#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 4.23 0.75 1.04 1.43 -1.26 -5.08 118.68 119.79 2h8d s LEU 2 Ca 0.00 0.82 -0.09 0.00 -1.03 0.00 0.00 54.13 53.84 2h8d s LEU 2 Cb 0.00 -2.77 0.08 0.00 0.03 0.00 0.00 46.19 43.53 2h8d s LEU 2 CO 0.00 -0.10 1.08 -0.94 0.23 0.00 0.00 176.35 176.62 2h8d s SER 3 N 0.87 4.59 0.45 2.29 1.04 -1.26 -4.82 113.70 116.86 2h8d s SER 3 Ca 0.27 0.50 0.13 0.00 0.48 0.00 0.00 55.95 57.33 2h8d s SER 3 Cb -0.16 -1.05 1.02 0.00 0.10 0.00 0.00 66.02 65.93 2h8d s SER 3 CO 0.11 -1.78 2.03 0.44 0.98 0.00 0.00 173.24 175.02 2h8d h ASP 4 N -0.80 0.10 -0.61 7.02 5.19 -1.99 -0.64 116.42 124.68 2h8d h ASP 4 Ca -0.45 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 55.87 2h8d h ASP 4 Cb 1.31 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.77 2h8d h ASP 4 CO 0.59 0.19 0.07 0.50 -3.12 0.00 0.00 179.24 177.48 2h8d h LYS 5 N 0.11 1.04 -0.34 3.56 3.64 -1.99 -0.95 116.57 121.63 2h8d h LYS 5 Ca 0.03 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 2h8d h LYS 5 Cb 0.20 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2h8d h LYS 5 CO 0.01 0.98 0.15 -0.44 -2.27 0.00 0.00 179.45 177.88 2h8d h ASP 6 N 0.94 0.45 -0.85 4.20 3.32 -1.70 -1.18 116.42 121.60 2h8d h ASP 6 Ca 0.18 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2h8d h ASP 6 Cb 0.47 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 2h8d h ASP 6 CO 0.02 0.48 0.50 0.11 -1.72 0.00 0.00 179.24 178.62 2h8d h LYS 7 N 0.40 1.16 -0.32 3.56 1.57 -0.89 -1.08 116.57 120.96 2h8d h LYS 7 Ca 0.11 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2h8d h LYS 7 Cb 0.15 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2h8d h LYS 7 CO -0.01 0.82 -0.29 0.00 -0.57 0.00 0.00 179.45 179.40 2h8d h ALA 8 N 1.27 0.89 -0.38 3.86 0.00 -0.98 -1.46 119.26 122.48 2h8d h ALA 8 Ca 0.30 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2h8d h ALA 8 Cb -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2h8d h ALA 8 CO -0.05 0.62 -0.26 0.00 0.00 0.00 0.00 179.25 179.56 2h8d h ALA 9 N 1.11 0.84 -0.34 0.00 0.00 -0.43 0.82 119.26 121.26 2h8d h ALA 9 Ca 0.07 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2h8d h ALA 9 Cb 0.78 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2h8d h ALA 9 CO 0.06 0.64 -0.19 0.28 0.00 0.00 0.00 179.25 180.04 2h8d h VAL 10 N 0.67 1.29 -0.41 0.00 2.07 -1.11 -1.29 116.25 117.47 2h8d h VAL 10 Ca 0.09 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 2h8d h VAL 10 Cb 0.78 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 2h8d h VAL 10 CO 0.06 0.43 0.15 0.03 0.02 0.00 0.00 177.57 178.26 2h8d h ARG 11 N 0.52 0.63 -0.71 1.57 3.08 -1.10 0.07 114.38 118.43 2h8d h ARG 11 Ca 0.07 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2h8d h ARG 11 Cb 0.74 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 2h8d h ARG 11 CO 0.06 0.60 0.34 0.00 -1.07 0.00 0.00 179.97 179.90 2h8d h ALA 12 N 0.99 0.92 -0.13 0.04 0.00 -0.77 -0.46 119.26 119.85 2h8d h ALA 12 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2h8d h ALA 12 Cb 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2h8d h ALA 12 CO -0.01 0.49 0.03 1.25 0.00 0.00 0.00 179.25 181.01 2h8d h LEU 13 N 1.00 0.19 -1.66 0.00 5.85 -1.03 -2.60 115.31 117.06 2h8d h LEU 13 Ca 0.24 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2h8d h LEU 13 Cb 0.12 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2h8d h LEU 13 CO -0.03 0.37 0.02 -0.25 -0.34 0.00 0.00 178.44 178.21 2h8d h TRP 14 N 0.01 0.23 -0.72 1.25 2.91 -0.84 0.23 115.95 119.03 2h8d h TRP 14 Ca 0.04 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.07 2h8d h TRP 14 Cb 0.25 -0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 28.78 2h8d h TRP 14 CO 0.01 0.23 0.46 1.03 -1.03 0.00 0.00 178.44 179.14 2h8d h SER 15 N 0.24 0.78 -0.17 2.65 0.87 -0.91 0.68 113.55 117.69 2h8d h SER 15 Ca 0.06 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.50 2h8d h SER 15 Cb 0.13 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2h8d h SER 15 CO -0.00 0.55 -0.33 0.11 -0.53 0.00 0.00 176.83 176.63 2h8d h LYS 16 N 0.92 0.52 0.00 2.24 1.57 -0.87 -3.39 116.57 117.56 2h8d h LYS 16 Ca 0.28 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2h8d h LYS 16 Cb -0.04 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2h8d h LYS 16 CO -0.09 0.94 -0.72 0.44 -0.57 0.00 0.00 179.45 179.46 2h8d n ILE 17 N -4.34 0.00 0.26 1.86 -5.35 -0.04 -4.66 119.36 107.08 2h8d n ILE 17 Ca -0.06 -0.17 0.10 0.00 -0.27 0.00 0.00 62.75 62.34 2h8d n ILE 17 Cb 0.49 0.96 0.69 0.00 -1.74 0.00 0.00 39.64 40.04 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 3.31 0.00 2.00 3.28 0.00 -1.07 -0.31 103.07 110.28 2h8d h GLY 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2h8d h GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.04 2h8d h LYS 19 N 0.00 0.00 -0.55 