#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h8d s GLU 2 N 0.00 0.33 0.37 1.45 -1.05 -1.26 -5.06 118.70 113.48 2h8d s GLU 2 Ca 0.00 -0.41 -0.26 0.00 -0.15 0.00 0.00 54.97 54.15 2h8d s GLU 2 Cb 0.00 -1.73 -0.09 0.00 -0.44 0.00 0.00 34.13 31.87 2h8d s GLU 2 CO 0.00 -0.80 1.10 -1.58 0.95 0.00 0.00 175.26 174.93 2h8d s TRP 3 N 1.99 3.29 0.47 4.83 0.52 -1.26 -5.04 118.94 123.73 2h8d s TRP 3 Ca 0.04 1.63 -0.05 0.00 0.02 0.00 0.00 56.10 57.74 2h8d s TRP 3 Cb -0.16 -3.26 -0.04 0.00 -1.15 0.00 0.00 33.47 28.86 2h8d s TRP 3 CO -0.19 -0.83 0.77 0.95 0.02 0.00 0.00 176.95 177.67 2h8d s THR 4 N -1.45 4.92 0.18 2.01 -4.23 -1.26 -4.94 115.64 110.88 2h8d s THR 4 Ca 0.54 0.16 -0.13 0.00 -1.18 0.00 0.00 61.69 61.08 2h8d s THR 4 Cb -0.27 -3.86 0.08 0.00 1.34 0.00 0.00 72.50 69.78 2h8d s THR 4 CO 0.35 -0.81 1.76 0.44 -0.54 0.00 0.00 174.62 175.82 2h8d h ASP 5 N 0.31 0.25 -0.95 3.99 5.19 -1.99 -1.25 116.42 121.97 2h8d h ASP 5 Ca -0.47 0.04 0.05 0.00 -0.62 0.00 0.00 57.03 56.04 2h8d h ASP 5 Cb 1.20 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.66 2h8d h ASP 5 CO 0.62 0.18 0.61 0.50 -3.12 0.00 0.00 179.24 178.03 2h8d h LYS 6 N 0.40 1.10 -0.28 3.56 1.63 -1.99 0.12 116.57 121.12 2h8d h LYS 6 Ca 0.22 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 2h8d h LYS 6 Cb 0.19 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 2h8d h LYS 6 CO -0.20 0.73 0.13 0.93 -3.45 0.00 0.00 179.45 177.59 2h8d h GLU 7 N 1.13 0.41 -0.70 1.90 5.08 -1.78 0.56 114.58 121.18 2h8d h GLU 7 Ca 0.40 -0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.81 2h8d h GLU 7 Cb 0.11 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 2h8d h GLU 7 CO -0.16 0.41 0.29 0.00 -1.00 0.00 0.00 179.01 178.56 2h8d h ARG 8 N 0.31 0.46 -0.02 2.33 3.08 -0.60 -0.99 114.38 118.95 2h8d h ARG 8 Ca 0.10 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2h8d h ARG 8 Cb 0.14 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2h8d h ARG 8 CO -0.01 0.30 -0.00 1.03 -1.07 0.00 0.00 179.97 180.22 2h8d h SER 9 N 0.47 -0.02 -0.14 7.04 0.87 -0.25 -0.62 113.55 120.90 2h8d h SER 9 Ca 0.37 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.95 2h8d h SER 9 Cb 0.50 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2h8d h SER 9 CO -0.35 -0.00 0.05 0.40 -0.53 0.00 0.00 176.83 176.40 2h8d h ILE 10 N 0.00 0.98 -0.84 2.23 2.04 -0.02 -0.74 117.51 121.16 2h8d h ILE 10 Ca 0.01 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.86 2h8d h ILE 10 Cb 0.01 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 2h8d h ILE 10 CO -0.02 0.02 0.54 0.40 0.00 0.00 0.00 178.15 179.09 2h8d h ILE 11 N 0.13 1.12 -0.59 -0.67 1.08 -1.05 -0.21 117.51 117.32 2h8d h ILE 11 Ca 0.06 -0.36 -0.08 0.00 -0.39 0.00 0.00 64.86 64.10 2h8d h ILE 11 Cb 0.02 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 33.74 2h8d h ILE 11 CO -0.05 0.19 0.06 -1.28 -0.69 0.00 0.00 178.15 176.38 2h8d h SER 12 N 1.04 0.93 0.63 1.72 0.87 -0.64 -0.84 113.55 117.26 2h8d h SER 12 Ca 0.34 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 2h8d h SER 12 Cb 0.03 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2h8d h SER 12 CO -0.12 0.95 -0.30 -0.78 -0.53 0.00 0.00 176.83 176.05 2h8d h ASP 13 N 0.91 -0.72 -0.63 6.23 3.58 -0.65 0.10 116.42 125.25 2h8d h ASP 13 Ca 0.18 -0.01 0.12 0.00 0.42 0.00 0.00 57.03 57.74 2h8d h ASP 13 Cb 0.45 0.19 -0.09 0.00 1.72 0.00 0.00 39.33 41.59 2h8d h ASP 13 CO 0.02 -0.44 0.14 0.40 -2.88 0.00 0.00 179.24 176.47 2h8d h ILE 14 N -0.95 0.62 0.00 2.25 2.04 -0.92 -1.66 117.51 118.90 2h8d h ILE 14 Ca -0.09 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.60 2h8d h ILE 14 Cb 0.68 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2h8d h ILE 14 CO 0.14 0.05 -0.40 -0.26 0.00 0.00 0.00 178.15 177.69 2h8d h PHE 15 N 0.27 0.00 -0.56 1.37 0.04 -0.95 -1.61 116.94 115.51 2h8d h PHE 15 Ca 0.33 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.05 2h8d h PHE 15 Cb 0.51 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.63 2h8d h PHE 15 CO -0.25 0.40 0.12 0.77 -0.60 0.00 0.00 178.31 178.75 2h8d h SER 16 N 0.00 0.82 -0.01 2.17 0.02 0.17 -3.02 113.55 113.69 2h8d h SER 16 Ca -0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2h8d h SER 16 Cb 1.02 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2h8d h SER 16 CO 0.05 0.81 -0.05 1.41 -1.14 0.00 0.00 176.83 177.91 2h8d n HIS 17 N -4.26 0.00 -1.62 3.45 8.25 -1.02 -4.97 115.22 115.05 2h8d n HIS 17 Ca 0.04 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.06 2h8d n HIS 17 Cb 0.24 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.31 2h8d n HIS 17 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 2h8d n MET 18 N 0.78 2.29 -2.68 -0.41 0.00 -0.63 -4.90 117.12 111.57 2h8d n MET 18 Ca 0.15 0.76 -0.42 0.00 0.00 0.00 0.00 57.70 58.19 2h8d n MET 18 Cb 0.50 -3.02 -0.03 0.00 0.00 0.00 0.00 33.22 30.67 2h8d n MET 18 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2h8d s ASP 19 N 6.18 6.34 0.25 6.12 -1.08 -1.26 -4.84 116.67 128.38 2h8d s ASP 19 Ca 