119.06 2h8d h ARG 31 Ca 0.21 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.20 2h8d h ARG 31 Cb 0.13 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 2h8d h ARG 31 CO -0.03 0.50 0.01 1.98 -1.07 0.00 0.00 179.97 181.36 2h8d h MET 32 N 0.47 0.07 0.00 0.04 4.05 -0.58 0.37 114.93 119.35 2h8d h MET 32 Ca 0.13 -0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.42 2h8d h MET 32 Cb 0.14 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 2h8d h MET 32 CO -0.01 0.04 -0.60 -0.84 0.23 0.00 0.00 176.91 175.73 2h8d h ILE 33 N 0.07 1.34 0.09 1.77 3.07 -1.36 -0.17 117.51 122.32 2h8d h ILE 33 Ca 0.09 -2.13 -0.00 0.00 1.55 0.00 0.00 64.86 64.36 2h8d h ILE 33 Cb 0.10 2.18 0.00 0.00 -0.27 0.00 0.00 36.82 38.83 2h8d h ILE 33 CO -0.14 0.59 -0.04 0.58 -1.05 0.00 0.00 178.15 178.09 2h8d h VAL 34 N 0.00 1.07 0.00 0.16 2.07 -1.18 -3.23 116.25 115.15 2h8d h VAL 34 Ca -0.01 -1.38 -0.15 0.00 0.82 0.00 0.00 66.70 65.99 2h8d h VAL 34 Cb 1.13 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 2h8d h VAL 34 CO 0.08 0.30 -0.80 0.58 0.02 0.00 0.00 177.57 177.75 2h8d h VAL 35 N -0.84 1.09 -2.11 2.57 2.07 -0.96 -3.37 116.25 114.71 2h8d h VAL 35 Ca -0.01 -2.59 -0.57 0.00 0.82 0.00 0.00 66.70 64.36 2h8d h VAL 35 Cb 0.58 2.51 -0.41 0.00 -1.52 0.00 0.00 31.29 32.46 2h8d h VAL 35 CO 0.02 0.62 -0.88 -1.22 0.02 0.00 0.00 177.57 176.13 2h8d n TYR 36 N -3.22 1.76 0.24 1.57 4.02 -0.08 -4.97 117.16 116.47 2h8d n TYR 36 Ca -0.01 -3.87 0.14 0.00 -0.01 0.00 0.00 57.90 54.16 2h8d n TYR 36 Cb 0.82 -0.45 0.73 0.00 -0.02 0.00 0.00 39.34 40.42 2h8d n TYR 36 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2h8d h PRO 37 N 3.75 0.00 0.00 -0.72 0.13 -1.70 0.08 132.00 133.53 2h8d h PRO 37 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2h8d h PRO 37 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2h8d h PRO 37 CO 0.65 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.86 2h8d h GLN 38 N 0.00 0.00 0.00 0.86 -0.00 -1.90 -2.08 115.11 112.00 2h8d h GLN 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2h8d h GLN 38 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.54 2h8d h GLN 38 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 178.83 180.62 2h8d h THR 39 N 0.00 0.00 0.00 1.86 1.35 -1.28 -2.87 112.91 111.97 2h8d h THR 39 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 2h8d h THR 39 Cb 0.30 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 2h8d h THR 39 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 2h8d n LYS 40 N -2.30 0.12 0.04 4.72 5.02 -0.78 -2.66 118.16 122.32 2h8d n LYS 40 Ca 0.02 0.46 0.05 0.00 -2.02 0.00 0.00 58.31 56.81 2h8d n LYS 40 Cb 0.22 -1.78 0.46 0.00 -0.02 0.00 0.00 35.03 33.91 2h8d n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2h8d h THR 41 N 0.00 1.08 0.00 -0.18 1.35 -1.72 -1.48 112.91 111.96 2h8d h THR 41 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2h8d h THR 41 Cb 0.21 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 2h8d h THR 41 CO 0.00 0.09 0.00 -1.22 -0.25 0.00 0.00 175.52 174.14 2h8d n TYR 42 N -4.48 0.00 -1.10 4.73 4.01 -1.09 -3.12 117.16 116.10 2h8d n TYR 42 Ca 0.02 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.85 2h8d n TYR 42 Cb 0.07 -0.39 0.18 0.00 -0.31 0.00 0.00 39.34 38.89 2h8d n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2h8d n PHE 43 N -1.39 0.29 0.33 -0.72 3.72 -0.56 -4.69 117.46 114.44 2h8d n PHE 43 Ca 0.08 -1.02 0.22 0.00 -0.05 0.00 0.00 57.45 56.68 2h8d n PHE 43 Cb 0.23 -0.21 1.18 0.00 -0.94 0.00 0.00 39.48 39.74 2h8d n PHE 43 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2h8d h SER 44 N 0.57 0.00 0.90 4.37 4.64 -1.52 -1.62 113.55 120.89 2h8d h SER 44 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2h8d h SER 44 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2h8d h SER 44 CO 0.07 0.00 -0.32 0.00 -0.87 0.00 0.00 176.83 175.71 2h8d