4.80 1.79 -1.83 -1.72 116.57 119.06 2h8d h LYS 19 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2h8d h LYS 19 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2h8d h LYS 19 CO -0.00 0.00 0.00 0.43 -1.08 0.00 0.00 179.45 178.80 2h8d n SER 20 N -2.42 5.59 -0.20 0.86 7.64 -0.13 -4.67 113.62 120.29 2h8d n SER 20 Ca 0.00 -2.95 0.00 0.00 1.01 0.00 0.00 58.87 56.94 2h8d n SER 20 Cb 0.16 -0.67 0.09 0.00 -1.01 0.00 0.00 64.21 62.77 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 3.80 0.54 -0.37 -0.43 0.00 -1.38 -0.22 119.26 121.19 2h8d h ALA 21 Ca 0.00 0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.18 2h8d h ALA 21 Cb 1.94 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 20.05 2h8d h ALA 21 CO 0.47 -0.41 0.05 -0.44 0.00 0.00 0.00 179.25 178.92 2h8d h ASP 22 N 0.07 -0.05 0.01 0.00 3.32 -1.85 0.25 116.42 118.17 2h8d h ASP 22 Ca 0.31 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 2h8d h ASP 22 Cb 0.50 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2h8d h ASP 22 CO -0.56 0.01 -0.00 0.00 -1.72 0.00 0.00 179.24 176.97 2h8d h ALA 23 N 1.29 -0.01 -0.66 3.45 0.00 -1.76 -1.66 119.26 119.91 2h8d h ALA 23 Ca 0.18 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.21 2h8d h ALA 23 Cb 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.90 2h8d h ALA 23 CO -0.26 -0.49 -0.06 0.82 0.00 0.00 0.00 179.25 179.27 2h8d h ILE 24 N -0.04 0.40 -0.42 0.00 2.04 -0.60 -0.62 117.51 118.27 2h8d h ILE 24 Ca -0.00 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 2h8d h ILE 24 Cb 0.04 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 2h8d h ILE 24 CO 0.00 0.01 0.11 1.23 0.00 0.00 0.00 178.15 179.51 2h8d h GLY 25 N 0.07 0.71 0.85 5.37 0.00 -0.65 0.11 103.07 109.53 2h8d h GLY 25 Ca 0.34 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2h8d h GLY 25 CO -0.61 0.41 -0.15 -0.57 0.00 0.00 0.00 176.54 175.61 2h8d h ASN 26 N 0.53 -0.40 -0.46 0.19 -0.00 -0.86 -1.86 115.58 112.72 2h8d h ASN 26 Ca 0.13 0.03 0.02 0.00 -0.00 0.00 0.00 56.30 56.49 2h8d h ASN 26 Cb 0.29 0.13 -0.03 0.00 -0.00 0.00 0.00 38.32 38.72 2h8d h ASN 26 CO -0.00 -0.24 0.27 -0.78 -0.00 0.00 0.00 177.43 176.68 2h8d h ASP 27 N -0.35 0.44 -0.46 1.15 1.82 -0.96 -0.10 116.42 117.95 2h8d h ASP 27 Ca -0.01 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.50 2h8d h ASP 27 Cb 0.32 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 2h8d h ASP 27 CO -0.02 0.32 -0.24 0.00 -1.61 0.00 0.00 179.24 177.68 2h8d h ALA 28 N 1.21 0.65 -0.10 -0.78 0.00 -0.67 -0.18 119.26 119.39 2h8d h ALA 28 Ca 0.18 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 2h8d h ALA 28 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2h8d h ALA 28 CO -0.08 0.66 -0.58 -0.07 0.00 0.00 0.00 179.25 179.17 2h8d h LEU 29 N 0.82 0.34 -0.23 0.00 3.38 -1.21 -0.26 115.31 118.15 2h8d h LEU 29 Ca 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2h8d h LEU 29 Cb 0.83 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2h8d h LEU 29 CO 0.07 0.85 0.15 0.28 0.09 0.00 0.00 178.44 179.88 2h8d h SER 30 N 0.23 0.26 -0.56 -0.43 0.02 -0.80 -1.58 113.55 110.69 2h8d h SER 30 Ca -0.00 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2h8d h SER 30 Cb 1.08 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 2h8d h SER 30 CO 0.09 0.19 0.17 0.03 -1.14 0.00 0.00 176.83 176.18 2h8d h ARG 31 N 0.31 0.87 -0.34 3.45 3.08 -0.78 -2.70 114.38 118.27 2h8d h ARG 31 Ca 0.09 -0.19 0.07 0.00 0.07 0.00 0.00 59.98 60.02 2h8d h ARG 31 Cb -0.03 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 29.83 2h8d h ARG 31 CO -0.02 0.79 -0.07 1.98 -1.07 0.00 0.00 179.97 181.58 2h8d h MET 32 N 0.78 0.02 0.00 0.04 4.05 -0.67 -0.16 114.93 118.99 2h8d h MET 32 Ca 0.18 -0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.55 2h8d h MET 32 Cb 0.28 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 2h8d h MET 32 CO -0.01 0.01 -0.25 -0.84 0.23 0.00 0.00 176.91 176.06 2h8d h ILE 33 N 0.02 0.44 0.00 1.77 3.07 -1.18 0.69 117.51 122.32 2h8d h ILE 33 Ca 0.17 -1.52 -0.00 0.00 1.55 0.00 0.00 64.86 65.05 2h8d h ILE 33 Cb 0.25 2.13 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 2h8d h ILE 33 CO -0.34 0.24 -0.00 0.58 -1.05 0.00 0.00 178.15 177.58 2h8d h VAL 34 N 0.00 1.73 0.06 0.16 2.07 -1.28 -3.23 116.25 115.76 2h8d h VAL 34 Ca -0.00 -2.23 -0.24 0.00 0.82 0.00 0.00 66.70 65.05 2h8d h VAL 34 Cb 1.11 3.23 -0.02 0.00 -1.52 0.00 0.00 31.29 34.10 2h8d h VAL 34 CO 0.03 0.57 -1.11 0.58 0.02 0.00 0.00 177.57 177.67 2h8d h VAL 35 N -0.96 1.62 -2.16 2.57 2.07 -1.12 -3.37 116.25 114.89 2h8d h VAL 35 Ca -0.00 -3.27 -0.59 0.00 0.82 0.00 0.00 66.70 63.66 2h8d h VAL 35 Cb 0.94 2.89 -0.41 0.00 -1.52 0.00 0.00 31.29 33.19 2h8d h VAL 35 CO 0.00 0.94 -0.72 -1.22 0.02 0.00 0.00 177.57 176.59 2h8d n TYR 36 N -3.43 2.65 0.33 1.57 4.02 0.23 -4.95 117.16 