0.96 -1.14 0.05 0.00 -0.52 0.00 0.00 52.55 51.90 2h8d s ASP 19 Cb -0.46 -2.51 0.29 0.00 -1.46 0.00 0.00 42.92 38.79 2h8d s ASP 19 CO 0.41 -1.52 1.59 1.88 0.52 0.00 0.00 175.17 178.04 2h8d h TYR 20 N 9.66 0.28 0.00 -5.34 -1.99 -1.98 -0.48 116.97 117.12 2h8d h TYR 20 Ca -0.06 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.57 2h8d h TYR 20 Cb 1.04 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.72 2h8d h TYR 20 CO 1.15 0.74 0.00 -0.44 -0.00 0.00 0.00 178.16 179.61 2h8d h ASP 21 N 0.17 0.00 0.00 3.88 3.32 -1.96 -1.72 116.42 120.11 2h8d h ASP 21 Ca -0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 2h8d h ASP 21 Cb 1.06 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.55 2h8d h ASP 21 CO 0.09 0.00 -2.13 -0.67 -1.72 0.00 0.00 179.24 174.80 2h8d n ASP 22 N -2.36 1.93 -0.06 6.45 2.03 -0.87 -4.48 116.55 119.20 2h8d n ASP 22 Ca 0.01 0.36 -0.12 0.00 0.52 0.00 0.00 54.79 55.56 2h8d n ASP 22 Cb 0.21 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 2h8d n ASP 22 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2h8d h ILE 23 N -1.00 1.29 0.59 5.18 1.08 -1.14 -3.20 117.51 120.31 2h8d h ILE 23 Ca -0.57 -1.71 -0.02 0.00 -0.39 0.00 0.00 64.86 62.17 2h8d h ILE 23 Cb 1.49 1.62 -0.02 0.00 -3.07 0.00 0.00 36.82 36.84 2h8d h ILE 23 CO -0.35 0.55 -0.49 1.23 -0.69 0.00 0.00 178.15 178.40 2h8d h GLY 24 N 0.85 -1.26 0.91 5.37 0.00 -1.53 0.10 103.07 107.50 2h8d h GLY 24 Ca 0.02 0.57 0.03 0.00 0.00 0.00 0.00 47.33 47.95 2h8d h GLY 24 CO 0.11 -0.40 0.56 -2.55 0.00 0.00 0.00 176.54 174.26 2h8d h PRO 25 N -1.06 1.06 -0.12 4.80 0.11 -1.71 -2.25 132.00 132.82 2h8d h PRO 25 Ca -0.07 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 2h8d h PRO 25 Cb 0.90 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 2h8d h PRO 25 CO -0.01 0.70 0.07 0.87 -0.21 0.00 0.00 178.00 179.43 2h8d h LYS 26 N 1.10 0.16 -0.41 1.05 1.57 -1.51 -0.02 116.57 118.51 2h8d h LYS 26 Ca 0.34 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 59.04 2h8d h LYS 26 Cb -0.03 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2h8d h LYS 26 CO -0.10 0.17 0.03 0.00 -0.57 0.00 0.00 179.45 178.98 2h8d h ALA 27 N 0.99 0.55 -0.19 3.86 0.00 -0.71 0.26 119.26 124.02 2h8d h ALA 27 Ca 0.04 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 2h8d h ALA 27 Cb 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2h8d h ALA 27 CO -0.01 0.29 -0.66 1.25 0.00 0.00 0.00 179.25 180.13 2h8d h LEU 28 N 0.54 0.81 -0.30 0.00 5.85 -1.32 -0.77 115.31 120.11 2h8d h LEU 28 Ca 0.12 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2h8d h LEU 28 Cb 0.43 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2h8d h LEU 28 CO 0.01 1.25 0.20 0.28 -0.34 0.00 0.00 178.44 179.84 2h8d h SER 29 N 0.51 0.34 -0.68 1.25 0.02 -0.93 0.15 113.55 114.21 2h8d h SER 29 Ca -0.02 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2h8d h SER 29 Cb 1.26 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 2h8d h SER 29 CO 0.13 0.24 0.44 -0.09 -1.14 0.00 0.00 176.83 176.42 2h8d h ARG 30 N 0.40 0.88 -0.41 3.45 2.43 -0.82 -0.71 114.38 119.60 2h8d h ARG 30 Ca 0.11 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2h8d h ARG 30 Cb -0.04 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 2h8d h ARG 30 CO -0.03 0.58 0.26 0.00 -1.51 0.00 0.00 179.97 179.27 2h8d h LEU 32 N 0.52 0.00 0.09 0.00 3.38 -0.30 0.17 115.31 119.17 2h8d h LEU 32 Ca 0.16 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.77 2h8d h LEU 32 Cb -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2h8d h LEU 32 CO -0.05 0.06 -2.03 -0.38 0.09 0.00 0.00 178.44 176.13 2h8d n ILE 33 N -4.17 1.72 0.06 1.22 5.41 -0.34 -3.34 119.36 119.93 2h8d n ILE 33 Ca -0.03 -0.67 -0.05 0.00 1.00 0.00 0.00 62.75 63.00 2h8d n ILE 33 Cb 0.15 -1.59 -0.10 0.00 -0.71 0.00 0.00 39.64 37.40 2h8d n ILE 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2h8d h VAL 34 N 0.05 1.34 -2.11 1.39 2.07 -0.29 -3.38 116.25 115.34 2h8d h VAL 34 Ca -0.43 -3.00 -0.55 0.00 0.82 0.00 0.00 66.70 63.54 2h8d h VAL 34 Cb 2.02 2.65 -0.41 0.00 -1.52 0.00 0.00 31.29 34.04 2h8d h VAL 34 CO 0.07 0.77 -0.92 -1.22 0.02 0.00 0.00 177.57 176.28 2h8d n TYR 35 N -3.25 1.67 0.31 1.57 4.01 0.58 -4.98 117.16 117.07 2h8d n TYR 35 Ca -0.03 -3.86 0.20 0.00 -0.16 0.00 0.00 57.90 54.04 2h8d n TYR 35 Cb 0.92 -0.45 1.04 0.00 -0.31 0.00 0.00 39.34 40.54 2h8d n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2h8d h PRO 36 N 3.48 0.00 0.00 -0.72 0.13 -1.71 0.20 132.00 133.38 2h8d h PRO 36 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2h8d h PRO 36 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2h8d h PRO 36 CO 0.63 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.51 2h8d h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.59 115.95 114.10 2h8d h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2h8d h TRP 37 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.36 2h8d h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 2h8d n THR 38 N -2.45 0.77 0.78 0.12 -2.24 0.69 -2.40 114.28 109.54 2h8d n THR 38 Ca 0.00 0.18 0.08 0.00 -2.27 0.00 0.00 64.05 62.05 2h8d n THR 38 Cb 0.18 -0.90 0.41 0.00 -2.10 0.00 0.00 70.33 67.91 2h8d n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h8d n GLN 39 N -1.59 0.25 -0.28 -0.78 6.02 -0.60 -3.57 117.38 116.83 2h8d n GLN 39 Ca 0.04 0.12 0.23 0.00 -0.01 0.00 0.00 57.00 57.39 2h8d n GLN 39 Cb 0.22 -1.50 0.56 0.00 1.02 0.00 0.00 30.24 30.53 2h8d n GLN 39 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2h8d h ARG 40 N 0.00 0.31 -0.00 -1.09 2.43 -1.69 -1.23 114.38 113.11 2h8d h ARG 40 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2h8d h ARG 40 Cb 0.14 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2h8d h ARG 40 CO 0.00 0.20 -0.37 0.72 -1.51 0.00 0.00 179.97 179.01 2h8d n HIS 41 N -4.50 0.00 -1.64 2.20 8.25 -1.23 -4.38 115.22 113.91 2h8d n HIS 41 Ca 0.23 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.61 2h8d n HIS 41 Cb 0.87 -0.22 0.15 0.00 1.12 0.00 0.00 29.99 31.91 2h8d n HIS 41 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2h8d n PHE 42 N -1.18 1.26 0.29 4.41 3.72 -0.46 -4.67 117.46 120.82 2h8d n PHE 42 Ca 0.08 -1.81 0.14 0.00 -0.05 0.00 0.00 57.45 55.81 2h8d n PHE 42 Cb 0.34 -0.43 0.87 0.00 -0.94 0.00 0.00 39.48 39.31 2h8d n PHE 42 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2h8d h SER 43 N 1.34 0.00 -0.36 4.37 4.64 -1.77 -0.53 113.55 121.25 2h8d h SER 43 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2h8d h SER 43 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2h8d h SER 43 CO 0.42 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 2h8d n GLY 44 N -1.33 1.04 0.36 -0.77 0.00 -1.26 -3.78 105.19 99.45 2h8d n GLY 44 Ca -0.03 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.70 2h8d n GLY 44 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2h8d n PHE 45 N 0.55 0.00 -1.60 1.61 3.01 -0.21 -5.05 117.46 115.77 2h8d n PHE 45 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 2h8d n PHE 45 Cb 0.40 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 2h8d n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2h8d n GLY 46 N 1.32 0.00 3.68 1.37 0.00 -1.25 -4.66 105.19 105.65 2h8d n GLY 46 Ca 0.13 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 2h8d n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2h8d s ASN 47 N -4.00 6.94 -0.05 1.61 0.02 -1.26 -4.88 114.94 113.31 2h8d s ASN 47 Ca 0.00 1.95 0.07 0.00 -1.02 0.00 0.00 52.86 53.86 2h8d s ASN 47 Cb 0.00 -2.56 0.11 0.00 0.02 0.00 0.00 41.25 38.82 2h8d s ASN 47 CO 0.00 -0.68 1.05 0.18 0.02 0.00 0.00 177.10 177.67 2h8d n LEU 48 N 5.50 0.89 0.29 0.60 4.77 -1.26 -4.30 117.00 123.49 2h8d n LEU 48 Ca 0.12 -1.77 0.17 0.00 -0.03 0.00 0.00 56.01 54.50 2h8d n LEU 48 Cb 0.45 -0.16 0.86 0.00 -2.33 0.00 0.00 43.42 42.24 2h8d n LEU 48 CO 0.57 0.42 1.04 0.10 -1.33 0.00 0.00 177.39 178.19 2h8d h TYR 49 N 0.00 0.00 -3.46 -1.77 -0.00 -1.93 -3.44 116.97 106.37 2h8d h TYR 49 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 2h8d h TYR 49 Cb 1.24 0.00 -0.08 0.00 0.00 0.00 0.00 36.73 37.89 2h8d h TYR 49 CO 0.06 0.06 -0.01 0.54 -0.00 0.00 0.00 178.16 178.81 2h8d s ASN 50 N -5.79 -0.13 0.28 0.10 2.20 -1.26 -5.01 114.94 105.33 2h8d s ASN 50 Ca -0.03 -0.85 0.00 0.00 -0.94 0.00 0.00 52.86 51.05 2h8d s ASN 50 Cb 0.12 0.63 0.65 0.00 -2.00 0.00 0.00 41.25 40.66 2h8d s ASN 50 CO 0.53 -1.21 1.65 0.00 -2.94 0.00 0.00 177.10 175.13 2h8d h ALA 51 N 2.17 1.20 -0.28 3.54 0.00 -1.99 0.46 119.26 124.36 2h8d h ALA 51 Ca -0.24 0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2h8d h ALA 51 Cb 1.25 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2h8d h ALA 51 CO 0.32 -0.43 -0.34 0.93 0.00 0.00 0.00 179.25 179.72 2h8d h GLU 52 N 0.22 0.62 -0.57 0.00 4.39 -1.96 -0.34 114.58 116.94 2h8d h GLU 52 Ca 0.52 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.86 2h8d h GLU 52 Cb 1.02 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.64 2h8d h GLU 52 CO -0.63 0.88 0.06 0.00 -1.16 0.00 0.00 179.01 178.16 2h8d h ALA 53 N 1.10 0.76 -0.19 3.43 0.00 -1.26 -1.97 119.26 121.14 2h8d h ALA 53 Ca 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2h8d h ALA 53 Cb 0.84 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2h8d h ALA 53 CO 0.07 0.54 0.06 0.82 0.00 0.00 0.00 179.25 180.74 2h8d h ILE 54 N 0.86 1.18 -0.05 0.00 2.04 -1.02 -0.92 117.51 119.59 2h8d h ILE 54 Ca 0.17 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 2h8d h ILE 54 Cb 0.46 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2h8d h ILE 54 CO 0.02 0.17 -0.23 0.40 0.00 0.00 0.00 178.15 178.51 2h8d h ILE 55 N 0.13 1.19 -0.23 -0.67 2.04 -1.04 -1.53 117.51 117.40 2h8d h ILE 55 Ca 0.06 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.02 2h8d h ILE 55 Cb 0.21 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2h8d h ILE 55 CO -0.00 0.26 0.00 0.61 0.00 0.00 0.00 178.15 179.02 2h8d n GLY 56 N -0.78 0.46 3.54 5.37 0.00 -0.75 -4.87 105.19 108.16 2h8d n GLY 56 Ca -0.02 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 2h8d n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2h8d s ASN 57 N -1.39 6.40 0.49 1.61 3.84 -0.39 -4.91 114.94 120.59 2h8d s ASN 57 Ca 0.30 -0.14 0.22 0.00 0.21 0.00 0.00 52.86 53.45 2h8d s ASN 57 Cb 0.16 -2.37 1.27 0.00 -0.55 0.00 0.00 41.25 39.76 2h8d s ASN 57 CO 0.23 -0.87 2.03 0.00 -2.79 0.00 0.00 177.10 175.70 2h8d h ALA 58 N 8.93 1.42 -0.24 1.71 0.00 -1.89 -1.63 119.26 127.56 2h8d h ALA 58 Ca -0.25 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 2h8d h ALA 58 Cb 1.