n HIS 45 N -3.17 0.32 -1.58 4.77 1.44 -1.26 -4.86 115.22 110.87 2h8d n HIS 45 Ca -0.03 0.09 -0.29 0.00 -2.01 0.00 0.00 57.72 55.48 2h8d n HIS 45 Cb 0.08 -0.55 0.12 0.00 0.12 0.00 0.00 29.99 29.76 2h8d n HIS 45 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2h8d s TRP 46 N -3.06 2.67 0.08 -1.40 0.51 -0.61 -4.97 118.94 112.15 2h8d s TRP 46 Ca 0.10 0.94 -0.17 0.00 -2.12 0.00 0.00 56.10 54.85 2h8d s TRP 46 Cb 0.16 -3.31 -0.10 0.00 -0.81 0.00 0.00 33.47 29.41 2h8d s TRP 46 CO 0.64 -2.11 1.41 -1.00 -0.51 0.00 0.00 176.95 175.39 2h8d h PRO 47 N -1.31 0.53 -4.42 4.98 0.13 -1.89 -3.45 132.00 126.57 2h8d h PRO 47 Ca -0.49 -0.26 -0.23 0.00 -0.87 0.00 0.00 66.00 64.15 2h8d h PRO 47 Cb 1.31 -0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.31 2h8d h PRO 47 CO 0.62 0.83 -0.49 0.16 -0.23 0.00 0.00 178.00 178.89 2h8d s ASP 48 N -6.28 0.30 -0.40 1.44 1.47 -1.26 -5.14 116.67 106.80 2h8d s ASP 48 Ca -0.13 -1.35 0.01 0.00 1.18 0.00 0.00 52.55 52.27 2h8d s ASP 48 Cb 0.07 0.45 0.14 0.00 -0.34 0.00 0.00 42.92 43.25 2h8d s ASP 48 CO 0.79 -0.94 0.25 -0.69 0.68 0.00 0.00 175.17 175.25 2h8d s VAL 49 N -4.00 0.65 0.06 2.11 1.01 -1.26 -4.97 120.40 113.98 2h8d s VAL 49 Ca 0.36 -2.19 0.05 0.00 0.00 0.00 0.00 61.98 60.20 2h8d s VAL 49 Cb 0.05 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 2h8d s VAL 49 CO 0.13 -1.00 -0.15 0.42 0.00 0.00 0.00 175.10 174.51 2h8d s THR 50 N 0.62 1.19 0.12 3.92 -4.23 -1.26 -5.05 115.64 110.96 2h8d s THR 50 Ca 0.20 -1.16 -0.35 0.00 -1.18 0.00 0.00 61.69 59.20 2h8d s THR 50 Cb -0.19 -1.10 -0.16 0.00 1.34 0.00 0.00 72.50 72.40 2h8d s THR 50 CO -0.03 -0.07 1.42 -0.81 -0.54 0.00 0.00 174.62 174.59 2h8d n PRO 51 N 1.62 1.54 -1.56 3.99 -0.04 -1.26 -2.40 135.00 136.88 2h8d n PRO 51 Ca -0.19 0.55 -0.14 0.00 -0.04 0.00 0.00 63.50 63.68 2h8d n PRO 51 Cb 0.54 -2.24 -0.05 0.00 -0.04 0.00 0.00 33.50 31.72 2h8d n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h8d n GLY 52 N 2.80 1.06 3.71 0.55 0.00 -1.26 -5.00 105.19 107.06 2h8d n GLY 52 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2h8d n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2h8d s SER 53 N -2.17 3.58 0.25 1.61 1.04 -1.01 -4.67 113.70 112.33 2h8d s SER 53 Ca 0.00 2.07 -0.04 0.00 0.48 0.00 0.00 55.95 58.47 2h8d s SER 53 Cb 0.00 -2.55 0.52 0.00 0.10 0.00 0.00 66.02 64.08 2h8d s SER 53 CO 0.00 -2.66 1.67 -0.65 0.98 0.00 0.00 173.24 172.58 2h8d h PRO 54 N -1.49 0.24 -0.25 4.02 0.11 -1.94 0.14 132.00 132.82 2h8d h PRO 54 Ca -0.44 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 2h8d h PRO 54 Cb 1.26 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2h8d h PRO 54 CO 0.46 0.16 -0.38 0.45 -0.21 0.00 0.00 178.00 178.47 2h8d h HIS 55 N 0.24 0.67 -0.25 0.65 3.86 -1.93 -1.29 115.15 117.10 2h8d h HIS 55 Ca 0.45 -0.19 -0.13 0.00 -1.16 0.00 0.00 60.37 59.34 2h8d h HIS 55 Cb 0.80 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.12 2h8d h HIS 55 CO -0.28 0.87 -0.36 0.82 0.86 0.00 0.00 177.93 179.84 2h8d h ILE 56 N 0.48 1.31 0.29 2.45 1.08 -1.65 -2.04 117.51 119.42 2h8d h ILE 56 Ca 0.05 -1.55 0.00 0.00 -0.39 0.00 0.00 64.86 62.97 2h8d h ILE 56 Cb 0.87 1.70 -0.03 0.00 -3.07 0.00 0.00 36.82 36.29 2h8d h ILE 56 CO 0.07 0.49 -0.41 0.50 -0.69 0.00 0.00 178.15 178.12 2h8d h LYS 57 N 0.41 -0.72 -0.63 2.37 3.64 -0.67 0.11 116.57 121.08 2h8d h LYS 57 Ca 0.03 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2h8d h LYS 57 Cb 0.94 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 2h8d h LYS 57 CO 0.08 -0.48 0.23 0.00 -2.27 0.00 0.00 179.45 177.01 2h8d h ALA 58 N -0.33 1.22 -0.47 5.00 0.00 -1.26 -1.67 119.26 121.74 2h8d h ALA 58 Ca -0.01 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2h8d h ALA 58 Cb 0.71 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2h8d h ALA 58 CO -0.14 0.56 -0.05 1.25 0.00 0.00 0.00 179.25 180.88 2h8d h HIS 59 N 0.91 0.88 -0.49 