117.58 2h8d n TYR 36 Ca -0.04 -4.01 0.21 0.00 -0.01 0.00 0.00 57.90 54.05 2h8d n TYR 36 Cb 0.98 -0.51 1.12 0.00 -0.02 0.00 0.00 39.34 40.91 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 4.16 0.00 0.00 -0.72 0.13 -1.73 0.11 132.00 133.95 2h8d h PRO 37 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2h8d h PRO 37 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 2h8d h PRO 37 CO 0.74 0.00 -0.00 -0.56 -0.23 0.00 0.00 178.00 177.96 2h8d h GLN 38 N 0.00 0.00 0.00 0.86 -0.00 -1.91 -0.87 115.11 113.19 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 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.56 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 -1.10 -2.65 112.91 112.37 2h8d h THR 39 Ca -0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2h8d h THR 39 Cb 0.21 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 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 -2.74 0.14 -0.10 4.72 5.02 -0.33 -2.24 118.16 122.62 2h8d n LYS 40 Ca 0.01 0.49 0.18 0.00 -2.02 0.00 0.00 58.31 56.96 2h8d n LYS 40 Cb 0.23 -1.83 0.59 0.00 -0.02 0.00 0.00 35.03 33.99 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 0.76 0.00 -0.18 1.35 -1.67 -0.51 112.91 112.67 2h8d h THR 41 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 2h8d h THR 41 Cb 0.20 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 2h8d h THR 41 CO 0.00 0.04 0.00 -1.22 -0.25 0.00 0.00 175.52 174.09 2h8d n TYR 42 N -4.43 0.00 -1.11 4.73 4.01 -0.95 -3.46 117.16 115.96 2h8d n TYR 42 Ca 0.13 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.96 2h8d n TYR 42 Cb 0.57 -0.30 0.17 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.30 0.17 0.30 -0.72 3.72 -0.20 -4.68 117.46 114.75 2h8d n PHE 43 Ca 0.13 -1.03 0.19 0.00 -0.05 0.00 0.00 57.45 56.69 2h8d n PHE 43 Cb 0.24 -0.19 1.01 0.00 -0.94 0.00 0.00 39.48 39.59 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 0.37 0.00 0.96 4.37 4.64 -1.58 -0.81 113.55 121.50 2h8d h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2h8d h SER 44 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2h8d h SER 44 CO 0.04 0.00 -0.26 0.00 -0.87 0.00 0.00 176.83 175.74 2h8d n HIS 45 N -3.25 0.34 -2.05 4.77 1.44 -1.26 -4.87 115.22 110.33 2h8d n HIS 45 Ca -0.02 0.10 -0.33 0.00 -2.01 0.00 0.00 57.72 55.47 2h8d n HIS 45 Cb 0.21 -0.58 0.01 0.00 0.12 0.00 0.00 29.99 29.75 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 3.05 0.39 -1.40 0.51 -0.31 -4.93 118.94 113.18 2h8d s TRP 46 Ca 0.11 1.50 0.15 0.00 -2.12 0.00 0.00 56.10 55.74 2h8d s TRP 46 Cb 0.16 -2.98 1.00 0.00 -0.81 0.00 0.00 33.47 30.84 2h8d s TRP 46 CO 0.63 -1.04 1.83 -1.35 -0.51 0.00 0.00 176.95 176.51 2h8d h PRO 47 N 0.42 0.48 -2.99 4.98 0.11 -1.89 -3.44 132.00 129.67 2h8d h PRO 47 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2h8d h PRO 47 Cb 1.22 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2h8d h PRO 47 CO 0.58 0.32 0.28 0.16 -0.21 0.00 0.00 178.00 179.12 2h8d s ASP 48 N -5.55 -0.02 -0.34 -2.05 1.47 -1.26 -5.14 116.67 103.78 2h8d s ASP 48 Ca -0.09 -1.10 -0.00 0.00 1.18 0.00 0.00 52.55 52.54 2h8d s ASP 48 Cb 0.23 0.84 0.14 0.00 -0.34 0.00 0.00 42.92 43.79 2h8d s ASP 48 CO 0.79 -1.65 0.20 -0.69 0.68 0.00 0.00 175.17 174.50 2h8d s VAL 49 N -2.43 0.11 -0.01 2.11 1.01 -1.26 -5.00 120.40 114.92 2h8d s VAL 49 Ca 0.15 -1.61 -0.03 0.00 0.00 0.00 0.00 61.98 60.50 2h8d s VAL 49 Cb -0.05 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 2h8d s VAL 49 CO 0.11 -0.96 0.05 0.42 0.00 0.00 0.00 175.10 174.72 2h8d s THR 50 N 1.18 0.05 0.31 3.92 -4.23 -1.26 -5.06 115.64 110.55 2h8d s THR 50 Ca 0.17 -0.42 -0.28 0.00 -1.18 0.00 0.00 61.69 59.99 2h8d s THR 50 Cb -0.22 -0.22 -0.13 0.00 1.34 0.00 0.00 72.50 73.27 2h8d s THR 50 CO -0.03 -0.23 1.08 -0.81 -0.54 0.00 0.00 174.62 174.09 2h8d n PRO 51 N 2.28 1.54 -0.95 3.99 -0.04 -1.26 -2.05 135.00 138.51 2h8d n PRO 51 Ca -0.18 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2h8d n PRO 51 Cb 0.57 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 1.11 0.07 3.62 0.55 0.00 -1.26 -4.97 105.19 104.30 2h8d n GLY 52 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.01 2.33 0.36 1.61 1.04 -0.87 -4.63 113.70 111.53 2h8d s SER 53 Ca 0.00 1.71 0.04 0.00 0.48 0.00 0.00 55.95 58.17 2h8d s SER 53 Cb 0.00 -2.34 0.68 0.00 0.10 0.00 0.00 66.02 64.46 2h8d s SER 53 CO 0.00 -3.39 2.01 -0.65 0.98 0.00 0.00 173.24 172.19 2h8d h PRO 54 N -2.07 0.78 -0.27 4.02 0.11 -1.93 0.45 132.00 133.09 2h8d h PRO 54 Ca -0.52 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.38 2h8d h PRO 54 Cb 1.30 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2h8d h PRO 54 CO 0.49 0.52 -0.47 0.45 -0.21 0.00 0.00 178.00 178.77 2h8d h HIS 55 N 0.80 0.87 -0.28 0.65 3.86 -1.93 -0.15 115.15 118.97 2h8d h HIS 55 Ca 0.24 -0.29 -0.14 0.00 -1.16 0.00 0.00 