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2h8d h ALA 58 CO 0.94 0.19 -0.49 -0.91 0.00 0.00 0.00 179.25 178.98 2h8d h ASN 59 N 0.00 0.70 -0.39 0.00 2.35 -1.91 -2.25 115.58 114.09 2h8d h ASN 59 Ca -0.00 -0.35 -0.11 0.00 -0.55 0.00 0.00 56.30 55.28 2h8d h ASN 59 Cb 0.35 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 2h8d h ASN 59 CO 0.02 1.07 -0.17 0.58 -1.65 0.00 0.00 177.43 177.28 2h8d h VAL 60 N 0.51 1.27 0.24 2.81 2.07 -1.68 -1.79 116.25 119.68 2h8d h VAL 60 Ca 0.02 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.26 2h8d h VAL 60 Cb 1.04 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 2h8d h VAL 60 CO 0.10 0.44 -0.41 0.00 0.02 0.00 0.00 177.57 177.72 2h8d h ALA 61 N 1.04 -0.79 -0.99 1.67 0.00 -1.15 0.29 119.26 119.33 2h8d h ALA 61 Ca 0.11 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2h8d h ALA 61 Cb 0.70 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 2h8d h ALA 61 CO 0.05 -1.00 0.65 0.00 0.00 0.00 0.00 179.25 178.95 2h8d h ALA 62 N -0.28 1.27 -0.28 0.00 0.00 -1.38 -1.43 119.26 117.16 2h8d h ALA 62 Ca -0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2h8d h ALA 62 Cb 0.70 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2h8d h ALA 62 CO -0.16 0.61 -0.24 1.25 0.00 0.00 0.00 179.25 180.70 2h8d h HIS 63 N 1.31 0.61 -0.62 0.00 2.76 -0.97 -1.96 115.15 116.27 2h8d h HIS 63 Ca 0.37 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 2h8d h HIS 63 Cb -0.10 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.68 2h8d h HIS 63 CO -0.00 0.74 0.33 0.78 -1.30 0.00 0.00 177.93 178.48 2h8d h GLY 64 N 1.01 0.93 1.01 5.26 0.00 0.59 -0.94 103.07 110.93 2h8d h GLY 64 Ca 0.07 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2h8d h GLY 64 CO 0.05 0.41 0.42 -2.22 0.00 0.00 0.00 176.54 175.21 2h8d h ILE 65 N 0.84 1.23 0.09 2.60 2.04 -1.06 -1.23 117.51 122.03 2h8d h ILE 65 Ca 0.22 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 2h8d h ILE 65 Cb 0.05 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2h8d h ILE 65 CO -0.03 0.26 -0.05 0.50 0.00 0.00 0.00 178.15 178.83 2h8d h LYS 66 N 1.07 -0.12 -0.72 2.37 3.64 -1.01 0.25 116.57 122.04 2h8d h LYS 66 Ca 0.27 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.73 2h8d h LYS 66 Cb 0.03 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 2h8d h LYS 66 CO -0.04 -0.08 0.39 0.28 -2.27 0.00 0.00 179.45 177.73 2h8d h VAL 67 N -0.13 0.94 -0.22 2.00 2.07 -0.92 0.13 116.25 120.11 2h8d h VAL 67 Ca -0.01 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2h8d h VAL 67 Cb 0.10 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2h8d h VAL 67 CO 0.02 0.13 0.08 0.25 0.02 0.00 0.00 177.57 178.07 2h8d h LEU 68 N 0.70 0.31 -2.68 2.57 5.85 -0.80 -1.24 115.31 120.02 2h8d h LEU 68 Ca 0.33 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2h8d h LEU 68 Cb 0.25 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 2h8d h LEU 68 CO -0.21 0.40 -0.00 0.45 -0.34 0.00 0.00 178.44 178.74 2h8d h HIS 69 N 0.20 0.00 0.00 1.25 3.86 -0.72 -0.84 115.15 118.90 2h8d h HIS 69 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2h8d h HIS 69 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 2h8d h HIS 69 CO -0.01 0.00 0.00 0.78 0.86 0.00 0.00 177.93 179.57 2h8d h GLY 70 N 0.37 0.00 1.94 2.45 0.00 0.30 -1.70 103.07 106.42 2h8d h GLY 70 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2h8d h GLY 70 CO 0.00 0.00 -0.05 1.41 0.00 0.00 0.00 176.54 177.90 2h8d h LEU 71 N 0.00 0.00 -0.43 3.11 3.38 -1.16 -3.35 115.31 116.85 2h8d h LEU 71 Ca 0.00 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2h8d h LEU 71 Cb 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2h8d h LEU 71 CO 0.00 0.01 0.22 0.44 0.09 0.00 0.00 178.44 179.20 2h8d h ASP 72 N 0.00 0.33 -0.26 -0.43 3.32 -1.45 -0.97 116.42 116.96 2h8d h ASP 72 Ca 0.00 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.14 2h8d h ASP 72 Cb 0.80 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 2h8d h ASP 72 CO 0.00 0.23 0.21 0.08 -1.72 0.00 0.00 179.24 178.04 2h8d h ARG 73 N 0.44 0.00 -0.02 3.56 0.11 -1.76 -0.76 114.38 115.95 2h8d h ARG 73 Ca 0.18 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 60.05 2h8d h ARG 73 Cb 0.08 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.16 2h8d h ARG 73 CO -0.12 0.00 -0.87 0.78 0.10 0.00 0.00 179.97 179.86 2h8d h GLY 74 N 0.00 0.41 1.46 0.08 0.00 -1.40 -2.91 103.07 100.71 2h8d h GLY 74 Ca 0.12 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 2h8d h GLY 74 CO -0.00 0.61 0.13 -2.08 0.00 0.00 0.00 176.54 175.19 2h8d h VAL 75 N 0.22 1.20 -0.02 4.60 2.07 -0.90 -1.67 116.25 121.76 2h8d h VAL 75 Ca -0.06 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2h8d h VAL 75 Cb 1.49 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2h8d h VAL 75 CO 0.15 0.26 0.00 0.29 0.02 0.00 0.00 177.57 178.28 2h8d n LYS 76 N -4.31 1.08 -2.69 1.57 5.02 -0.81 -4.03 118.16 113.99 2h8d n LYS 76 Ca 0.03 -0.11 -0.07 0.00 -2.02 0.00 0.00 58.31 56.14 2h8d n LYS 76 Cb 0.20 -1.31 0.08 0.00 -0.02 0.00 0.00 35.03 33.98 2h8d n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2h8d n ASN 77 N -0.68 -0.44 0.18 4.39 3.02 -0.65 -5.01 115.26 116.07 2h8d n ASN 77 Ca 0.15 -2.52 0.13 0.00 -0.03 0.00 0.00 54.58 52.30 2h8d n ASN 77 Cb 0.09 0.34 0.62 0.00 -0.61 0.00 0.00 39.78 40.22 2h8d n ASN 77 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2h8d h MET 78 N 2.35 0.00 -0.07 3.52 2.86 -1.63 -0.44 114.93 121.52 2h8d h MET 78 Ca -0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2h8d h MET 78 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 2h8d h MET 78 CO 0.15 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.87 2h8d n ASP 79 N -2.40 2.39 -1.63 1.22 8.00 -1.26 -4.43 116.55 118.44 2h8d n ASP 79 Ca -0.00 -1.68 -0.01 0.00 0.71 0.00 0.00 54.79 53.81 2h8d n ASP 79 Cb 0.14 -0.04 0.08 0.00 -0.02 0.00 0.00 41.12 41.28 2h8d n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2h8d n ASN 80 N 0.86 1.96 -0.09 -2.24 5.15 -0.19 -4.95 115.26 115.77 2h8d n ASN 80 Ca 0.10 -2.81 -0.12 0.00 -0.60 0.00 0.00 54.58 51.15 2h8d n ASN 80 Cb 0.39 -0.41 -0.04 0.00 -0.53 0.00 0.00 39.78 39.19 2h8d n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2h8d h ILE 81 N 4.28 1.28 -0.98 -1.44 2.04 -1.72 -1.83 117.51 119.13 2h8d h ILE 81 Ca -0.05 -1.02 0.07 0.00 1.00 0.00 0.00 64.86 64.85 2h8d h ILE 81 Cb 1.46 1.44 -0.07 0.00 -0.74 0.00 0.00 36.82 38.91 2h8d h ILE 81 CO 0.20 0.32 0.63 0.00 0.00 0.00 0.00 178.15 179.30 2h8d h ALA 82 N 0.78 1.36 -0.05 1.87 0.00 -1.91 -1.98 119.26 119.32 2h8d h ALA 82 Ca 0.07 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 2h8d h ALA 82 Cb 0.49 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2h8d h ALA 82 CO 0.02 0.41 -0.85 0.00 0.00 0.00 0.00 179.25 178.84 2h8d h ALA 83 N 1.45 0.42 -0.16 0.00 0.00 -1.94 -3.07 119.26 115.96 2h8d h ALA 83 Ca 0.43 -0.65 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2h8d h ALA 83 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2h8d h ALA 83 CO -0.18 0.76 0.12 1.15 0.00 0.00 0.00 179.25 181.10 2h8d h THR 84 N 0.32 0.89 -0.14 0.00 2.02 -0.63 -2.31 112.91 113.05 2h8d h THR 84 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2h8d h THR 84 Cb 1.46 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 2h8d h THR 84 CO 0.15 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.82 2h8d n TYR 85 N -4.44 0.15 -0.18 3.16 4.01 -0.82 -4.61 117.16 114.44 2h8d n TYR 85 Ca 0.01 -0.08 -0.01 0.00 -0.16 0.00 0.00 57.90 57.66 2h8d n TYR 85 Cb 0.25 -0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.36 2h8d n TYR 85 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2h8d h ALA 86 N 4.53 0.68 -0.61 -0.72 0.00 -1.32 0.12 119.26 121.95 2h8d h ALA 86 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2h8d h ALA 86 Cb 0.98 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2h8d h ALA 86 CO 0.00 -0.23 0.11 -0.44 0.00 0.00 0.00 179.25 178.69 2h8d h ASP 87 N 0.35 0.96 -0.94 0.00 5.19 -1.81 -0.45 116.42 119.72 2h8d h ASP 87 Ca 0.28 -0.25 -0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2h8d h ASP 87 Cb 0.34 -0.25 -0.05 0.00 0.18 0.00 0.00 39.33 39.55 2h8d h ASP 87 CO -0.30 0.97 0.57 0.25 -3.12 0.00 0.00 179.24 177.62 2h8d h LEU 88 N 0.91 1.12 0.29 1.55 5.85 -1.65 0.42 115.31 123.80 2h8d h LEU 88 Ca 0.19 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2h8d h LEU 88 Cb 0.41 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2h8d h LEU 88 CO 0.01 0.85 -0.14 -1.28 -0.34 0.00 0.00 178.44 177.54 2h8d h SER 89 N 1.29 -0.33 -0.66 1.25 0.87 -0.71 -0.26 113.55 115.00 2h8d h SER 89 Ca 0.34 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.91 2h8d h SER 89 Cb -0.07 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 2h8d h SER 89 CO -0.06 -0.20 0.43 0.74 -0.53 0.00 0.00 176.83 177.21 2h8d h THR 90 N -0.43 1.10 0.27 2.23 2.02 -0.89 0.31 112.91 117.52 2h8d h THR 90 Ca -0.04 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 2h8d h THR 90 Cb 0.33 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2h8d h THR 90 CO 0.07 0.15 -0.14 0.25 0.37 0.00 0.00 175.52 176.22 2h8d h LEU 91 N 0.80 -0.33 -1.26 2.58 5.85 -0.42 0.84 115.31 123.37 2h8d h LEU 91 Ca 0.26 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 2h8d h LEU 91 Cb 0.05 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2h8d h LEU 91 CO -0.07 -0.23 -0.03 0.45 -0.34 0.00 0.00 178.44 178.22 2h8d h HIS 92 N -0.37 0.48 0.04 1.25 3.86 -0.27 -1.36 115.15 118.79 2h8d h HIS 92 Ca -0.03 