0.00 -0.00 -1.14 -2.45 115.15 112.86 2h8d h HIS 59 Ca 0.21 -0.14 0.01 0.00 -0.00 0.00 0.00 60.37 60.44 2h8d h HIS 59 Cb 0.21 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.37 2h8d h HIS 59 CO 0.02 0.84 0.33 0.78 -0.00 0.00 0.00 177.93 179.89 2h8d h GLY 60 N 0.98 0.69 0.90 5.26 0.00 0.13 0.45 103.07 111.48 2h8d h GLY 60 Ca 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 2h8d h GLY 60 CO 0.03 0.25 0.08 0.50 0.00 0.00 0.00 176.54 177.40 2h8d h LYS 61 N 0.66 0.51 -0.35 4.80 1.57 -0.95 -2.23 116.57 120.59 2h8d h LYS 61 Ca 0.18 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 2h8d h LYS 61 Cb -0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2h8d h LYS 61 CO -0.04 0.57 -0.16 0.87 -0.57 0.00 0.00 179.45 180.13 2h8d h LYS 62 N 0.36 0.72 -0.38 3.15 1.57 -0.31 -0.84 116.57 120.85 2h8d h LYS 62 Ca 0.10 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2h8d h LYS 62 Cb 0.29 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2h8d h LYS 62 CO 0.00 0.92 0.24 0.28 -0.57 0.00 0.00 179.45 180.32 2h8d h VAL 63 N 0.50 1.11 0.00 0.50 2.07 -0.27 -1.48 116.25 118.68 2h8d h VAL 63 Ca 0.08 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2h8d h VAL 63 Cb 0.69 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2h8d h VAL 63 CO 0.05 0.10 -0.18 0.24 0.02 0.00 0.00 177.57 177.80 2h8d h MET 64 N 0.50 0.00 0.00 1.57 2.86 -1.26 0.02 114.93 118.62 2h8d h MET 64 Ca 0.14 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.70 2h8d h MET 64 Cb -0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2h8d h MET 64 CO -0.03 0.18 -0.37 0.78 1.06 0.00 0.00 176.91 178.53 2h8d h GLY 65 N 1.89 0.00 1.35 8.32 0.00 -0.52 0.25 103.07 114.36 2h8d h GLY 65 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2h8d h GLY 65 CO 0.02 0.00 -0.24 -1.33 0.00 0.00 0.00 176.54 174.99 2h8d h GLY 66 N 1.84 0.81 1.20 4.60 0.00 -0.01 -1.16 103.07 110.34 2h8d h GLY 66 Ca -0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.53 2h8d h GLY 66 CO 0.05 0.64 -0.07 -2.22 0.00 0.00 0.00 176.54 174.93 2h8d h ILE 67 N 0.65 1.26 -0.57 2.60 1.08 -0.56 -1.25 117.51 120.72 2h8d h ILE 67 Ca 0.09 -1.19 0.03 0.00 -0.39 0.00 0.00 64.86 63.40 2h8d h ILE 67 Cb 0.75 0.93 -0.04 0.00 -3.07 0.00 0.00 36.82 35.39 2h8d h ILE 67 CO 0.06 0.42 0.33 0.00 -0.69 0.00 0.00 178.15 178.27 2h8d h ALA 68 N 1.05 0.73 -0.49 1.87 0.00 -0.21 -0.24 119.26 121.98 2h8d h ALA 68 Ca 0.14 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2h8d h ALA 68 Cb 0.60 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2h8d h ALA 68 CO 0.04 0.04 0.26 1.25 0.00 0.00 0.00 179.25 180.84 2h8d h LEU 69 N 0.65 0.40 -0.98 0.00 5.85 -1.04 -1.67 115.31 118.51 2h8d h LEU 69 Ca 0.24 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 2h8d h LEU 69 Cb 0.06 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2h8d h LEU 69 CO -0.12 0.28 0.31 0.00 -0.34 0.00 0.00 178.44 178.57 2h8d h ALA 70 N 1.25 1.20 -0.80 1.25 0.00 -0.39 0.12 119.26 121.88 2h8d h ALA 70 Ca 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2h8d h ALA 70 Cb 0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2h8d h ALA 70 CO -0.13 0.59 0.34 0.28 0.00 0.00 0.00 179.25 180.34 2h8d h VAL 71 N 1.02 1.26 0.00 0.00 2.07 -0.55 -0.90 116.25 119.16 2h8d h VAL 71 Ca 0.24 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 2h8d h VAL 71 Cb 0.16 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2h8d h VAL 71 CO -0.03 0.33 -0.36 -1.28 0.02 0.00 0.00 177.57 176.26 2h8d h SER 72 N 1.16 0.00 -0.67 0.57 0.87 -0.37 -2.89 113.55 112.22 2h8d h SER 72 Ca 0.27 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.61 2h8d h SER 72 Cb 0.18 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.01 2h8d h SER 72 CO -0.03 0.36 0.24 0.29 -0.53 0.00 0.00 176.83 177.16 2h8d n LYS 73 N -3.71 3.31 0.28 2.24 4.76 0.33 -4.73 118.16 120.65 2h8d n LYS 73 Ca -0.01 -3.07 0.13 