#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udd n ARG 2 N 0.00 -5.54 -2.67 3.17 1.74 -1.26 -5.06 116.66 107.04 1udd n ARG 2 Ca 0.00 3.94 -0.23 0.00 -0.77 0.00 0.00 57.85 60.79 1udd n ARG 2 Cb 0.00 -4.40 0.10 0.00 -1.02 0.00 0.00 32.46 27.14 1udd n ARG 2 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1udd s VAL 3 N -0.54 2.14 0.78 1.55 -7.23 -1.26 -5.08 120.40 110.76 1udd s VAL 3 Ca 0.00 -0.67 -0.12 0.00 -1.81 0.00 0.00 61.98 59.38 1udd s VAL 3 Cb 0.00 -2.47 0.06 0.00 0.56 0.00 0.00 36.38 34.53 1udd s VAL 3 CO 0.00 0.00 1.11 -0.04 -0.31 0.00 0.00 175.10 175.86 1udd s MET 4 N -5.05 2.24 0.12 4.82 1.00 -1.26 -4.89 119.30 116.27 1udd s MET 4 Ca 0.65 0.50 -0.21 0.00 0.00 0.00 0.00 55.69 56.64 1udd s MET 4 Cb -0.05 -1.95 -0.06 0.00 0.00 0.00 0.00 34.83 32.77 1udd s MET 4 CO 0.43 -1.48 1.71 0.82 0.00 0.00 0.00 175.02 176.51 1udd h ILE 5 N -0.98 0.84 0.00 2.53 2.04 -1.92 -1.66 117.51 118.36 1udd h ILE 5 Ca -0.47 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 1udd h ILE 5 Cb 1.27 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1udd h ILE 5 CO 0.62 0.00 -0.13 0.71 0.00 0.00 0.00 178.15 179.35 1udd h THR 6 N -0.01 0.54 -0.15 -0.27 1.35 -1.92 -1.07 112.91 111.38 1udd h THR 6 Ca 0.07 -0.61 -0.02 0.00 -0.55 0.00 0.00 66.41 65.30 1udd h THR 6 Cb 0.12 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1udd h THR 6 CO -0.15 0.13 0.03 0.44 -0.25 0.00 0.00 175.52 175.72 1udd h ASP 7 N 0.00 0.23 -0.78 5.36 3.32 -1.70 -1.97 116.42 120.89 1udd h ASP 7 Ca -0.00 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 1udd h ASP 7 Cb 0.39 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1udd h ASP 7 CO 0.02 0.42 0.39 0.11 -1.72 0.00 0.00 179.24 178.46 1udd h LYS 8 N 0.04 1.13 -0.62 3.56 1.57 -0.51 0.15 116.57 121.89 1udd h LYS 8 Ca 0.05 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1udd h LYS 8 Cb 0.28 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1udd h LYS 8 CO 0.00 0.86 0.25 -0.07 -0.57 0.00 0.00 179.45 179.92 1udd h LEU 9 N 1.12 0.86 -0.10 2.94 3.38 -1.07 0.37 115.31 122.80 1udd h LEU 9 Ca 0.27 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1udd h LEU 9 Cb 0.09 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1udd h LEU 9 CO -0.04 0.79 -0.02 -0.09 0.09 0.00 0.00 178.44 179.17 1udd h ARG 10 N 0.87 0.18 -0.11 1.13 9.65 -1.04 -2.80 114.38 122.26 1udd h ARG 10 Ca 0.21 -0.07 0.04 0.00 -1.10 0.00 0.00 59.98 59.06 1udd h ARG 10 Cb 0.20 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.71 1udd h ARG 10 CO -0.02 0.49 -0.32 -0.09 2.80 0.00 0.00 179.97 182.83 1udd h ARG 11 N -0.13 -0.40 0.00 0.20 2.43 -0.33 -2.23 114.38 113.92 1udd h ARG 11 Ca 0.03 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1udd h ARG 11 Cb 0.41 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1udd h ARG 11 CO 0.01 -0.26 0.00 -0.25 -1.51 0.00 0.00 179.97 177.95 1udd n ASP 12 N -5.41 0.00 -0.11 -3.80 8.00 0.13 -2.87 116.55 112.48 1udd n ASP 12 Ca -0.03 0.11 0.06 0.00 0.71 0.00 0.00 54.79 55.63 1udd n ASP 12 Cb 0.33 -0.29 0.08 0.00 -0.02 0.00 0.00 41.12 41.21 1udd n ASP 12 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1udd n SER 13 N -1.29 1.78 -0.27 -2.24 3.41 -0.87 -4.84 113.62 109.29 1udd n SER 13 Ca 0.06 -2.54 0.07 0.00 -0.26 0.00 0.00 58.87 56.20 1udd n SER 13 Cb 0.10 -0.27 0.21 0.00 -0.26 0.00 0.00 64.21 64.00 1udd n SER 13 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1udd h GLU 14 N 0.00 0.46 -0.50 4.33 5.08 -1.33 -1.96 114.58 120.67 1udd h GLU 14 Ca 0.00 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1udd h GLU 14 Cb 0.94 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1udd h GLU 14 CO 0.00 0.30 -0.12 0.37 -1.00 0.00 0.00 179.01 178.56 1udd h GLN 15 N 0.47 0.93 0.00 2.33 5.75 -1.88 -1.68 115.11 121.03 1udd h GLN 15 Ca 0.44 -0.33 -0.19 0.00 -0.15 0.00 0.00 58.65 58.42 1udd h GLN 15 Cb 0.69 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.15 1udd h GLN 15 CO -0.41 0.99 -0.89 -0.84 -2.65 0.00 0.00 178.83 175.03 1udd h ILE 16 N 0.83 1.64 -0.26 2.39 -0.00 -1.84 -2.85 117.51 117.41 1udd h ILE 16 Ca 0.13 -3.04 -0.08 0.00 -0.00 0.00 0.00 64.86 61.86 1udd h ILE 16 Cb 0.66 2.64 -0.01 0.00 -0.00 0.00 0.00 36.82 40.10 1udd h ILE 16 CO 0.05 0.87 -0.20 -0.50 -0.00 0.00 0.00 178.15 178.37 1udd h TRP 17 N 0.00 0.52 -0.51 0.16 4.06 -1.24 -1.12 115.95 117.81 1udd h TRP 17 Ca -0.01 -0.10 -0.01 0.00 2.06 0.00 0.00 58.89 60.84 1udd h TRP 17 Cb 1.57 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 29.57 1udd h TRP 17 CO 0.00 0.65 0.29 -0.22 -3.56 0.00 0.00 178.44 175.60 1udd h LYS 18 N 0.43 0.71 -0.06 0.49 3.64 -1.22 0.24 116.57 120.79 1udd h LYS 18 Ca 0.07 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1udd h LYS 18 Cb 0.59 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1udd h LYS 18 CO 0.04 0.53 -0.16 0.87 -2.27 0.00 0.00 179.45 178.46 1udd h LYS 19 N 0.68 0.10 -0.14 1.90 1.57 -1.19 -0.72 116.57 118.77 1udd h LYS 19 Ca 0.18 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1udd h LYS 19 Cb 0.02 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1udd h LYS 19 CO -0.03 0.27 -0.18 0.82 -0.57 0.00 0.00 179.45 179.75 1udd h ILE 20 N 0.10 1.36 -0.22 1.86 2.04 -0.02 -1.03 117.51 121.59 1udd h ILE 20 Ca 0.02 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.47 1udd h ILE 20 Cb 0.35 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1udd h ILE 20 CO 0.02 0.41 0.05 -0.26 0.00 0.00 0.00 178.15 178.37 1udd h PHE 21 N -0.03 0.31 -0.36 1.37 0.04 0.00 -2.74 116.94 115.53 1udd h PHE 21 Ca 0.02 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1udd h PHE 21 Cb 0.73 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.79 1udd h PHE 21 CO 0.09 0.28 0.00 0.39 -0.60 0.00 0.00 178.31 178.47 1udd n GLU 22 N -4.41 2.41 -1.90 1.51 1.02 -0.33 -4.46 120.64 114.48 1udd n GLU 22 Ca 0.00 -2.13 -0.42 0.00 -0.02 0.00 0.00 57.16 54.60 1udd n GLU 22 Cb 0.15 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 1udd n GLU 22 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1udd s HIS 23 N -1.54 2.94 0.23 -0.32 2.46 -0.40 -4.76 115.29 113.89 1udd s HIS 23 Ca 0.38 0.79 -0.12 0.00 0.47 0.00 0.00 55.06 56.57 1udd s HIS 23 Cb 0.22 -3.95 0.28 0.00 -0.13 0.00 0.00 32.58 29.00 1udd s HIS 23 CO 0.31 -3.28 1.61 -1.35 -2.47 0.00 0.00 174.74 169.56 1udd h PRO 24 N 5.60 -0.00 -0.34 2.88 0.11 -1.91 0.33 132.00 138.66 1udd h PRO 24 Ca -0.45 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.70 1udd h PRO 24 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1udd h PRO 24 CO 0.83 -0.00 0.10 0.35 -0.21 0.00 0.00 178.00 179.08 1udd h PHE 25 N -0.00 0.18 0.29 0.65 3.57 -1.90 0.53 116.94 120.27 1udd h PHE 25 Ca 0.34 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 1udd h PHE 25 Cb 0.52 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1udd h PHE 25 CO -0.57 0.07 -0.14 0.28 -2.23 0.00 0.00 178.31 175.71 1udd h VAL 26 N 0.24 0.74 -0.60 1.41 2.07 -1.47 -0.08 116.25 118.57 1udd h VAL 26 Ca 0.16 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.34 1udd h VAL 26 Cb 0.15 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 1udd h VAL 26 CO -0.18 0.08 0.31 0.58 0.02 0.00 0.00 177.57 178.38 1udd h VAL 27 N -0.61 0.94 -0.02 2.57 2.07 -0.17 -1.67 116.25 119.36 1udd h VAL 27 Ca -0.04 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 1udd h VAL 27 Cb 0.44 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1udd h VAL 27 CO 0.07 0.10 -0.55 1.56 0.02 0.00 0.00 177.57 178.77 1udd h GLN 28 N 0.57 0.06 -0.31 1.57 4.20 0.11 -1.06 115.11 120.25 1udd h GLN 28 Ca 0.27 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.86 1udd h GLN 28 Cb 0.