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2h8d h HIS 92 Cb 0.29 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.62 2h8d h HIS 92 CO -0.07 0.50 -0.02 1.03 0.86 0.00 0.00 177.93 180.24 2h8d h SER 93 N 0.44 -0.05 0.68 2.45 0.87 -0.87 0.06 113.55 117.13 2h8d h SER 93 Ca 0.09 -0.62 -0.26 0.00 -1.23 0.00 0.00 61.79 59.77 2h8d h SER 93 Cb 0.35 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 2h8d h SER 93 CO 0.01 0.70 -1.44 -0.33 -0.53 0.00 0.00 176.83 175.24 2h8d h GLU 94 N -0.90 0.01 0.00 2.24 5.08 -0.78 -3.13 114.58 117.10 2h8d h GLU 94 Ca -0.01 -0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 58.10 2h8d h GLU 94 Cb 0.66 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 2h8d h GLU 94 CO 0.01 0.71 -1.86 1.63 -1.00 0.00 0.00 179.01 178.51 2h8d n LYS 95 N -3.18 1.92 -0.03 2.33 4.01 -0.57 -4.65 118.16 118.00 2h8d n LYS 95 Ca -0.11 -0.00 0.07 0.00 -0.51 0.00 0.00 58.31 57.76 2h8d n LYS 95 Cb 1.01 -1.32 -0.16 0.00 -0.51 0.00 0.00 35.03 34.05 2h8d n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2h8d n LEU 96 N -2.48 0.00 -3.04 -0.35 4.77 -0.89 -4.99 117.00 110.03 2h8d n LEU 96 Ca -0.21 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.55 2h8d n LEU 96 Cb 0.90 0.09 0.03 0.00 -2.33 0.00 0.00 43.42 42.12 2h8d n LEU 96 CO 0.26 0.09 -0.01 1.41 -1.33 0.00 0.00 177.39 177.81 2h8d n HIS 97 N -2.33 -1.93 -2.65 -1.77 8.25 -0.14 -4.94 115.22 109.71 2h8d n HIS 97 Ca -0.09 0.50 -0.42 0.00 -0.26 0.00 0.00 57.72 57.44 2h8d n HIS 97 Cb 0.67 -4.32 -0.03 0.00 1.12 0.00 0.00 29.99 27.43 2h8d n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2h8d s VAL 98 N -3.15 4.69 -0.10 1.59 1.01 -0.33 -4.99 120.40 119.13 2h8d s VAL 98 Ca 0.31 1.95 -0.29 0.00 0.00 0.00 0.00 61.98 63.95 2h8d s VAL 98 Cb -0.14 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 31.92 2h8d s VAL 98 CO 0.38 0.03 2.00 -0.62 0.00 0.00 0.00 175.10 176.90 2h8d s ASP 99 N 1.14 6.08 0.50 3.32 -1.08 -1.26 -4.73 116.67 120.64 2h8d s ASP 99 Ca 0.51 2.23 0.34 0.00 -0.52 0.00 0.00 52.55 55.10 2h8d s ASP 99 Cb -0.20 -2.52 1.80 0.00 -1.46 0.00 0.00 42.92 40.54 2h8d s ASP 99 CO 0.21 -1.42 2.04 1.55 0.52 0.00 0.00 175.17 178.07 2h8d h PRO 100 N 12.24 0.00 0.00 4.34 0.13 -1.96 0.25 132.00 147.00 2h8d h PRO 100 Ca -0.44 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 2h8d h PRO 100 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2h8d h PRO 100 CO 0.96 0.00 -0.07 0.22 -0.23 0.00 0.00 178.00 178.87 2h8d h ASP 101 N 0.00 0.00 -0.11 1.44 3.58 -2.00 -1.74 116.42 117.59 2h8d h ASP 101 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2h8d h ASP 101 Cb 0.06 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2h8d h ASP 101 CO 0.00 0.07 -0.04 0.78 -2.88 0.00 0.00 179.24 177.17 2h8d h ASN 102 N 0.00 0.34 -0.90 2.28 -0.26 -0.88 -1.98 115.58 114.18 2h8d h ASN 102 Ca -0.00 -0.06 0.10 0.00 -0.56 0.00 0.00 56.30 55.78 2h8d h ASN 102 Cb 0.30 -0.09 -0.08 0.00 -1.06 0.00 0.00 38.32 37.40 2h8d h ASN 102 CO 0.01 0.43 0.53 -0.26 -1.06 0.00 0.00 177.43 177.08 2h8d h PHE 103 N 0.35 0.97 -0.62 1.19 0.04 -1.44 -0.80 116.94 116.64 2h8d h PHE 103 Ca 0.08 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.83 2h8d h PHE 103 Cb 0.30 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 2h8d h PHE 103 CO 0.01 0.40 0.20 -0.22 -0.60 0.00 0.00 178.31 178.09 2h8d h LYS 104 N 0.88 0.93 -0.21 1.51 3.64 -1.46 -0.09 116.57 121.77 2h8d h LYS 104 Ca 0.43 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 2h8d h LYS 104 Cb 0.40 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2h8d h LYS 104 CO -0.25 0.80 -0.24 -0.07 -2.27 0.00 0.00 179.45 177.41 2h8d h LEU 105 N 0.91 0.58 -0.64 5.20 3.38 -1.27 -1.50 115.31 121.97 2h8d h LEU 105 Ca 0.20 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2h8d h LEU 105 Cb 0.25 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2h8d h LEU 105 CO -0.01 0.95 0.42 0.25 0.09 0.00 0.00 178.44 180.14 2h8d h LEU 106 N 0.21 0.74 -0.68 1.67 5.85 -0.98 -2.39 115.31 119.74 2h8d h LEU 106 Ca 0.03 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.81 2h8d h LEU 106 Cb 0.81 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 2h8d h LEU 106 CO 0.06 0.55 0.31 0.28 -0.34 0.00 0.00 178.44 179.30 2h8d h SER 107 N 0.87 0.38 -0.25 1.25 0.02 -0.72 0.09 113.55 115.19 2h8d h SER 107 Ca 0.23 0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 61.18 2h8d h SER 107 Cb -0.08 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2h8d h SER 107 CO -0.05 0.22 -0.07 0.44 -1.14 0.00 0.00 176.83 176.23 2h8d h ASP 108 N 0.53 0.59 -0.21 3.07 3.32 -0.94 -0.44 116.42 122.34 2h8d h ASP 108 Ca 0.34 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 2h8d h ASP 108 Cb 0.38 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2h8d h ASP 108 CO -0.28 0.70 -0.04 0.00 -1.72 0.00 0.00 179.24 177.89 2h8d h ILE 110 N 0.13 0.71 -0.73 0.00 2.04 -0.75 0.26 117.51 119.17 2h8d h ILE 110 Ca 0.05 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.98 2h8d h ILE 110 Cb 0.49 