0.00 -2.87 0.00 0.00 58.31 52.49 2h8d n LYS 73 Cb 0.45 -2.13 0.83 0.00 -1.84 0.00 0.00 35.03 32.34 2h8d n LYS 73 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 2h8d h ILE 74 N 2.25 0.61 0.00 -0.18 2.10 -0.95 -1.09 117.51 120.25 2h8d h ILE 74 Ca 0.27 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 66.05 2h8d h ILE 74 Cb 2.22 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 39.05 2h8d h ILE 74 CO 0.68 0.04 0.00 0.47 -1.08 0.00 0.00 178.15 178.26 2h8d n ASP 75 N -3.88 0.24 -2.75 2.19 8.00 -1.26 -4.30 116.55 114.79 2h8d n ASP 75 Ca -0.03 0.54 -0.06 0.00 0.71 0.00 0.00 54.79 55.96 2h8d n ASP 75 Cb 0.13 -0.60 0.03 0.00 -0.02 0.00 0.00 41.12 40.66 2h8d n ASP 75 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2h8d n ASP 76 N -1.75 -3.03 0.07 -2.24 -0.08 -0.43 -5.02 116.55 104.07 2h8d n ASP 76 Ca 0.04 -3.01 -0.01 0.00 -1.51 0.00 0.00 54.79 50.31 2h8d n ASP 76 Cb 0.26 1.73 0.29 0.00 2.34 0.00 0.00 41.12 45.73 2h8d n ASP 76 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2h8d h LEU 77 N 4.39 0.33 -0.05 -2.67 3.38 -1.70 -0.83 115.31 118.15 2h8d h LEU 77 Ca -0.06 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.82 2h8d h LEU 77 Cb 1.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2h8d h LEU 77 CO 0.16 0.56 -0.01 0.50 0.09 0.00 0.00 178.44 179.74 2h8d h LYS 78 N 0.30 -0.00 -0.31 1.13 3.64 -1.90 0.04 116.57 119.48 2h8d h LYS 78 Ca 0.05 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 2h8d h LYS 78 Cb 0.56 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2h8d h LYS 78 CO 0.04 -0.00 -0.33 1.15 -2.27 0.00 0.00 179.45 178.03 2h8d h THR 79 N -0.00 1.29 -0.75 1.00 2.02 -1.90 -2.90 112.91 111.67 2h8d h THR 79 Ca 0.02 -1.51 0.01 0.00 0.77 0.00 0.00 66.41 65.71 2h8d h THR 79 Cb 0.04 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 2h8d h THR 79 CO -0.05 0.49 0.49 1.23 0.37 0.00 0.00 175.52 178.05 2h8d h GLY 80 N 0.53 1.07 -3.34 2.16 0.00 -1.01 -2.90 103.07 99.58 2h8d h GLY 80 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2h8d h GLY 80 CO 0.08 0.36 0.00 1.04 0.00 0.00 0.00 176.54 178.02 2h8d n LEU 81 N -4.58 5.51 -0.20 3.11 4.77 -0.01 -4.70 117.00 120.90 2h8d n LEU 81 Ca 0.08 -2.90 -0.06 0.00 -0.03 0.00 0.00 56.01 53.09 2h8d n LEU 81 Cb 0.04 -0.67 0.03 0.00 -2.33 0.00 0.00 43.42 40.49 2h8d n LEU 81 CO 0.35 0.65 1.11 -0.03 -1.33 0.00 0.00 177.39 178.14 2h8d h MET 82 N 3.82 0.74 -0.69 3.23 4.05 -1.29 0.20 114.93 124.99 2h8d h MET 82 Ca 0.00 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 2h8d h MET 82 Cb 1.90 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 32.50 2h8d h MET 82 CO 0.45 0.49 0.30 0.93 0.23 0.00 0.00 176.91 179.31 2h8d h GLU 83 N 0.76 1.01 -0.17 0.39 5.08 -1.84 0.35 114.58 120.17 2h8d h GLU 83 Ca 0.21 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2h8d h GLU 83 Cb -0.08 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2h8d h GLU 83 CO -0.05 0.82 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.61 2h8d h LEU 84 N 0.97 0.24 -0.39 1.33 3.38 -1.79 -1.59 115.31 117.46 2h8d h LEU 84 Ca 0.23 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 2h8d h LEU 84 Cb 0.16 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2h8d h LEU 84 CO -0.02 0.38 -0.20 -1.28 0.09 0.00 0.00 178.44 177.40 2h8d h SER 85 N 0.25 0.85 -0.24 -0.43 0.87 0.49 -1.67 113.55 113.67 2h8d h SER 85 Ca 0.05 -0.41 0.02 0.00 -1.23 0.00 0.00 61.79 60.23 2h8d h SER 85 Cb 0.34 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2h8d h SER 85 CO 0.02 1.07 0.09 -0.33 -0.53 0.00 0.00 176.83 177.15 2h8d h GLU 86 N 0.63 0.20 -0.48 2.24 5.08 -0.60 0.22 114.58 121.86 2h8d h GLU 86 Ca 0.09 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2h8d h GLU 86 Cb 0.76 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 2h8d h GLU 86 CO 0.06 0.13 0.29 0.37 -1.00 0.00 0.00 179.01 178.87 2h8d h GLN 87 N 0.21 0.57 -0.23 