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1udd h GLN 28 CO -0.19 0.60 -0.11 1.25 -0.67 0.00 0.00 178.83 179.71 1udd h LEU 29 N 0.05 0.64 -0.38 1.46 6.46 -0.43 0.19 115.31 123.29 1udd h LEU 29 Ca -0.00 -0.39 -0.15 0.00 -0.12 0.00 0.00 57.88 57.23 1udd h LEU 29 Cb 0.99 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.73 1udd h LEU 29 CO 0.08 0.88 -0.69 1.88 -0.62 0.00 0.00 178.44 179.96 1udd h TYR 30 N 0.40 0.00 0.04 1.25 -1.99 -1.23 -3.18 116.97 112.24 1udd h TYR 30 Ca 0.08 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.59 1udd h TYR 30 Cb 0.62 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.34 1udd h TYR 30 CO 0.06 0.69 -1.01 0.66 -0.00 0.00 0.00 178.16 178.56 1udd h SER 31 N 0.00 0.20 0.00 3.88 4.64 -1.15 -3.24 113.55 117.88 1udd h SER 31 Ca -0.01 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1udd h SER 31 Cb 1.36 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1udd h SER 31 CO 0.09 1.09 0.00 0.61 -0.87 0.00 0.00 176.83 177.75 1udd n GLY 32 N 1.20 1.01 0.14 -0.77 0.00 -0.38 -4.38 105.19 102.01 1udd n GLY 32 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1udd n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1udd h THR 33 N 0.00 0.00 -2.52 2.61 2.02 -1.32 -3.44 112.91 110.26 1udd h THR 33 Ca 0.00 -0.93 -0.58 0.00 0.77 0.00 0.00 66.41 65.68 1udd h THR 33 Cb 0.00 1.59 0.07 0.00 -1.74 0.00 0.00 68.15 68.07 1udd h THR 33 CO 0.00 0.00 0.73 -0.11 0.37 0.00 0.00 175.52 176.51 1udd n LEU 34 N -2.72 3.21 -4.67 2.58 7.94 -0.21 -4.89 117.00 118.24 1udd n LEU 34 Ca 0.02 1.11 -0.42 0.00 -1.11 0.00 0.00 56.01 55.60 1udd n LEU 34 Cb 0.53 -1.44 -0.03 0.00 0.53 0.00 0.00 43.42 43.01 1udd n LEU 34 CO 0.38 -0.33 1.24 -2.84 -1.11 0.00 0.00 177.39 174.73 1udd s PRO 35 N 0.27 4.22 0.61 1.96 0.02 -1.26 -4.85 135.00 135.98 1udd s PRO 35 Ca 0.73 2.06 0.25 0.00 0.02 0.00 0.00 61.00 64.06 1udd s PRO 35 Cb -0.65 -3.77 0.96 0.00 0.02 0.00 0.00 34.50 31.05 1udd s PRO 35 CO 0.43 -0.73 1.39 1.25 -0.33 0.00 0.00 177.00 179.02 1udd h LEU 36 N 9.35 0.00 -0.52 -5.54 5.85 -1.97 0.51 115.31 122.99 1udd h LEU 36 Ca -0.37 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.19 1udd h LEU 36 Cb 1.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1udd h LEU 36 CO 0.94 0.00 -0.55 -0.33 -0.34 0.00 0.00 178.44 178.16 1udd h GLU 37 N 0.00 0.56 -0.09 1.25 4.39 -2.00 -2.60 114.58 116.09 1udd h GLU 37 Ca 0.39 -0.35 -0.14 0.00 0.34 0.00 0.00 59.36 59.60 1udd h GLU 37 Cb 2.51 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 31.19 1udd h GLU 37 CO -0.00 0.96 -0.55 0.87 -1.16 0.00 0.00 179.01 179.12 1udd h LYS 38 N 0.43 0.28 -0.43 2.33 1.57 -0.35 -2.67 116.57 117.73 1udd h LYS 38 Ca 0.01 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.53 1udd h LYS 38 Cb 1.09 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1udd h LYS 38 CO 0.10 0.76 -0.07 0.35 -0.57 0.00 0.00 179.45 180.02 1udd h PHE 39 N 0.21 0.91 -0.87 -1.35 3.57 -1.46 -2.21 116.94 115.75 1udd h PHE 39 Ca 0.00 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.29 1udd h PHE 39 Cb 1.04 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 1udd h PHE 39 CO 0.02 0.91 0.45 0.87 -2.23 0.00 0.00 178.31 178.33 1udd h LYS 40 N 0.65 1.23 -0.80 1.11 1.57 -1.37 0.27 116.57 119.23 1udd h LYS 40 Ca 0.11 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1udd h LYS 40 Cb 0.60 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 1udd h LYS 40 CO 0.04 0.92 0.42 0.35 -0.57 0.00 0.00 179.45 180.62 1udd h PHE 41 N 1.23 1.10 0.35 -1.35 3.57 -1.27 -0.44 116.94 120.14 1udd h PHE 41 Ca 0.30 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1udd h PHE 41 Cb 0.07 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.47 1udd h PHE 41 CO 0.01 0.78 -0.17 -0.92 -2.23 0.00 0.00 178.31 175.78 1udd h TYR 42 N 1.11 -0.43 -0.66 0.41 3.20 -0.77 -2.11 116.97 117.72 1udd h TYR 42 Ca 0.28 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.25 1udd h TYR 42 Cb 0.05 0.14 -0.08 0.00 1.54 0.00 0.00 36.73 38.39 1udd h TYR 42 CO 0.00 -0.13 0.25 0.28 -1.64 0.00 0.00 178.16 176.92 1udd h VAL 43 N -0.72 0.73 -0.51 1.81 2.07 -0.36 -0.66 116.25 118.61 1udd h VAL 43 Ca -0.05 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.40 1udd h VAL 43 Cb 0.50 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 1udd h VAL 43 CO 0.08 0.08 0.17 -0.07 0.02 0.00 0.00 177.57 177.84 1udd h LEU 44 N 0.42 0.15 -0.84 2.57 4.07 -1.01 0.13 115.31 120.80 1udd h LEU 44 Ca 0.34 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.37 1udd h