60.37 59.03 2h8d h HIS 55 Cb -0.02 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 2h8d h HIS 55 CO -0.00 1.05 -0.39 0.82 0.86 0.00 0.00 177.93 180.27 2h8d h ILE 56 N 0.57 1.29 -0.23 2.45 1.08 -1.69 -0.59 117.51 120.39 2h8d h ILE 56 Ca 0.03 -1.55 -0.01 0.00 -0.39 0.00 0.00 64.86 62.94 2h8d h ILE 56 Cb 1.03 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 36.26 2h8d h ILE 56 CO 0.10 0.50 0.11 0.50 -0.69 0.00 0.00 178.15 178.67 2h8d h LYS 57 N 0.55 0.34 -0.32 2.37 3.64 0.16 -0.17 116.57 123.14 2h8d h LYS 57 Ca 0.05 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2h8d h LYS 57 Cb 0.91 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 2h8d h LYS 57 CO 0.08 0.36 -0.16 0.00 -2.27 0.00 0.00 179.45 177.46 2h8d h ALA 58 N 0.96 1.12 -0.21 5.00 0.00 -0.93 -2.62 119.26 122.58 2h8d h ALA 58 Ca 0.08 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 2h8d h ALA 58 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2h8d h ALA 58 CO -0.01 0.55 -0.32 1.25 0.00 0.00 0.00 179.25 180.71 2h8d h HIS 59 N 0.52 0.50 -0.54 0.00 -0.00 -0.85 -2.62 115.15 112.16 2h8d h HIS 59 Ca 0.09 -0.12 -0.06 0.00 -0.00 0.00 0.00 60.37 60.28 2h8d h HIS 59 Cb 0.58 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.85 2h8d h HIS 59 CO 0.02 0.71 0.09 0.78 -0.00 0.00 0.00 177.93 179.53 2h8d h GLY 60 N 1.07 0.93 0.80 5.26 0.00 -0.68 0.30 103.07 110.76 2h8d h GLY 60 Ca 0.05 -0.57 0.02 0.00 0.00 0.00 0.00 47.33 46.82 2h8d h GLY 60 CO 0.06 0.54 0.01 0.50 0.00 0.00 0.00 176.54 177.65 2h8d h LYS 61 N 0.82 0.07 -0.18 4.80 1.57 -1.21 -1.18 116.57 121.26 2h8d h LYS 61 Ca 0.17 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2h8d h LYS 61 Cb 0.37 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2h8d h LYS 61 CO 0.01 0.05 0.07 0.87 -0.57 0.00 0.00 179.45 179.87 2h8d h LYS 62 N 0.07 0.27 -0.11 3.15 1.57 -1.09 -1.14 116.57 119.29 2h8d h LYS 62 Ca 0.07 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2h8d h LYS 62 Cb 0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2h8d h LYS 62 CO -0.10 0.34 0.05 0.28 -0.57 0.00 0.00 179.45 179.45 2h8d h VAL 63 N 0.13 1.13 0.00 0.50 2.07 -0.82 -2.00 116.25 117.27 2h8d h VAL 63 Ca 0.06 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 2h8d h VAL 63 Cb 0.17 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2h8d h VAL 63 CO -0.00 0.12 -0.10 0.24 0.02 0.00 0.00 177.57 177.85 2h8d h MET 64 N 0.04 0.00 -0.87 1.57 2.86 -1.21 -1.35 114.93 115.97 2h8d h MET 64 Ca 0.04 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2h8d h MET 64 Cb 0.14 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 2h8d h MET 64 CO -0.00 0.10 0.54 0.78 1.06 0.00 0.00 176.91 179.38 2h8d h GLY 65 N 2.26 1.26 1.13 8.32 0.00 -0.91 0.22 103.07 115.35 2h8d h GLY 65 Ca -0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 2h8d h GLY 65 CO 0.01 0.50 0.44 -1.33 0.00 0.00 0.00 176.54 176.16 2h8d h GLY 66 N 1.20 1.22 1.20 4.60 0.00 -0.52 -1.33 103.07 109.43 2h8d h GLY 66 Ca 0.31 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 2h8d h GLY 66 CO -0.06 0.53 -0.23 -2.22 0.00 0.00 0.00 176.54 174.56 2h8d h ILE 67 N 1.14 1.27 -0.84 2.60 1.08 -0.88 0.19 117.51 122.07 2h8d h ILE 67 Ca 0.29 -1.38 -0.03 0.00 -0.39 0.00 0.00 64.86 63.35 2h8d h ILE 67 Cb 0.04 1.17 -0.04 0.00 -3.07 0.00 0.00 36.82 34.91 2h8d h ILE 67 CO -0.05 0.47 0.42 0.00 -0.69 0.00 0.00 178.15 178.30 2h8d h ALA 68 N 0.95 1.14 -0.04 1.87 0.00 -0.75 0.88 119.26 123.31 2h8d h ALA 68 Ca 0.10 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2h8d h ALA 68 Cb 0.78 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2h8d h ALA 68 CO 0.06 0.66 -0.00 1.25 0.00 0.00 0.00 179.25 181.22 2h8d h LEU 69 N 1.20 -0.02 -0.97 0.00 5.85 -0.99 -1.88 115.31 118.49 2h8d h LEU 69 Ca 0.29 0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.03 2h8d h LEU 69 Cb 0.10 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 2h8d h LEU 69 CO -0.04 -0.01 0.65 0.00 -0.34 0.00 0.00 178.44 178.70 2h8d h ALA 70 N 1.04 1.24 -0.50 1.25 0.00 -0.54 0.73 119.26 122.48 2h8d h ALA 70 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2h8d h ALA 70 Cb 0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2h8d h ALA 70 CO -0.04 0.62 0.33 0.28 0.00 0.00 0.00 179.25 180.44 2h8d h VAL 71 N 1.32 1.14 0.00 0.00 2.07 -0.48 -0.03 116.25 120.26 2h8d h VAL 71 Ca 0.36 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 2h8d h VAL 71 Cb -0.15 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2h8d h VAL 71 CO -0.08 0.13 -0.18 0.77 0.02 0.00 0.00 177.57 178.23 2h8d h SER 72 N 0.68 0.00 -0.47 0.57 4.64 -0.53 -2.81 113.55 115.64 2h8d h SER 72 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2h8d h SER 72 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2h8d h SER 72 CO -0.04 0.18 0.00 0.29 -0.87 0.00 0.00 176.83 176.39 2h8d n LYS 