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 2h8d h ILE 110 CO 0.02 0.00 0.41 0.74 0.00 0.00 0.00 178.15 179.32 2h8d h THR 111 N -0.01 0.96 -0.09 -0.27 2.02 -0.94 0.12 112.91 114.70 2h8d h THR 111 Ca 0.14 -0.25 -0.16 0.00 0.77 0.00 0.00 66.41 66.90 2h8d h THR 111 Cb 0.22 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2h8d h THR 111 CO -0.29 0.13 -0.62 0.40 0.37 0.00 0.00 175.52 175.51 2h8d h ILE 112 N 0.74 1.37 -0.29 3.11 2.04 -0.35 -0.71 117.51 123.41 2h8d h ILE 112 Ca 0.33 -1.99 -0.08 0.00 1.00 0.00 0.00 64.86 64.13 2h8d h ILE 112 Cb 0.23 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2h8d h ILE 112 CO -0.20 0.60 -0.12 0.58 0.00 0.00 0.00 178.15 179.01 2h8d h VAL 113 N 0.25 1.29 -0.62 1.67 2.07 -0.21 -2.31 116.25 118.40 2h8d h VAL 113 Ca -0.01 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 2h8d h VAL 113 Cb 1.15 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 2h8d h VAL 113 CO 0.10 0.38 0.25 0.25 0.02 0.00 0.00 177.57 178.57 2h8d h LEU 114 N 0.35 0.84 -0.94 2.57 5.85 -0.71 -1.26 115.31 122.01 2h8d h LEU 114 Ca 0.07 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2h8d h LEU 114 Cb 0.63 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 2h8d h LEU 114 CO 0.04 0.75 0.61 0.00 -0.34 0.00 0.00 178.44 179.50 2h8d h ALA 115 N 1.37 1.24 -0.23 1.25 0.00 -1.01 0.96 119.26 122.84 2h8d h ALA 115 Ca 0.21 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2h8d h ALA 115 Cb 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2h8d h ALA 115 CO -0.02 0.48 0.14 0.00 0.00 0.00 0.00 179.25 179.85 2h8d h ALA 116 N 1.39 0.29 -0.37 0.00 0.00 -0.76 -1.09 119.26 118.72 2h8d h ALA 116 Ca 0.37 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2h8d h ALA 116 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2h8d h ALA 116 CO -0.12 -0.21 0.14 -0.22 0.00 0.00 0.00 179.25 178.84 2h8d h LYS 117 N 0.28 0.56 0.00 0.00 3.64 -0.61 -3.23 116.57 117.22 2h8d h LYS 117 Ca 0.08 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 2h8d h LYS 117 Cb 0.01 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2h8d h LYS 117 CO -0.02 0.56 -0.53 0.52 -2.27 0.00 0.00 179.45 177.71 2h8d h MET 118 N 0.45 0.00 0.00 1.90 2.86 -0.81 -3.49 114.93 115.85 2h8d h MET 118 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2h8d h MET 118 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2h8d h MET 118 CO -0.01 0.43 0.00 0.41 1.06 0.00 0.00 176.91 178.80 2h8d n GLY 119 N 1.22 3.47 0.39 8.32 0.00 -0.42 -1.95 105.19 116.23 2h8d n GLY 119 Ca 0.01 -0.15 0.21 0.00 0.00 0.00 0.00 46.02 46.10 2h8d n GLY 119 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2h8d h HIS 120 N 0.00 0.00 0.00 1.61 -0.00 -1.93 -0.42 115.15 114.40 2h8d h HIS 120 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2h8d h HIS 120 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2h8d h HIS 120 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 177.93 2h8d h ALA 121 N 1.65 1.00 -0.25 5.26 0.00 -1.78 -3.35 119.26 121.80 2h8d h ALA 121 Ca 0.26 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.46 2h8d h ALA 121 Cb 1.11 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 2h8d h ALA 121 CO -0.00 0.00 2.85 0.34 0.00 0.00 0.00 179.25 182.44 2h8d n PHE 122 N -2.67 3.64 -1.06 0.00 7.35 -0.17 -4.90 117.46 119.64 2h8d n PHE 122 Ca 0.02 -2.95 -0.29 0.00 -0.76 0.00 0.00 57.45 53.48 2h8d n PHE 122 Cb 0.30 -2.49 0.19 0.00 0.35 0.00 0.00 39.48 37.84 2h8d n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2h8d s THR 123 N 2.95 2.04 0.25 -2.13 -4.23 -1.26 -4.67 115.64 108.60 2h8d s THR 123 Ca 0.47 0.01 -0.04 0.00 -1.18 0.00 0.00 61.69 60.95 2h8d s THR 123 Cb 0.12 -2.43 0.25 0.00 1.34 0.00 0.00 72.50 71.77 2h8d s THR 123 CO -0.06 -0.02 1.88 0.00 -0.54 0.00 0.00 174.62 175.89 2h8d h ALA 124 N -2.05 1.28 -0.51 3.99 0.00 -1.94 0.22 119.26 120.26 2h8d h ALA 124 Ca -0.56 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 2h8d h ALA 124 Cb 1.33 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2h8d h ALA 124 CO 0.56 0.43 -0.10 1.49 0.00 0.00 0.00 179.25 181.64 2h8d h GLU 125 N 1.14 0.93 -0.45 0.00 4.81 -1.98 0.34 114.58 119.38 2h8d h GLU 125 Ca 0.39 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2h8d h GLU 125 Cb 0.09 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2h8d h GLU 125 CO -0.15 0.98 0.21 1.15 -0.73 0.00 0.00 179.01 180.48 2h8d h THR 126 N 0.84 1.19 -0.95 0.32 2.02 -1.76 -1.36 112.91 113.20 2h8d h THR 126 Ca 0.14 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 2h8d h THR 126 Cb 0.64 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 2h8d h THR 126 CO 0.04 0.21 0.58 -0.61 0.37 0.00 0.00 175.52 176.11 2h8d h GLN 127 N 0.58 1.29 0.08 6.66 4.15 -0.77 0.11 115.11 127.21 2h8d h GLN 127 Ca 0.15 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 2h8d h GLN 127 Cb 0.13 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 2h8d h GLN 127 CO -0.02 0.89 -0.06 0.78 -1.93 0.00 0.00 178.83 178.50 2h8d h GLY 128 N 1.31 -0.13 0.94 2.39 0.00 -0.50 0.37 103.07 107.44 