LEU 44 Cb 0.46 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1udd h LEU 44 CO -0.34 0.11 0.00 0.00 -1.08 0.00 0.00 178.44 177.13 1udd n GLN 45 N -5.03 0.15 0.26 1.13 1.13 -0.33 -2.81 117.38 111.89 1udd n GLN 45 Ca 0.06 0.48 0.16 0.00 -1.94 0.00 0.00 57.00 55.76 1udd n GLN 45 Cb 0.22 -1.85 0.61 0.00 0.11 0.00 0.00 30.24 29.33 1udd n GLN 45 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1udd h ASP 46 N 0.00 0.00 0.30 1.08 3.32 0.06 -3.25 116.42 117.93 1udd h ASP 46 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1udd h ASP 46 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1udd h ASP 46 CO 0.00 0.04 -0.15 0.15 -1.72 0.00 0.00 179.24 177.56 1udd h PHE 47 N 0.00 -0.39 -0.28 4.55 3.57 -1.62 0.16 116.94 122.93 1udd h PHE 47 Ca -0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1udd h PHE 47 Cb 0.59 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1udd h PHE 47 CO 0.00 -0.24 0.20 -0.97 -2.23 0.00 0.00 178.31 175.06 1udd h ASN 48 N -0.42 0.07 -0.15 0.41 -1.24 -1.80 0.57 115.58 113.02 1udd h ASN 48 Ca -0.04 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.86 1udd h ASN 48 Cb 0.32 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1udd h ASN 48 CO 0.06 0.05 -0.34 0.22 -1.29 0.00 0.00 177.43 176.13 1udd h TYR 49 N 0.08 0.63 -0.23 0.67 -0.00 -1.46 0.28 116.97 116.94 1udd h TYR 49 Ca 0.13 -0.24 0.01 0.00 -0.00 0.00 0.00 58.73 58.63 1udd h TYR 49 Cb 0.41 -0.11 -0.02 0.00 -0.00 0.00 0.00 36.73 37.01 1udd h TYR 49 CO -0.00 0.97 0.13 1.25 -0.00 0.00 0.00 178.16 180.50 1udd h LEU 50 N 0.12 0.20 -0.17 2.82 6.46 0.85 0.10 115.31 125.70 1udd h LEU 50 Ca 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 1udd h LEU 50 Cb 0.94 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 1udd h LEU 50 CO 0.07 0.15 -0.01 0.58 -0.62 0.00 0.00 178.44 178.62 1udd h VAL 51 N 0.27 1.26 -0.95 1.05 2.07 -0.97 -2.67 116.25 116.31 1udd h VAL 51 Ca 0.09 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.72 1udd h VAL 51 Cb 0.00 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1udd h VAL 51 CO -0.05 0.27 0.62 1.23 0.02 0.00 0.00 177.57 179.66 1udd h GLY 52 N 0.04 1.34 1.08 2.17 0.00 -0.67 -0.20 103.07 106.82 1udd h GLY 52 Ca 0.05 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1udd h GLY 52 CO 0.01 0.49 0.34 -2.00 0.00 0.00 0.00 176.54 175.39 1udd h LEU 53 N 1.29 1.08 -0.35 3.11 5.85 -0.81 -2.00 115.31 123.47 1udd h LEU 53 Ca 0.35 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1udd h LEU 53 Cb -0.14 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.60 1udd h LEU 53 CO -0.07 0.93 0.12 0.74 -0.34 0.00 0.00 178.44 179.82 1udd h THR 54 N 1.15 1.20 -0.51 1.05 2.02 -0.91 -1.71 112.91 115.20 1udd h THR 54 Ca 0.27 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1udd h THR 54 Cb 0.18 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1udd h THR 54 CO -0.03 0.23 0.33 0.03 0.37 0.00 0.00 175.52 176.45 1udd h ARG 55 N 0.41 0.68 -0.62 6.66 3.08 -0.80 -0.88 114.38 122.91 1udd h ARG 55 Ca 0.11 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 1udd h ARG 55 Cb 0.23 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1udd h ARG 55 CO -0.01 0.46 0.03 0.00 -1.07 0.00 0.00 179.97 179.39 1udd h ALA 56 N 1.17 0.83 -0.61 0.04 0.00 -1.29 -2.09 119.26 117.32 1udd h ALA 56 Ca 0.19 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1udd h ALA 56 Cb -0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1udd h ALA 56 CO -0.04 0.66 0.21 -0.07 0.00 0.00 0.00 179.25 180.01 1udd h LEU 57 N 0.98 0.84 -0.24 0.00 3.38 -0.99 -1.26 115.31 118.03 1udd h LEU 57 Ca 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1udd h LEU 57 Cb 0.53 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1udd h LEU 57 CO 0.03 0.78 0.10 0.00 0.09 0.00 0.00 178.44 179.43 1udd h ALA 58 N 1.34 0.31 -0.23 1.53 0.00 -0.79 0.53 119.26 121.96 1udd h ALA 58 Ca 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1udd h ALA 58 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1udd h ALA 58 CO -0.01 -0.09 0.13 0.28 0.00 0.00 0.00 