73 N -3.63 4.09 0.28 4.77 4.76 0.17 -4.70 118.16 123.91 2h8d n LYS 73 Ca -0.01 -3.02 0.17 0.00 -2.87 0.00 0.00 58.31 52.58 2h8d n LYS 73 Cb 0.31 -2.08 0.95 0.00 -1.84 0.00 0.00 35.03 32.37 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 3.19 0.39 0.00 -0.18 2.10 -0.75 -0.52 117.51 121.75 2h8d h ILE 74 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2h8d h ILE 74 Cb 1.74 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 38.41 2h8d h ILE 74 CO 0.37 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 177.91 2h8d n ASP 75 N -3.66 0.48 -2.82 2.19 8.00 -1.26 -4.31 116.55 115.17 2h8d n ASP 75 Ca -0.02 0.55 -0.06 0.00 0.71 0.00 0.00 54.79 55.97 2h8d n ASP 75 Cb 0.16 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.58 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 -1.95 -3.14 0.06 -2.24 2.03 -0.22 -5.01 116.55 106.08 2h8d n ASP 76 Ca 0.06 -2.89 -0.00 0.00 0.52 0.00 0.00 54.79 52.47 2h8d n ASP 76 Cb 0.37 1.54 0.29 0.00 -0.72 0.00 0.00 41.12 42.60 2h8d n ASP 76 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2h8d h LEU 77 N 4.99 0.35 -0.03 -2.67 3.38 -1.70 -0.17 115.31 119.46 2h8d h LEU 77 Ca 0.07 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2h8d h LEU 77 Cb 1.09 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 2h8d h LEU 77 CO 0.07 0.56 -0.28 0.50 0.09 0.00 0.00 178.44 179.38 2h8d h LYS 78 N 0.33 -0.39 -0.30 1.13 3.64 -1.91 0.13 116.57 119.20 2h8d h LYS 78 Ca 0.06 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2h8d h LYS 78 Cb 0.53 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 2h8d h LYS 78 CO 0.03 -0.26 -0.04 1.15 -2.27 0.00 0.00 179.45 178.07 2h8d h THR 79 N -0.41 1.27 -0.80 1.00 2.02 -1.92 -2.92 112.91 111.16 2h8d h THR 79 Ca 0.07 -1.03 0.03 0.00 0.77 0.00 0.00 66.41 66.25 2h8d h THR 79 Cb 0.50 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 2h8d h THR 79 CO -0.26 0.33 0.53 1.23 0.37 0.00 0.00 175.52 177.72 2h8d h GLY 80 N 0.33 1.12 -2.08 2.16 0.00 -0.69 -3.00 103.07 100.91 2h8d h GLY 80 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2h8d h GLY 80 CO 0.02 0.35 0.00 1.04 0.00 0.00 0.00 176.54 177.96 2h8d n LEU 81 N -4.44 4.04 -0.28 3.11 4.77 0.42 -4.66 117.00 119.95 2h8d n LEU 81 Ca 0.10 -2.59 0.02 0.00 -0.03 0.00 0.00 56.01 53.50 2h8d n LEU 81 Cb 0.09 -0.48 0.15 0.00 -2.33 0.00 0.00 43.42 40.85 2h8d n LEU 81 CO 0.35 0.72 1.13 -0.03 -1.33 0.00 0.00 177.39 178.24 2h8d h MET 82 N 2.67 0.77 -0.58 3.23 4.05 -1.36 0.24 114.93 123.95 2h8d h MET 82 Ca 0.00 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.30 2h8d h MET 82 Cb 1.31 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.91 2h8d h MET 82 CO 0.19 0.51 0.09 0.93 0.23 0.00 0.00 176.91 178.85 2h8d h GLU 83 N 0.79 0.97 -0.59 0.39 5.08 -1.84 0.22 114.58 119.60 2h8d h GLU 83 Ca 0.37 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2h8d h GLU 83 Cb 0.30 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2h8d h GLU 83 CO -0.22 0.92 0.13 -0.07 -1.00 0.00 0.00 179.01 178.77 2h8d h LEU 84 N 0.87 0.90 -0.52 1.33 3.38 -1.76 -2.19 115.31 117.32 2h8d h LEU 84 Ca 0.18 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2h8d h LEU 84 Cb 0.43 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2h8d h LEU 84 CO 0.01 0.91 0.33 -1.28 0.09 0.00 0.00 178.44 178.50 2h8d h SER 85 N 0.86 0.55 -0.06 -0.43 0.87 -0.01 -1.25 113.55 114.09 2h8d h SER 85 Ca 0.18 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 2h8d h SER 85 Cb 0.37 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2h8d h SER 85 CO 0.00 0.39 -0.07 -0.08 -0.53 0.00 0.00 176.83 176.54 2h8d h GLU 86 N 0.66 0.30 -0.26 2.24 4.57 -0.73 0.07 114.58 121.43 2h8d h GLU 86 Ca 0.20 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.27 2h8d h GLU 86 Cb -0.03 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 2h8d h GLU 86 CO -0.07 0.39 -0.02 0.37 -1.18 0.00 0.00 179.01 178.50 2h8d h GLN 87 N 0.29 0.48 -0.15 1.92 5.75 -0.82 -0.77 115.11 121.81 2h8d h GLN 87 Ca 0.06 -0.16 -0.12 0.00 -0.15 0.00 0.00 58.65 58.28 2h8d h GLN 87 Cb 0.32 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 2h8d h GLN 87 CO 0.01 0.66 -0.44 0.45 -2.65 0.00 0.00 178.83 176.87 2h8d h HIS 88 N 0.25 0.42 0.56 3.99 3.86 -0.85 -1.60 115.15 121.78 2h8d h HIS 88 Ca 0.07 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 2h8d h HIS 88 Cb 0.46 -0.09 0.01 0.00 1.06 0.00 0.00 27.41 28.85 2h8d h HIS 88 CO 0.04 0.73 -0.27 0.00 0.86 0.00 0.00 177.93 179.30 2h8d h ALA 89 N 1.25 -0.76 0.00 2.45 0.00 -0.93 0.35 119.26 121.62 2h8d h ALA 89 Ca 0.02 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 2h8d h ALA 89 Cb 0.89 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2h8d h ALA 89 CO 0.07 -0.71 -1.08 1.88 0.00 0.00 0.00 179.25 179.41 2h8d h TYR 90 N -1.18 0.00 0.06 0.00 0.05 -1.20 -3.25 116.97 111.45 2h8d