2.33 4.15 -1.20 0.17 115.11 121.11 2h8d h GLN 87 Ca 0.10 -0.03 -0.18 0.00 0.77 0.00 0.00 58.65 59.31 2h8d h GLN 87 Cb 0.06 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 2h8d h GLN 87 CO -0.10 0.38 -0.59 0.45 -1.93 0.00 0.00 178.83 177.04 2h8d h HIS 88 N 0.58 0.93 0.02 3.99 3.86 -1.02 -1.30 115.15 122.22 2h8d h HIS 88 Ca 0.19 -0.35 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 2h8d h HIS 88 Cb 0.01 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.31 2h8d h HIS 88 CO -0.06 1.14 -0.01 0.00 0.86 0.00 0.00 177.93 179.86 2h8d h ALA 89 N 0.78 -0.02 0.00 2.45 0.00 -0.44 0.18 119.26 122.21 2h8d h ALA 89 Ca 0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.42 2h8d h ALA 89 Cb 1.18 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 2h8d h ALA 89 CO 0.12 -0.26 -2.23 0.66 0.00 0.00 0.00 179.25 177.53 2h8d n TYR 90 N -4.86 0.04 -0.12 0.00 4.01 0.57 -4.05 117.16 112.76 2h8d n TYR 90 Ca -0.08 0.01 -0.23 0.00 -0.16 0.00 0.00 57.90 57.44 2h8d n TYR 90 Cb 0.25 -0.85 -0.09 0.00 -0.31 0.00 0.00 39.34 38.34 2h8d n TYR 90 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2h8d n LYS 91 N -2.61 0.50 0.00 -0.72 3.00 -0.57 -4.72 118.16 113.03 2h8d n LYS 91 Ca -0.23 0.20 -0.14 0.00 -0.00 0.00 0.00 58.31 58.14 2h8d n LYS 91 Cb 0.97 -1.34 -0.14 0.00 0.00 0.00 0.00 35.03 34.52 2h8d n LYS 91 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2h8d h LEU 92 N -0.70 0.18 -2.65 3.14 3.38 -1.44 -3.49 115.31 113.73 2h8d h LEU 92 Ca -0.57 -0.38 -0.53 0.00 0.09 0.00 0.00 57.88 56.49 2h8d h LEU 92 Cb 1.55 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.20 2h8d h LEU 92 CO -0.31 1.33 -0.94 0.54 0.09 0.00 0.00 178.44 179.15 2h8d n ARG 93 N -3.25 -1.77 -2.36 1.13 5.12 0.59 -4.92 116.66 111.21 2h8d n ARG 93 Ca -0.21 0.29 -0.43 0.00 -1.93 0.00 0.00 57.85 55.58 2h8d n ARG 93 Cb 1.05 -3.86 -0.02 0.00 -1.16 0.00 0.00 32.46 28.46 2h8d n ARG 93 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2h8d s VAL 94 N -3.84 4.18 0.11 1.55 1.01 -1.07 -4.97 120.40 117.37 2h8d s VAL 94 Ca 0.21 1.43 -0.33 0.00 0.00 0.00 0.00 61.98 63.29 2h8d s VAL 94 Cb -0.09 -3.92 -0.12 0.00 0.00 0.00 0.00 36.38 32.24 2h8d s VAL 94 CO 0.92 -0.12 1.76 -0.67 0.00 0.00 0.00 175.10 176.98 2h8d n ASP 95 N 6.63 3.66 0.28 3.32 -0.08 -1.26 -4.83 116.55 124.26 2h8d n ASP 95 Ca 0.14 1.02 0.16 0.00 -1.51 0.00 0.00 54.79 54.60 2h8d n ASP 95 Cb 0.45 -1.48 0.77 0.00 2.34 0.00 0.00 41.12 43.20 2h8d n ASP 95 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2h8d h PRO 96 N 7.69 0.00 -0.99 -0.67 0.11 -1.98 -1.08 132.00 135.09 2h8d h PRO 96 Ca -0.46 0.00 0.23 0.00 0.11 0.00 0.00 66.00 65.89 2h8d h PRO 96 Cb 1.24 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 2h8d h PRO 96 CO 0.93 0.00 0.64 0.00 -0.21 0.00 0.00 178.00 179.36 2h8d h ALA 97 N 1.33 2.19 0.00 -0.75 0.00 -2.01 -1.54 119.26 118.47 2h8d h ALA 97 Ca 0.05 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2h8d h ALA 97 Cb 0.82 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2h8d h ALA 97 CO -0.00 -0.54 -0.56 -0.91 0.00 0.00 0.00 179.25 177.24 2h8d h ASN 98 N 0.43 0.00 -0.82 0.00 2.35 -1.56 -3.01 115.58 112.97 2h8d h ASN 98 Ca 0.54 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.26 2h8d h ASN 98 Cb 1.33 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.66 2h8d h ASN 98 CO -0.25 0.56 0.40 -0.26 -1.65 0.00 0.00 177.43 176.22 2h8d h PHE 99 N 0.00 1.18 -0.57 1.19 0.04 -1.44 -1.17 116.94 116.16 2h8d h PHE 99 Ca -0.01 -0.05 0.02 0.00 2.80 0.00 0.00 57.97 60.73 2h8d h PHE 99 Cb 1.01 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 2h8d h PHE 99 CO 0.00 0.85 0.38 0.87 -0.60 0.00 0.00 178.31 179.81 2h8d h LYS 100 N 1.17 0.70 -0.01 1.51 1.57 -1.60 0.49 116.57 120.40 2h8d h LYS 100 Ca 0.28 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2h8d h LYS 100 Cb 0.11 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 2h8d h LYS 100 CO -0.04 0.47 -0.01 0.82 -0.57 0.00 0.00 179.45 180.12 2h8d h ILE 101 N 0.72 1.37 -0.92 1.86 2.04 -1.23 -2.41 117.51 118.94 2h8d h ILE 101 Ca 0.22 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 2h8d h ILE 101 Cb -0.02 2.