179.25 179.56 1udd h VAL 59 N 0.24 1.11 -0.52 0.00 2.07 -1.08 0.88 116.25 118.95 1udd h VAL 59 Ca 0.08 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.38 1udd h VAL 59 Cb 0.18 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1udd h VAL 59 CO -0.01 0.10 0.23 0.40 0.02 0.00 0.00 177.57 178.32 1udd h ILE 60 N 0.27 0.90 -0.63 4.57 2.04 -1.07 -1.77 117.51 121.82 1udd h ILE 60 Ca 0.08 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1udd h ILE 60 Cb 0.05 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1udd h ILE 60 CO -0.01 0.08 0.25 0.77 0.00 0.00 0.00 178.15 179.23 1udd h SER 61 N 0.45 0.84 0.17 1.72 4.64 -0.45 -1.71 113.55 119.21 1udd h SER 61 Ca 0.24 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1udd h SER 61 Cb 0.20 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1udd h SER 61 CO -0.20 0.75 0.00 0.77 -0.87 0.00 0.00 176.83 177.29 1udd h SER 62 N 0.90 0.00 0.00 4.97 4.64 0.07 -2.67 113.55 121.47 1udd h SER 62 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1udd h SER 62 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1udd h SER 62 CO -0.02 0.00 -1.14 0.29 -0.87 0.00 0.00 176.83 175.09 1udd n LYS 63 N -3.02 1.49 -1.52 4.77 5.02 -0.77 -5.02 118.16 119.12 1udd n LYS 63 Ca -0.02 -0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 55.90 1udd n LYS 63 Cb 0.11 -1.23 0.07 0.00 -0.02 0.00 0.00 35.03 33.95 1udd n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1udd s ALA 64 N -2.61 2.50 0.44 7.82 0.00 -0.72 -4.98 121.76 124.21 1udd s ALA 64 Ca -0.00 0.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 1udd s ALA 64 Cb 0.09 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1udd s ALA 64 CO 0.56 -1.44 0.75 -1.21 0.00 0.00 0.00 175.76 174.42 1udd s GLU 65 N -5.05 3.60 0.31 0.00 0.41 -1.26 -4.64 118.70 112.07 1udd s GLU 65 Ca 0.59 0.21 -0.22 0.00 -0.41 0.00 0.00 54.97 55.15 1udd s GLU 65 Cb -0.15 -2.42 -0.09 0.00 -1.78 0.00 0.00 34.13 29.69 1udd s GLU 65 CO 0.55 -0.11 0.85 -0.47 -0.49 0.00 0.00 175.26 175.59 1udd s TYR 66 N -2.57 3.56 -1.76 1.61 6.14 -1.26 -0.64 117.35 122.43 1udd s TYR 66 Ca 0.47 1.56 0.29 0.00 0.64 0.00 0.00 57.07 60.03 1udd s TYR 66 Cb -0.10 -2.76 1.19 0.00 0.42 0.00 0.00 41.96 40.70 1udd s TYR 66 CO 0.40 0.17 1.83 -0.35 0.64 0.00 0.00 175.55 178.24 1udd n PRO 67 N 0.26 0.82 -0.23 4.97 -0.04 -1.26 -4.86 135.00 134.65 1udd n PRO 67 Ca 0.02 -0.32 0.06 0.00 -0.04 0.00 0.00 63.50 63.22 1udd n PRO 67 Cb 0.52 -1.49 0.32 0.00 -0.04 0.00 0.00 33.50 32.80 1udd n PRO 67 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1udd h LEU 68 N 0.78 0.74 -0.97 1.53 5.85 -1.76 -0.78 115.31 120.71 1udd h LEU 68 Ca 0.00 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1udd h LEU 68 Cb 0.37 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1udd h LEU 68 CO 0.00 0.47 0.62 -0.03 -0.34 0.00 0.00 178.44 179.16 1udd h MET 69 N 0.84 1.11 -0.42 1.25 4.05 -1.14 0.43 114.93 121.05 1udd h MET 69 Ca 0.36 -0.07 -0.14 0.00 -0.28 0.00 0.00 59.70 59.57 1udd h MET 69 Cb 0.30 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 1udd h MET 69 CO -0.13 0.74 -0.26 0.00 0.23 0.00 0.00 176.91 177.48 1udd h ALA 70 N 1.43 0.60 -0.88 0.39 0.00 -1.44 -0.60 119.26 118.77 1udd h ALA 70 Ca 0.41 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1udd h ALA 70 Cb 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1udd h ALA 70 CO -0.16 0.62 0.49 1.49 0.00 0.00 0.00 179.25 181.69 1udd h GLU 71 N 0.76 1.21 -0.03 0.00 4.81 -0.65 -2.07 114.58 118.61 1udd h GLU 71 Ca 0.09 -0.13 -0.25 0.00 -0.13 0.00 0.00 59.36 58.93 1udd h GLU 71 Cb 0.84 -0.24 0.02 0.00 0.63 0.00 0.00 28.75 30.00 1udd h GLU 71 CO 0.07 0.88 -0.97 -0.07 -0.73 0.00 0.00 179.01 178.19 1udd h LEU 72 N 1.22 0.87 -1.26 1.64 4.07 -0.74 -3.00 115.31 118.12 1udd h LEU 72 Ca 0.31 -0.67 -0.07 0.00 0.08 0.00 0.00 57.88 57.53 1udd h LEU 72 Cb 0.01 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.47 1udd h LEU 72 CO -0.05 1.47 -0.29 -0.29 -1.08 0.00 0.00 178.44 178.20 1udd h ILE 73 N 0.41 1.24 -0.67 1.22 6.09 -0.98 -1.07 117.51 