h TYR 90 Ca -0.08 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 2h8d h TYR 90 Cb 0.59 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.34 2h8d h TYR 90 CO 0.00 1.19 -0.03 -0.22 -1.05 0.00 0.00 178.16 178.05 2h8d h LYS 91 N -1.00 -0.08 0.00 4.88 3.11 -1.60 -3.37 116.57 118.50 2h8d h LYS 91 Ca -0.27 0.01 -0.23 0.00 -2.81 0.00 0.00 60.65 57.34 2h8d h LYS 91 Cb 1.13 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.34 2h8d h LYS 91 CO -0.17 0.28 -1.93 1.28 -2.81 0.00 0.00 179.45 176.11 2h8d n LEU 92 N -4.95 0.39 -3.94 5.20 4.77 -0.64 -5.01 117.00 112.82 2h8d n LEU 92 Ca -0.08 0.18 -0.28 0.00 -0.03 0.00 0.00 56.01 55.80 2h8d n LEU 92 Cb 0.21 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2h8d n LEU 92 CO 0.33 0.29 -0.08 0.54 -1.33 0.00 0.00 177.39 177.13 2h8d n ARG 93 N -2.75 -4.14 -2.76 3.23 5.12 0.12 -4.91 116.66 110.56 2h8d n ARG 93 Ca -0.19 0.49 -0.42 0.00 -1.93 0.00 0.00 57.85 55.80 2h8d n ARG 93 Cb 0.95 -4.99 -0.03 0.00 -1.16 0.00 0.00 32.46 27.22 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 -3.62 4.77 0.18 1.55 1.01 -0.94 -4.99 120.40 118.36 2h8d s VAL 94 Ca 0.29 1.84 -0.32 0.00 0.00 0.00 0.00 61.98 63.79 2h8d s VAL 94 Cb -0.15 -4.23 -0.12 0.00 0.00 0.00 0.00 36.38 31.88 2h8d s VAL 94 CO 0.87 -0.09 1.71 -0.67 0.00 0.00 0.00 175.10 176.92 2h8d n ASP 95 N 5.85 3.82 0.08 3.32 -0.08 -1.26 -4.85 116.55 123.44 2h8d n ASP 95 Ca 0.09 1.05 0.19 0.00 -1.51 0.00 0.00 54.79 54.61 2h8d n ASP 95 Cb 0.47 -1.54 0.73 0.00 2.34 0.00 0.00 41.12 43.12 2h8d n ASP 95 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2h8d h PRO 96 N 6.86 0.00 -0.77 -0.67 0.13 -1.98 -0.31 132.00 135.25 2h8d h PRO 96 Ca -0.44 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.91 2h8d h PRO 96 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2h8d h PRO 96 CO 0.94 0.00 0.56 0.00 -0.23 0.00 0.00 178.00 179.27 2h8d h ALA 97 N 1.71 2.73 0.00 -0.56 0.00 -2.01 -1.46 119.26 119.67 2h8d h ALA 97 Ca 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2h8d h ALA 97 Cb 0.85 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2h8d h ALA 97 CO -0.00 -0.95 -0.10 -0.91 0.00 0.00 0.00 179.25 177.28 2h8d h ASN 98 N 0.00 0.00 -0.15 0.00 2.35 -1.41 -2.49 115.58 113.88 2h8d h ASN 98 Ca 0.37 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.04 2h8d h ASN 98 Cb 1.47 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.83 2h8d h ASN 98 CO -0.00 0.10 -0.13 -0.26 -1.65 0.00 0.00 177.43 175.48 2h8d h PHE 99 N 0.00 0.56 -0.38 1.19 0.04 -1.43 -0.75 116.94 116.17 2h8d h PHE 99 Ca -0.00 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.64 2h8d h PHE 99 Cb 0.77 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.76 2h8d h PHE 99 CO 0.00 0.64 0.08 0.87 -0.60 0.00 0.00 178.31 179.30 2h8d h LYS 100 N 0.48 0.61 -0.02 1.51 1.57 -1.52 0.12 116.57 119.32 2h8d h LYS 100 Ca 0.09 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2h8d h LYS 100 Cb 0.52 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 2h8d h LYS 100 CO 0.03 0.65 0.01 0.82 -0.57 0.00 0.00 179.45 180.39 2h8d h ILE 101 N 0.46 1.02 -0.13 1.86 2.04 -1.35 -2.30 117.51 119.11 2h8d h ILE 101 Ca 0.12 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.80 2h8d h ILE 101 Cb 0.32 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2h8d h ILE 101 CO 0.00 0.02 -0.42 0.25 0.00 0.00 0.00 178.15 178.01 2h8d h LEU 102 N -0.01 0.31 -0.95 1.44 5.85 -1.02 -2.31 115.31 118.62 2h8d h LEU 102 Ca 0.01 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.64 2h8d h LEU 102 Cb 0.02 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 2h8d h LEU 102 CO -0.00 0.70 0.62 0.78 -0.34 0.00 0.00 178.44 180.19 2h8d h ASN 103 N 0.25 1.00 -0.32 1.25 2.35 -0.63 -0.83 115.58 118.65 2h8d h ASN 103 Ca 0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2h8d h ASN 103 Cb 0.84 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 2h8d h ASN 103 CO 0.07 0.66 0.19 -0.74 -1.65 0.00 0.00 177.43 175.97 2h8d h HIS 104 N 1.16 0.43 -0.61 1.19 2.76 -0.98 -2.16 115.15 116.94 2h8d h HIS 104 Ca 0.40 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.53 2h8d h HIS 104 Cb 0.09 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 2h8d h HIS 104 CO -0.01 0.31 0.25 0.00 -1.30 0.00 0.00 177.93 177.19 2h8d h ILE 106 N 0.86 1.25 -0.51 0.00 2.04 -0.78 0.15 117.51 120.53 2h8d h ILE 106 Ca 0.21 -0.66 -0.12 0.00 1.00 0.00 0.00 64.86 65.29 2h8d h ILE 106 Cb 0.15 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 2h8d h ILE 106 CO -0.02 0.29 -0.14 -0.07 0.00 0.00 0.00 178.15 178.21 2h8d h LEU 107 N 1.17 1.00 -0.31 1.44 3.38 -0.67 0.68 115.31 122.00 2h8d h LEU 107 Ca 0.29 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2h8d h LEU 107 Cb 0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2h8d h LEU 107 CO -0.04 1.14 0.14 0.58 0.09 0.00 0.00 