2h8d h GLY 128 Ca 0.34 0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.68 2h8d h GLY 128 CO -0.07 -0.06 0.03 0.00 0.00 0.00 0.00 176.54 176.45 2h8d h ALA 129 N 0.78 0.52 -0.21 3.60 0.00 -1.10 -1.16 119.26 121.69 2h8d h ALA 129 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2h8d h ALA 129 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2h8d h ALA 129 CO 0.00 0.27 0.09 0.35 0.00 0.00 0.00 179.25 179.95 2h8d h PHE 130 N 0.50 0.32 -0.17 0.00 3.57 -0.82 -1.69 116.94 118.65 2h8d h PHE 130 Ca 0.12 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 2h8d h PHE 130 Cb 0.42 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2h8d h PHE 130 CO 0.03 0.36 -0.19 1.96 -2.23 0.00 0.00 178.31 178.23 2h8d h GLN 131 N 0.19 0.29 -0.27 1.11 4.20 -0.86 -1.34 115.11 118.43 2h8d h GLN 131 Ca 0.07 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2h8d h GLN 131 Cb 0.17 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2h8d h GLN 131 CO -0.01 0.48 0.13 -0.22 -0.67 0.00 0.00 178.83 178.54 2h8d h LYS 132 N 0.27 0.40 -0.28 1.46 3.64 -0.79 0.45 116.57 121.72 2h8d h LYS 132 Ca 0.05 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2h8d h LYS 132 Cb 0.50 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2h8d h LYS 132 CO 0.03 0.40 0.13 0.35 -2.27 0.00 0.00 179.45 178.09 2h8d h PHE 133 N 0.31 0.24 -0.63 1.91 3.57 -1.10 -0.13 116.94 121.11 2h8d h PHE 133 Ca 0.09 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 2h8d h PHE 133 Cb 0.13 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2h8d h PHE 133 CO -0.02 0.13 0.13 -0.07 -2.23 0.00 0.00 178.31 176.26 2h8d h LEU 134 N 0.28 0.94 -1.00 0.59 3.38 -0.92 -1.17 115.31 117.41 2h8d h LEU 134 Ca 0.12 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2h8d h LEU 134 Cb 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2h8d h LEU 134 CO -0.09 0.92 -0.05 0.00 0.09 0.00 0.00 178.44 179.32 2h8d h ALA 135 N 1.19 1.17 -0.13 1.53 0.00 0.22 0.24 119.26 123.48 2h8d h ALA 135 Ca 0.20 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2h8d h ALA 135 Cb 0.36 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2h8d h ALA 135 CO 0.00 0.53 -0.64 0.28 0.00 0.00 0.00 179.25 179.43 2h8d h VAL 136 N 0.62 1.34 -0.38 0.00 2.07 -0.48 -1.89 116.25 117.53 2h8d h VAL 136 Ca 0.12 -1.95 -0.03 0.00 0.82 0.00 0.00 66.70 65.65 2h8d h VAL 136 Cb 0.46 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2h8d h VAL 136 CO 0.02 0.60 0.10 0.58 0.02 0.00 0.00 177.57 178.89 2h8d h VAL 137 N 0.36 1.22 -0.65 2.57 2.07 -1.03 -2.67 116.25 118.11 2h8d h VAL 137 Ca -0.01 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 2h8d h VAL 137 Cb 1.19 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 2h8d h VAL 137 CO 0.11 0.26 0.10 0.58 0.02 0.00 0.00 177.57 178.64 2h8d h VAL 138 N 0.46 1.26 -0.26 2.57 2.07 -0.82 0.13 116.25 121.66 2h8d h VAL 138 Ca 0.12 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.65 2h8d h VAL 138 Cb 0.29 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 2h8d h VAL 138 CO -0.00 0.39 -0.05 -1.28 0.02 0.00 0.00 177.57 176.64 2h8d h SER 139 N 1.01 -0.22 -0.21 0.57 0.87 -1.33 -1.19 113.55 113.04 2h8d h SER 139 Ca 0.20 0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.77 2h8d h SER 139 Cb 0.44 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 2h8d h SER 139 CO 0.01 -0.08 -0.06 0.00 -0.53 0.00 0.00 176.83 176.17 2h8d h ALA 140 N 1.26 1.26 0.00 6.23 0.00 -1.08 -1.46 119.26 125.47 2h8d h ALA 140 Ca 0.13 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2h8d h ALA 140 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2h8d h ALA 140 CO -0.26 0.49 -0.41 -0.07 0.00 0.00 0.00 179.25 179.00 2h8d h LEU 141 N 0.52 0.00 -0.97 0.00 3.38 -0.59 -3.04 115.31 114.60 2h8d h LEU 141 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2h8d h LEU 141 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2h8d h LEU 141 CO 0.02 0.41 -0.11 0.61 0.09 0.00 0.00 178.44 179.46 2h8d n GLY 142 N -0.32 -0.03 0.37 0.83 0.00 -0.48 -4.45 105.19 101.10 2h8d n GLY 142 Ca -0.02 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 2h8d n GLY 142 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2h8d h LYS 143 N 2.37 1.25 -0.99 1.61 3.64 -1.18 -3.18 116.57 120.09 2h8d h LYS 143 Ca 0.00 -0.10 -0.59 0.00 -1.27 0.00 0.00 60.65 58.68 2h8d h LYS 143 Cb 0.59 -0.27 -0.30 0.00 -0.41 0.00 0.00 32.23 31.85 2h8d h LYS 143 CO 0.00 0.86 0.74 1.04 -2.27 0.00 0.00 179.45 179.83 2h8d n GLN 144 N -4.36 2.47 -3.17 1.90 1.13 -1.26 -4.82 117.38 109.27 2h8d n GLN 144 Ca 0.10 -3.16 -0.44 0.00 -1.94 0.00 0.00 57.00 51.57 2h8d n GLN 144 Cb 0.05 -2.23 -0.06 0.00 0.11 0.00 0.00 30.24 28.11 2h8d n GLN 144 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2h8d s TYR 145 N -3.56 3.06 -1.34 1.08 1.51 -1.20 -4.62 117.35 112.27 2h8d s TYR 145 Ca 0.61 -0.48 0.11 0.00 -1.01 0.00 0.00 57.07 56.29 2h8d s TYR 145 Cb 0.49 -3.47 0.08 0.00 -0.11 0.00 0.00 41.96 38.96 2h8d s TYR 145 CO 0.05 -0.99 0.84 0.72 -1.11 0.00 0.00 175.55 175.06