123.74 1udd h ILE 73 Ca -0.11 -1.12 -0.06 0.00 -1.37 0.00 0.00 64.86 62.20 1udd h ILE 73 Cb 1.62 1.51 -0.03 0.00 0.47 0.00 0.00 36.82 40.39 1udd h ILE 73 CO 0.19 0.33 0.17 -0.08 -3.07 0.00 0.00 178.15 175.69 1udd h GLU 74 N 0.12 1.08 -0.47 2.19 4.57 -1.38 0.25 114.58 120.93 1udd h GLU 74 Ca 0.02 -0.26 -0.13 0.00 -1.18 0.00 0.00 59.36 57.81 1udd h GLU 74 Cb 0.58 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1udd h GLU 74 CO 0.04 0.96 -0.21 1.25 -1.18 0.00 0.00 179.01 179.87 1udd h LEU 75 N 1.01 0.97 -0.46 1.64 5.85 -1.30 -0.16 115.31 122.85 1udd h LEU 75 Ca 0.21 -0.36 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 1udd h LEU 75 Cb 0.36 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1udd h LEU 75 CO 0.00 1.14 -0.13 0.00 -0.34 0.00 0.00 178.44 179.12 1udd h ALA 76 N 0.93 0.64 -0.40 1.25 0.00 -0.79 -2.18 119.26 118.71 1udd h ALA 76 Ca 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1udd h ALA 76 Cb 0.77 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1udd h ALA 76 CO 0.06 0.55 0.19 -0.09 0.00 0.00 0.00 179.25 179.96 1udd h ARG 77 N 0.74 0.57 -0.37 0.00 1.12 -0.31 -2.62 114.38 113.51 1udd h ARG 77 Ca 0.11 -0.08 -0.04 0.00 -1.11 0.00 0.00 59.98 58.86 1udd h ARG 77 Cb 0.68 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.52 1udd h ARG 77 CO 0.05 0.50 0.07 -0.44 -3.11 0.00 0.00 179.97 177.04 1udd h ASP 78 N 0.50 0.51 -0.68 -3.80 3.32 -0.93 -2.12 116.42 113.22 1udd h ASP 78 Ca 0.14 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.13 1udd h ASP 78 Cb 0.11 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1udd h ASP 78 CO -0.02 0.53 0.43 -0.33 -1.72 0.00 0.00 179.24 178.13 1udd h GLU 79 N 0.54 0.83 -0.62 3.56 4.39 -1.01 -0.97 114.58 121.30 1udd h GLU 79 Ca 0.12 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1udd h GLU 79 Cb 0.24 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1udd h GLU 79 CO -0.00 0.55 0.00 1.33 -1.16 0.00 0.00 179.01 179.73 1udd n VAL 80 N -4.66 1.17 0.00 3.13 0.24 -0.96 -3.29 118.33 113.96 1udd n VAL 80 Ca 0.07 -0.89 0.00 0.00 -2.04 0.00 0.00 64.34 61.47 1udd n VAL 80 Cb 0.06 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 1udd n VAL 80 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1udd n THR 81 N 1.08 0.00 -0.14 3.34 -2.24 -0.84 -4.61 114.28 110.87 1udd n THR 81 Ca 0.21 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.96 1udd n THR 81 Cb 0.64 -0.21 0.05 0.00 -2.10 0.00 0.00 70.33 68.71 1udd n THR 81 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1udd h VAL 82 N 0.00 0.65 -0.04 2.28 2.07 -1.73 -1.04 116.25 118.44 1udd h VAL 82 Ca 0.00 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 1udd h VAL 82 Cb 0.00 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1udd h VAL 82 CO 0.00 0.02 -0.51 -0.33 0.02 0.00 0.00 177.57 176.77 1udd h GLU 83 N 0.12 0.11 -0.27 1.57 4.39 -1.32 -1.76 114.58 117.42 1udd h GLU 83 Ca 0.23 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.75 1udd h GLU 83 Cb 0.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1udd h GLU 83 CO -0.37 0.60 -0.33 0.28 -1.16 0.00 0.00 179.01 178.02 1udd h VAL 84 N 0.09 1.29 -0.41 3.13 2.07 -1.41 0.13 116.25 121.13 1udd h VAL 84 Ca 0.00 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.04 1udd h VAL 84 Cb 0.94 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1udd h VAL 84 CO 0.07 0.46 0.13 -0.33 0.02 0.00 0.00 177.57 177.92 1udd h GLU 85 N 0.50 0.64 -0.48 1.57 5.08 -0.80 0.13 114.58 121.22 1udd h GLU 85 Ca 0.06 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1udd h GLU 85 Cb 0.81 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1udd h GLU 85 CO 0.07 0.64 0.05 -0.91 -1.00 0.00 0.00 179.01 177.85 1udd h ASN 86 N 0.52 0.78 -0.91 1.42 2.35 -1.17 -1.98 115.58 116.60 1udd h ASN 86 Ca 0.13 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1udd h ASN 86 Cb 0.26 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 1udd h ASN 86 CO -0.00 0.87 0.57 0.22 -1.65 0.00 0.00 177.43 177.43 1udd h TYR 87 N 0.67 1.17 -0.58 1.19 3.20 -0.47 -0.79 116.97 121.37 