178.44 180.34 2h8d h VAL 108 N 0.85 1.17 -0.05 1.22 2.07 -0.70 -0.95 116.25 119.86 2h8d h VAL 108 Ca 0.13 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.17 2h8d h VAL 108 Cb 0.71 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2h8d h VAL 108 CO 0.05 0.18 -0.08 0.58 0.02 0.00 0.00 177.57 178.31 2h8d h VAL 109 N 0.36 0.77 -0.78 2.57 2.07 -0.33 -2.10 116.25 118.80 2h8d h VAL 109 Ca 0.11 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 2h8d h VAL 109 Cb 0.15 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2h8d h VAL 109 CO -0.01 0.00 0.34 0.40 0.02 0.00 0.00 177.57 178.32 2h8d h ILE 110 N -0.13 1.25 -0.89 4.57 2.04 -0.76 -1.51 117.51 122.08 2h8d h ILE 110 Ca 0.05 -0.77 0.08 0.00 1.00 0.00 0.00 64.86 65.22 2h8d h ILE 110 Cb 0.19 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 2h8d h ILE 110 CO -0.12 0.32 0.58 -1.28 0.00 0.00 0.00 178.15 177.65 2h8d h SER 111 N 1.13 0.84 0.08 1.72 0.87 -0.80 0.47 113.55 117.85 2h8d h SER 111 Ca 0.27 0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.66 2h8d h SER 111 Cb 0.18 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2h8d h SER 111 CO -0.03 0.51 -0.66 0.71 -0.53 0.00 0.00 176.83 176.84 2h8d h THR 112 N 0.94 1.33 0.02 2.23 1.35 -0.62 -3.08 112.91 115.08 2h8d h THR 112 Ca 0.40 -1.96 -0.30 0.00 -0.55 0.00 0.00 66.41 64.01 2h8d h THR 112 Cb 0.32 1.93 -0.04 0.00 -1.73 0.00 0.00 68.15 68.63 2h8d h THR 112 CO -0.16 0.60 -1.72 0.24 -0.25 0.00 0.00 175.52 174.23 2h8d h MET 113 N 0.40 0.04 -2.08 4.72 2.07 -0.87 -3.41 114.93 115.79 2h8d h MET 113 Ca -0.02 -0.07 -0.51 0.00 -2.07 0.00 0.00 59.70 57.04 2h8d h MET 113 Cb 1.23 0.03 -0.41 0.00 -1.87 0.00 0.00 31.60 30.58 2h8d h MET 113 CO 0.12 0.61 -1.05 1.19 1.07 0.00 0.00 176.91 178.85 2h8d n PHE 114 N -3.12 1.20 0.01 -0.22 3.72 0.16 -4.95 117.46 114.26 2h8d n PHE 114 Ca -0.18 -3.87 0.01 0.00 -0.05 0.00 0.00 57.45 53.36 2h8d n PHE 114 Cb 1.05 -0.44 0.35 0.00 -0.94 0.00 0.00 39.48 39.50 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 3.00 0.51 -0.51 -1.08 0.13 -1.70 -0.39 132.00 131.94 2h8d h PRO 115 Ca 0.11 -0.08 -0.13 0.00 -0.87 0.00 0.00 66.00 65.03 2h8d h PRO 115 Cb 0.85 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 2h8d h PRO 115 CO 0.58 0.47 -0.17 0.87 -0.23 0.00 0.00 178.00 179.53 2h8d h LYS 116 N 0.50 1.03 0.02 0.86 1.57 -1.92 -3.27 116.57 115.35 2h8d h LYS 116 Ca 0.12 -0.41 -0.21 0.00 -1.87 0.00 0.00 60.65 58.27 2h8d h LYS 116 Cb 0.21 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2h8d h LYS 116 CO -0.00 1.10 -0.93 0.93 -0.57 0.00 0.00 179.45 179.98 2h8d h GLU 117 N 0.89 0.21 -3.50 3.15 3.07 -1.85 -3.36 114.58 113.20 2h8d h GLU 117 Ca 0.12 -0.25 -0.71 0.00 -0.50 0.00 0.00 59.36 58.02 2h8d h GLU 117 Cb 0.75 0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.69 2h8d h GLU 117 CO 0.06 1.00 3.06 0.34 -1.40 0.00 0.00 179.01 182.07 2h8d n PHE 118 N -3.63 3.03 -1.11 4.33 7.35 -0.20 -4.78 117.46 122.44 2h8d n PHE 118 Ca -0.04 -2.96 -0.29 0.00 -0.76 0.00 0.00 57.45 53.40 2h8d n PHE 118 Cb 0.84 -2.36 0.17 0.00 0.35 0.00 0.00 39.48 38.48 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 1.96 2.31 0.41 -2.13 -4.23 -1.26 -4.76 115.64 107.95 2h8d s THR 119 Ca 0.52 0.10 0.10 0.00 -1.18 0.00 0.00 61.69 61.23 2h8d s THR 119 Cb 0.15 -2.53 0.30 0.00 1.34 0.00 0.00 72.50 71.75 2h8d s THR 119 CO -0.07 -0.13 2.01 -0.65 -0.54 0.00 0.00 174.62 175.24 2h8d h PRO 120 N -1.83 0.50 -0.17 3.99 0.11 -1.97 0.26 132.00 132.89 2h8d h PRO 120 Ca -0.53 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.36 2h8d h PRO 120 Cb 1.31 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2h8d h PRO 120 CO 0.55 0.33 -0.67 0.93 -0.21 0.00 0.00 178.00 178.94 2h8d h GLU 121 N 0.52 0.65 -0.78 1.05 3.07 -1.96 -0.48 114.58 116.65 2h8d h GLU 121 Ca 0.23 -0.48 -0.02 0.00 -0.50 0.00 0.00 59.36 58.59 2h8d h GLU 121 Cb 0.26 0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.21 2h8d h GLU 121 CO -0.06 1.10 0.42 0.00 -1.40 0.00 0.00 179.01 179.06 2h8d h ALA 122 N 0.78 1.00 -0.35 3.43 0.00 -1.71 -2.89 119.26 119.53 2h8d h ALA 122 Ca -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2h8d h ALA 122 Cb 1.26 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2h8d h ALA 122 CO 0.13 0.53 0.11 1.25 0.00 0.00 0.00 179.25 181.27 2h8d h HIS 123 N 1.09 0.55 -0.64 0.00 6.17 -0.55 0.11 115.15 121.88 2h8d h HIS 123 Ca 0.27 -0.05 -0.05 0.00 0.71 0.00 0.00 60.37 61.25 2h8d h HIS 123 Cb 0.05 -0.16 -0.03 0.00 2.52 0.00 0.00 27.41 29.79 2h8d h HIS 123 CO 0.00 0.54 0.20 -0.24 0.71 0.00 0.00 177.93 179.14 2h8d h VAL 124 N 0.41 1.25 -0.26 5.26 3.04 -1.05 0.04 116.25 124.94 2h8d h VAL 124 Ca 0.11 -0.84 -0.12 0.00 -1.01 0.00 0.00 66.70 64.84 2h8d h VAL 124 Cb 0.24 0.59 -0.00 0.00 -2.01 0.00 0.00 31.29 30.11 2h8d h VAL 124 CO -0.00 0.32 -0.31 0.28 -1.01 0.00 0.00 177.57 