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 2h8d h ILE 101 CO -0.05 0.28 0.55 0.25 0.00 0.00 0.00 178.15 179.18 2h8d h LEU 102 N -0.43 1.12 -0.32 1.44 5.85 -1.11 -2.37 115.31 119.48 2h8d h LEU 102 Ca 0.00 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.69 2h8d h LEU 102 Cb 0.47 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2h8d h LEU 102 CO 0.00 0.86 0.08 0.78 -0.34 0.00 0.00 178.44 179.82 2h8d h ASN 103 N 1.27 0.05 -0.65 1.25 2.35 -0.87 0.28 115.58 119.27 2h8d h ASN 103 Ca 0.33 0.05 0.09 0.00 -0.55 0.00 0.00 56.30 56.21 2h8d h ASN 103 Cb -0.04 0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.31 2h8d h ASN 103 CO -0.06 0.07 0.29 -0.74 -1.65 0.00 0.00 177.43 175.34 2h8d h HIS 104 N 0.20 0.52 -0.83 1.19 -0.00 -1.08 -1.56 115.15 113.59 2h8d h HIS 104 Ca 0.15 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.52 2h8d h HIS 104 Cb 0.15 -0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 27.38 2h8d h HIS 104 CO -0.16 0.18 0.43 0.00 -0.00 0.00 0.00 177.93 178.37 2h8d h ILE 106 N 1.18 1.16 -0.85 0.00 2.04 0.42 -0.64 117.51 120.82 2h8d h ILE 106 Ca 0.29 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.73 2h8d h ILE 106 Cb 0.07 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 2h8d h ILE 106 CO -0.04 0.16 0.54 -0.07 0.00 0.00 0.00 178.15 178.74 2h8d h LEU 107 N 0.34 0.88 -0.90 1.44 3.38 -0.93 -0.49 115.31 119.04 2h8d h LEU 107 Ca 0.10 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2h8d h LEU 107 Cb 0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2h8d h LEU 107 CO -0.01 0.60 0.05 0.58 0.09 0.00 0.00 178.44 179.75 2h8d h VAL 108 N 1.03 1.24 -0.06 1.22 2.07 -0.82 -0.86 116.25 120.07 2h8d h VAL 108 Ca 0.34 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2h8d h VAL 108 Cb 0.04 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2h8d h VAL 108 CO -0.13 0.35 -0.01 0.58 0.02 0.00 0.00 177.57 178.38 2h8d h VAL 109 N 0.82 1.29 -0.92 2.57 2.07 -0.26 -1.83 116.25 119.98 2h8d h VAL 109 Ca 0.16 -0.89 0.07 0.00 0.82 0.00 0.00 66.70 66.86 2h8d h VAL 109 Cb 0.41 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 2h8d h VAL 109 CO 0.01 0.25 0.58 0.40 0.02 0.00 0.00 177.57 178.83 2h8d h ILE 110 N -0.21 1.05 -0.55 4.57 2.04 -1.05 -0.21 117.51 123.16 2h8d h ILE 110 Ca 0.02 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.54 2h8d h ILE 110 Cb 0.40 -0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 2h8d h ILE 110 CO 0.01 0.19 0.33 -1.28 0.00 0.00 0.00 178.15 177.40 2h8d h SER 111 N 1.05 0.53 -0.58 1.72 0.87 -0.93 0.33 113.55 116.54 2h8d h SER 111 Ca 0.40 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.88 2h8d h SER 111 Cb 0.18 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2h8d h SER 111 CO -0.18 0.37 0.06 0.71 -0.53 0.00 0.00 176.83 177.26 2h8d h THR 112 N 0.65 1.26 0.00 2.23 1.35 -0.75 -3.08 112.91 114.57 2h8d h THR 112 Ca 0.22 -1.06 -0.13 0.00 -0.55 0.00 0.00 66.41 64.89 2h8d h THR 112 Cb 0.02 0.73 -0.02 0.00 -1.73 0.00 0.00 68.15 67.15 2h8d h THR 112 CO -0.10 0.39 -1.42 0.23 -0.25 0.00 0.00 175.52 174.37 2h8d n MET 113 N -4.20 0.62 -3.11 4.72 2.81 -0.14 -4.59 117.12 113.22 2h8d n MET 113 Ca 0.04 0.16 -0.21 0.00 -1.81 0.00 0.00 57.70 55.88 2h8d n MET 113 Cb 0.31 -1.78 -0.04 0.00 -0.71 0.00 0.00 33.22 31.00 2h8d n MET 113 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2h8d n PHE 114 N -2.80 1.49 -0.23 2.03 3.72 0.11 -4.94 117.46 116.85 2h8d n PHE 114 Ca -0.09 -3.88 0.03 0.00 -0.05 0.00 0.00 57.45 53.47 2h8d n PHE 114 Cb 0.78 -0.44 0.27 0.00 -0.94 0.00 0.00 39.48 39.15 2h8d n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2h8d