1udd h TYR 87 Ca 0.14 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 1udd h TYR 87 Cb 0.44 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1udd h TYR 87 CO 0.03 0.76 0.12 0.28 -1.64 0.00 0.00 178.16 177.71 1udd h VAL 88 N 1.24 1.25 -0.71 1.81 2.07 -0.48 0.56 116.25 122.00 1udd h VAL 88 Ca 0.33 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1udd h VAL 88 Cb -0.09 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1udd h VAL 88 CO -0.07 0.35 0.31 0.11 0.02 0.00 0.00 177.57 178.29 1udd h LYS 89 N 0.84 1.03 -0.18 1.57 1.57 -0.62 -0.24 116.57 120.54 1udd h LYS 89 Ca 0.18 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1udd h LYS 89 Cb 0.38 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1udd h LYS 89 CO 0.01 0.82 -0.05 1.25 -0.57 0.00 0.00 179.45 180.90 1udd h LEU 90 N 1.02 0.36 -1.18 2.94 5.85 -0.84 -2.49 115.31 120.97 1udd h LEU 90 Ca 0.24 -0.38 0.11 0.00 0.84 0.00 0.00 57.88 58.70 1udd h LEU 90 Cb 0.15 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 1udd h LEU 90 CO -0.03 0.65 0.59 -0.07 -0.34 0.00 0.00 178.44 179.24 1udd h LEU 91 N 0.06 0.80 0.45 2.25 3.38 -0.45 -2.45 115.31 119.34 1udd h LEU 91 Ca 0.04 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1udd h LEU 91 Cb 0.50 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1udd h LEU 91 CO 0.02 0.45 -0.21 0.50 0.09 0.00 0.00 178.44 179.28 1udd h LYS 92 N 0.87 -0.58 -0.83 1.13 3.64 -0.82 0.14 116.57 120.13 1udd h LYS 92 Ca 0.44 0.04 0.24 0.00 -1.27 0.00 0.00 60.65 60.10 1udd h LYS 92 Cb 0.48 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1udd h LYS 92 CO -0.20 -0.33 0.69 0.93 -2.27 0.00 0.00 179.45 178.26 1udd h GLU 93 N -0.69 0.00 -0.62 1.90 5.08 -0.99 0.65 114.58 119.90 1udd h GLU 93 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1udd h GLU 93 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1udd h GLU 93 CO 0.10 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.39 1udd n LEU 94 N -3.96 3.54 -3.54 1.33 4.77 -0.87 -4.94 117.00 113.33 1udd n LEU 94 Ca 0.17 -1.78 -0.20 0.00 -0.03 0.00 0.00 56.01 54.18 1udd n LEU 94 Cb 0.98 -0.45 0.07 0.00 -2.33 0.00 0.00 43.42 41.69 1udd n LEU 94 CO 0.34 0.77 0.09 0.47 -1.33 0.00 0.00 177.39 177.73 1udd n ASP 95 N 1.15 -2.63 -4.21 -1.43 8.00 0.23 -5.01 116.55 112.65 1udd n ASP 95 Ca 0.21 -0.66 -0.12 0.00 0.71 0.00 0.00 54.79 54.92 1udd n ASP 95 Cb 0.60 -4.80 -0.10 0.00 -0.02 0.00 0.00 41.12 36.80 1udd n ASP 95 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1udd s LEU 96 N -6.62 2.48 0.19 0.64 1.43 0.45 -5.02 118.68 112.22 1udd s LEU 96 Ca 0.12 -1.03 0.08 0.00 -1.03 0.00 0.00 54.13 52.28 1udd s LEU 96 Cb -0.06 -0.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.94 1udd s LEU 96 CO 0.75 -0.43 -0.16 0.42 0.23 0.00 0.00 176.35 177.16 1udd s THR 97 N -3.51 1.80 0.35 5.49 -4.23 -1.26 -3.39 115.64 110.89 1udd s THR 97 Ca 0.15 -2.07 0.12 0.00 -1.18 0.00 0.00 61.69 58.71 1udd s THR 97 Cb 0.04 -1.94 0.34 0.00 1.34 0.00 0.00 72.50 72.28 1udd s THR 97 CO -0.02 -0.45 1.79 0.25 -0.54 0.00 0.00 174.62 175.66 1udd h LEU 98 N 2.90 0.61 -0.61 4.79 6.46 -1.96 0.27 115.31 127.78 1udd h LEU 98 Ca -0.40 0.08 0.10 0.00 -0.12 0.00 0.00 57.88 57.54 1udd h LEU 98 Cb 1.22 -0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 41.04 1udd h LEU 98 CO 0.56 0.20 0.22 -0.33 -0.62 0.00 0.00 178.44 178.47 1udd h GLU 99 N 0.59 0.38 -0.69 1.25 5.08 -1.98 0.40 114.58 119.60 1udd h GLU 99 Ca 0.56 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1udd h GLU 99 Cb 1.11 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 1udd h GLU 99 CO -0.31 0.25 0.42 -0.44 -1.00 0.00 0.00 179.01 177.93 1udd h ASP 100 N 0.39 0.82 0.57 1.42 3.32 -0.87 -0.28 116.42 121.79 1udd h ASP 100 Ca 0.31 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 1udd h ASP 100 Cb 0.40 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.75 1udd h ASP 100 CO -0.32 0.64 -0.27 0.00 -1.72 0.00 0.00 179.24 177.56 1udd h ALA 101 N 1.22 -0.77 -0.87 3.45 0.00 -0.47 -1.57 119.26 120.25 1udd h ALA 101 Ca 0.25 