176.84 2h8d h SER 125 N 0.91 0.72 0.33 3.17 0.02 -1.27 -2.08 113.55 115.34 2h8d h SER 125 Ca 0.21 -0.49 -0.07 0.00 -0.84 0.00 0.00 61.79 60.59 2h8d h SER 125 Cb 0.29 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2h8d h SER 125 CO -0.01 1.07 -0.32 0.25 -1.14 0.00 0.00 176.83 176.69 2h8d h LEU 126 N 0.39 0.00 -0.30 5.07 5.85 -0.52 -0.23 115.31 125.57 2h8d h LEU 126 Ca 0.03 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2h8d h LEU 126 Cb 0.89 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2h8d h LEU 126 CO 0.08 0.32 -0.06 -0.78 -0.34 0.00 0.00 178.44 177.66 2h8d h ASP 127 N 0.00 0.57 -0.92 1.25 3.58 -0.86 0.30 116.42 120.34 2h8d h ASP 127 Ca -0.00 -0.35 0.02 0.00 0.42 0.00 0.00 57.03 57.11 2h8d h ASP 127 Cb 0.57 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.41 2h8d h ASP 127 CO 0.04 0.79 0.61 0.11 -2.88 0.00 0.00 179.24 177.91 2h8d h LYS 128 N 0.34 1.18 -0.03 0.28 1.57 -1.04 0.25 116.57 119.13 2h8d h LYS 128 Ca 0.08 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2h8d h LYS 128 Cb 0.53 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2h8d h LYS 128 CO 0.03 0.78 0.02 0.35 -0.57 0.00 0.00 179.45 180.06 2h8d h PHE 129 N 1.22 0.04 -0.21 -1.35 3.57 -0.59 -1.66 116.94 117.96 2h8d h PHE 129 Ca 0.35 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.78 2h8d h PHE 129 Cb -0.09 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 2h8d h PHE 129 CO -0.01 0.13 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.94 2h8d h LEU 130 N -0.05 0.35 -0.93 0.59 3.38 0.08 -0.27 115.31 118.45 2h8d h LEU 130 Ca 0.01 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 2h8d h LEU 130 Cb 0.10 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2h8d h LEU 130 CO -0.00 0.56 -0.10 0.28 0.09 0.00 0.00 178.44 179.27 2h8d h SER 131 N 0.33 0.65 -0.64 -0.43 0.02 -0.80 -0.73 113.55 111.96 2h8d h SER 131 Ca 0.06 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 2h8d h SER 131 Cb 0.52 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 2h8d h SER 131 CO 0.03 0.79 0.13 1.23 -1.14 0.00 0.00 176.83 177.87 2h8d h GLY 132 N 0.96 1.13 0.99 -3.77 0.00 -0.31 -0.73 103.07 101.33 2h8d h GLY 132 Ca 0.11 -0.73 0.01 0.00 0.00 0.00 0.00 47.33 46.72 2h8d h GLY 132 CO 0.03 0.68 0.34 -2.08 0.00 0.00 0.00 176.54 175.51 2h8d h VAL 133 N 0.96 1.12 -0.55 4.60 2.07 -0.73 0.87 116.25 124.60 2h8d h VAL 133 Ca 0.20 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.50 2h8d h VAL 133 Cb 0.40 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2h8d h VAL 133 CO 0.01 0.13 0.35 0.00 0.02 0.00 0.00 177.57 178.08 2h8d h ALA 134 N 1.19 0.71 -0.51 1.67 0.00 -0.91 -0.20 119.26 121.22 2h8d h ALA 134 Ca 0.19 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2h8d h ALA 134 Cb -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2h8d h ALA 134 CO -0.05 0.10 0.12 1.25 0.00 0.00 0.00 179.25 180.67 2h8d h LEU 135 N 0.71 0.77 -0.78 0.00 5.85 -0.82 -2.46 115.31 118.59 2h8d h LEU 135 Ca 0.21 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2h8d h LEU 135 Cb -0.04 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 2h8d h LEU 135 CO -0.07 0.81 0.42 0.00 -0.34 0.00 0.00 178.44 179.26 2h8d h ALA 136 N 0.99 1.00 0.00 1.25 0.00 -0.43 -2.10 119.26 119.98 2h8d h ALA 136 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2h8d h ALA 136 Cb 0.34 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2h8d h ALA 136 CO 0.00 0.52 -0.05 -0.07 0.00 0.00 0.00 179.25 179.65 2h8d h LEU 137 N 1.08 0.00 -0.73 0.00 3.38 -0.82 -1.59 115.31 116.62 2h8d h LEU 137 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2h8d h LEU 137 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2h8d h LEU 137 CO -0.04 0.05 -0.00 0.00 0.09 0.00 0.00 178.44 178.54 2h8d n ALA 138 N -2.36 2.60 -0.36 1.53 0.00 -0.81 -4.38 120.51 116.74 2h8d n ALA 138 Ca -0.03 -0.39 0.08 0.00 0.00 0.00 0.00 53.44 53.11 2h8d n ALA 138 Cb 0.14 -1.25 0.25 0.00 0.00 0.00 0.00 19.45 18.59 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 1.79 0.91 -0.16 0.00 4.57 -1.07 -0.79 114.58 119.84 2h8d h GLU 139 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2h8d h GLU 139 Cb 0.38 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2h8d h GLU 139 CO 0.00 0.60 0.00 0.54 -1.18 0.00 0.00 179.01 178.97 2h8d n ARG 140 N -4.66 1.74 0.01 1.92 5.12 -1.26 -4.50 116.66 115.03 2h8d n ARG 140 Ca 0.20 -1.11 -0.12 0.00 -1.93 0.00 0.00 57.85 54.89 2h8d n ARG 140 Cb 0.39 -1.40 -0.08 0.00 -1.16 0.00 0.00 32.46 30.21 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 2.27 0.04 0.00 -1.55 -1.99 -1.42 -3.47 116.97 110.84 2h8d h TYR 141 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2h8d h TYR 141 Cb 0.50 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.21 2h8d h TYR 141 CO 0.10 0.24 0.00 2.89 -0.00 0.00 0.00 178.16 181.39