h PRO 115 N 3.06 0.93 0.05 -1.08 0.13 -1.70 -0.21 132.00 133.18 2h8d h PRO 115 Ca 0.11 -0.06 -0.24 0.00 -0.87 0.00 0.00 66.00 64.95 2h8d h PRO 115 Cb 0.81 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 2h8d h PRO 115 CO 0.61 0.62 -1.10 0.87 -0.23 0.00 0.00 178.00 178.77 2h8d h LYS 116 N 0.96 0.11 0.01 0.86 1.57 -1.92 -3.24 116.57 114.92 2h8d h LYS 116 Ca 0.31 -0.19 -0.19 0.00 -1.87 0.00 0.00 60.65 58.71 2h8d h LYS 116 Cb 0.04 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2h8d h LYS 116 CO -0.09 1.09 -0.88 0.93 -0.57 0.00 0.00 179.45 179.93 2h8d h GLU 117 N 0.03 0.04 -3.62 3.15 3.07 -1.88 -3.38 114.58 111.98 2h8d h GLU 117 Ca -0.06 -0.05 -0.74 0.00 -0.50 0.00 0.00 59.36 58.01 2h8d h GLU 117 Cb 1.85 0.01 -0.12 0.00 -0.84 0.00 0.00 28.75 29.66 2h8d h GLU 117 CO 0.16 0.89 2.39 0.34 -1.40 0.00 0.00 179.01 181.39 2h8d n PHE 118 N -3.53 3.09 -1.40 4.33 7.35 -0.12 -4.80 117.46 122.38 2h8d n PHE 118 Ca -0.01 -2.84 -0.31 0.00 -0.76 0.00 0.00 57.45 53.52 2h8d n PHE 118 Cb 0.83 -2.13 0.08 0.00 0.35 0.00 0.00 39.48 38.61 2h8d n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2h8d s THR 119 N 1.20 3.41 0.35 -2.13 -4.23 -1.26 -4.76 115.64 108.22 2h8d s THR 119 Ca 0.42 0.50 0.11 0.00 -1.18 0.00 0.00 61.69 61.54 2h8d s THR 119 Cb 0.11 -3.02 0.33 0.00 1.34 0.00 0.00 72.50 71.27 2h8d s THR 119 CO -0.03 -0.56 1.81 -0.65 -0.54 0.00 0.00 174.62 174.65 2h8d h PRO 120 N -0.84 0.61 -0.28 3.99 0.11 -1.98 0.18 132.00 133.78 2h8d h PRO 120 Ca -0.44 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.46 2h8d h PRO 120 Cb 1.23 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2h8d h PRO 120 CO 0.53 0.40 -0.51 0.93 -0.21 0.00 0.00 178.00 179.14 2h8d h GLU 121 N 0.63 0.80 -0.58 1.05 3.07 -1.97 -0.39 114.58 117.19 2h8d h GLU 121 Ca 0.54 -0.48 0.02 0.00 -0.50 0.00 0.00 59.36 58.94 2h8d h GLU 121 Cb 1.02 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.94 2h8d h GLU 121 CO -0.29 1.11 0.36 0.00 -1.40 0.00 0.00 179.01 178.79 2h8d h ALA 122 N 0.79 0.74 -0.34 3.43 0.00 -1.74 -2.78 119.26 119.37 2h8d h ALA 122 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2h8d h ALA 122 Cb 1.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2h8d h ALA 122 CO 0.11 0.09 0.11 1.25 0.00 0.00 0.00 179.25 180.81 2h8d h HIS 123 N 0.70 0.55 -0.59 0.00 6.17 -0.38 0.17 115.15 121.78 2h8d h HIS 123 Ca 0.23 -0.05 -0.03 0.00 0.71 0.00 0.00 60.37 61.23 2h8d h HIS 123 Cb 0.01 -0.16 -0.03 0.00 2.52 0.00 0.00 27.41 29.75 2h8d h HIS 123 CO -0.05 0.54 0.26 -0.24 0.71 0.00 0.00 177.93 179.14 2h8d h VAL 124 N 0.40 1.22 -0.46 5.26 3.04 -0.98 0.10 116.25 124.83 2h8d h VAL 124 Ca 0.11 -0.66 -0.13 0.00 -1.01 0.00 0.00 66.70 65.02 2h8d h VAL 124 Cb 0.24 0.56 -0.01 0.00 -2.01 0.00 0.00 31.29 30.07 2h8d h VAL 124 CO -0.00 0.26 -0.21 0.28 -1.01 0.00 0.00 177.57 176.89 2h8d h SER 125 N 0.80 0.99 -0.13 3.17 0.02 -1.38 -0.34 113.55 116.67 2h8d h SER 125 Ca 0.20 -0.40 -0.12 0.00 -0.84 0.00 0.00 61.79 60.63 2h8d h SER 125 Cb 0.16 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2h8d h SER 125 CO -0.02 1.16 -0.32 0.25 -1.14 0.00 0.00 176.83 176.76 2h8d h LEU 126 N 0.81 0.65 -0.76 5.07 5.85 -0.33 -0.12 115.31 126.47 2h8d h LEU 126 Ca 0.11 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 2h8d h LEU 126 Cb 0.78 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2h8d h LEU 126 CO 0.06 0.92 0.33 -0.78 -0.34 0.00 0.00 178.44 178.64 2h8d h ASP 127 N 0.53 1.02 -0.65 1.25 3.58 -0.63 0.30 116.42 121.83 2h8d h ASP 127 Ca 0.06 -0.16 0.02 0.00 0.42 0.00 0.00 57.03 57.37 2h8d h ASP 127 Cb 0.81 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.56 2h8d h ASP 127 CO 0.07 0.90 0.41 0.11 -2.88 0.00 0.00 179.24 177.85 2h8d h LYS 128 N 1.08 0.80 -0.33 0.28 1.57 -0.85 -1.79 116.57 117.32 2h8d h LYS 128 Ca 0.26 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 2h8d h LYS 128 Cb 0.17 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2h8d h LYS 128 CO -0.03 0.53 -0.07 0.35 -0.57 0.00 0.00 179.45 179.66 2h8d h PHE 129 N 0.82 0.71 -0.03 -1.35 3.57 0.24 -1.65 116.94 119.26 2h8d h PHE 129 Ca 0.25 -0.15 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 2h8d h PHE 129 Cb -0.03 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2h8d h PHE 129 CO -0.04 0.80 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.51 2h8d h LEU 130 N 0.42 0.04 -0.77 0.59 3.38 -0.37 0.23 115.31 118.83 2h8d h LEU 130 Ca 0.09 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2h8d h LEU 130 Cb 0.56 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2h8d h LEU 130 CO 0.03 0.30 -0.08 0.28 0.09 0.00 0.00 178.44 179.06 2h8d h SER 131 N 0.04 0.83 -0.13 -0.43 0.02 -1.04 -0.47 113.55 112.37 2h8d h SER 131 Ca 0.00 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.59 2h8d h SER 131 Cb 0.48 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2h8d h SER 131 CO 0.03 0.94 -0.33 1.23 -1.14 0.00 0.00 176.83 177.56 2h8d h GLY 132 N 0.98 0.68 1.02 -3.77 0.00 -0.30 -1.19 103.07 100.49 2h8d h GLY 132 Ca 0.13 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 2h8d h GLY 132 CO 0.04 0.58 0.46 -2.08 0.00 0.00 0.00 176.54 175.53 2h8d h VAL 133 N 0.53 1.24 -0.72 4.60 2.07 -0.16 -1.56 116.25 122.25 2h8d h VAL 133 Ca 0.06 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 2h8d h VAL 133 Cb 0.83 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2h8d h VAL 133 CO 0.07 0.26 0.22 0.00 0.02 0.00 0.00 177.57 178.14 2h8d h ALA 134 N 1.24 1.04 -0.36 1.67 0.00 -0.79 0.61 119.26 122.67 2h8d h ALA 134 Ca 0.29 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 2h8d h ALA 134 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2h8d h ALA 134 CO -0.05 0.65 -0.41 1.25 0.00 0.00 0.00 179.25 180.69 2h8d h LEU 135 N 1.06 0.96 -0.60 0.00 5.85 -0.97 -2.02 115.31 119.59 2h8d h LEU 135 Ca 0.23 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 2h8d h LEU 135 Cb 0.30 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2h8d h LEU 135 CO -0.01 1.24 0.16 0.00 -0.34 0.00 0.00 178.44 179.49 2h8d h ALA 136 N 0.80 0.79 0.00 1.25 0.00 -1.04 -2.16 119.26 118.90 2h8d h ALA 136 Ca 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2h8d h ALA 136 Cb 1.00 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2h8d h ALA 136 CO 0.10 0.48 -0.15 -0.07 0.00 0.00 0.00 179.25 179.61 2h8d h LEU 137 N 0.86 0.00 -0.09 0.00 3.38 -0.74 -2.01 115.31 116.72 2h8d h LEU 137 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2h8d h LEU 137 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2h8d h LEU 137 CO -0.00 0.15 -0.03 0.00 0.09 0.00 0.00 178.44 178.65 2h8d n ALA 138 N -2.36 2.61 -0.07 1.53 0.00 -0.77 -4.36 120.51 117.08 2h8d n ALA 138 Ca -0.02 -0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.15 2h8d n ALA 138 Cb 0.25 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.24 2h8d n ALA 138 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2h8d h GLU 139 N 0.21 0.08 -0.09 0.00 4.57 -0.81 -2.09 114.58 116.45 2h8d h GLU 139 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2h8d h GLU 139 Cb 0.24 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2h8d h GLU 139 CO 0.00 0.05 0.00 0.54 -1.18 0.00 0.00 179.01 178.42 2h8d n ARG 140 N -5.16 1.22 0.09 1.92 5.12 -1.26 -4.31 116.66 114.28 2h8d n ARG 140 Ca -0.00 -0.34 -0.15 0.00 -1.93 0.00 0.00 57.85 55.43 2h8d n ARG 140 Cb 0.15 -1.08 -0.14 0.00 -1.16 0.00 0.00 32.46 30.23 2h8d n ARG 140 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 2h8d h TYR 141 N 0.56 0.43 0.00 -1.55 -1.99 -1.66 -3.47 116.97 109.29 2h8d h TYR 141 Ca 0.00 -0.31 0.00 0.00 2.00 0.00 0.00 58.73 60.42 2h8d h TYR 141 Cb 0.13 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.84 2h8d h TYR 141 CO 0.06 1.26 0.00 2.89 -0.00 0.00 0.00 178.16 182.37