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1udd h ALA 101 Cb -0.04 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1udd h ALA 101 CO -0.05 -0.88 0.57 0.82 0.00 0.00 0.00 179.25 179.71 1udd h ILE 102 N -0.87 0.83 -0.00 0.00 2.04 -0.16 -0.09 117.51 119.26 1udd h ILE 102 Ca -0.08 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1udd h ILE 102 Cb 0.63 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1udd h ILE 102 CO 0.13 0.12 -0.12 0.29 0.00 0.00 0.00 178.15 178.57 1udd n LYS 103 N -4.55 0.02 -2.15 2.37 5.02 -0.13 -4.87 118.16 113.87 1udd n LYS 103 Ca 0.17 -0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.04 1udd n LYS 103 Cb 0.48 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 1udd n LYS 103 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1udd s THR 104 N -2.98 3.11 -0.16 -0.18 2.01 -0.05 -4.97 115.64 112.41 1udd s THR 104 Ca 0.14 0.87 -0.29 0.00 0.31 0.00 0.00 61.69 62.71 1udd s THR 104 Cb 0.19 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.14 1udd s THR 104 CO 0.57 0.10 1.09 -0.70 -0.69 0.00 0.00 174.62 174.99 1udd s GLU 105 N 0.37 4.31 0.21 4.92 2.12 -1.26 -5.01 118.70 124.36 1udd s GLU 105 Ca 0.61 1.46 -0.30 0.00 0.36 0.00 0.00 54.97 57.10 1udd s GLU 105 Cb -0.38 -3.62 -0.08 0.00 0.26 0.00 0.00 34.13 30.30 1udd s GLU 105 CO 0.36 -0.53 1.14 -2.14 -0.54 0.00 0.00 175.26 173.54 1udd s PRO 106 N 2.80 4.57 1.09 4.30 0.02 -1.26 -5.01 135.00 141.51 1udd s PRO 106 Ca 0.48 1.80 -0.12 0.00 0.02 0.00 0.00 61.00 63.19 1udd s PRO 106 Cb -0.18 -3.24 0.24 0.00 0.02 0.00 0.00 34.50 31.34 1udd s PRO 106 CO 0.13 0.06 1.06 0.95 -0.33 0.00 0.00 177.00 178.86 1udd s THR 107 N -0.46 2.09 0.16 0.99 -4.23 -1.26 -4.74 115.64 108.18 1udd s THR 107 Ca 0.49 0.03 -0.15 0.00 -1.18 0.00 0.00 61.69 60.88 1udd s THR 107 Cb -0.31 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.38 1udd s THR 107 CO 0.38 -0.04 1.82 0.25 -0.54 0.00 0.00 174.62 176.49 1udd h LEU 108 N -2.35 0.52 -0.67 4.79 7.12 -1.97 -2.36 115.31 120.39 1udd h LEU 108 Ca -0.57 -0.02 0.10 0.00 0.13 0.00 0.00 57.88 57.51 1udd h LEU 108 Cb 1.32 -0.13 -0.07 0.00 -0.53 0.00 0.00 40.66 41.25 1udd h LEU 108 CO 0.51 0.39 0.29 0.58 -0.13 0.00 0.00 178.44 180.07 1udd h VAL 109 N 0.61 0.80 0.70 1.05 2.07 -1.97 0.25 116.25 119.77 1udd h VAL 109 Ca 0.16 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1udd h VAL 109 Cb -0.06 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1udd h VAL 109 CO -0.03 0.09 -0.41 -1.13 0.02 0.00 0.00 177.57 176.10 1udd h ASN 110 N 0.50 -1.03 -0.21 0.57 -0.73 -1.81 -0.20 115.58 112.67 1udd h ASN 110 Ca 0.33 0.05 0.06 0.00 1.87 0.00 0.00 56.30 58.62 1udd h ASN 110 Cb 0.39 0.30 -0.06 0.00 0.27 0.00 0.00 38.32 39.21 1udd h ASN 110 CO -0.29 -0.65 -0.22 0.28 -0.37 0.00 0.00 177.43 176.18 1udd h SER 111 N -1.04 -0.69 -0.32 1.15 0.02 -1.07 -1.43 113.55 110.16 1udd h SER 111 Ca -0.09 0.13 0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1udd h SER 111 Cb 0.84 0.33 -0.06 0.00 0.14 0.00 0.00 62.40 63.64 1udd h SER 111 CO 0.10 -0.26 -0.07 0.00 -1.14 0.00 0.00 176.83 175.47 1udd h ALA 112 N 0.82 0.23 -0.22 3.77 0.00 -0.86 0.38 119.26 123.38 1udd h ALA 112 Ca 0.13 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1udd h ALA 112 Cb 0.43 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1udd h ALA 112 CO -0.35 -0.45 0.11 -0.92 0.00 0.00 0.00 179.25 177.63 1udd h TYR 113 N 0.02 0.20 -0.70 0.00 3.20 -0.54 0.15 116.97 119.29 1udd h TYR 113 Ca 0.16 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1udd h TYR 113 Cb 0.23 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1udd h TYR 113 CO -0.29 0.11 0.40 0.52 -1.64 0.00 0.00 178.16 177.26 1udd h MET 114 N 0.23 0.97 -0.36 1.82 2.86 -0.91 -1.87 114.93 117.66 1udd h MET 114 Ca 0.09 -0.10 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 1udd h MET 114 Cb 0.02 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 1udd h MET 114 CO -0.06 0.70 -0.19 -0.44 1.06 0.00 0.00 176.91 177.98 1udd h ASP 115 N 0.98 0.67 -0.57 1.22 3.32 -0.06 -1.49 116.42 120.49 1udd h ASP 115 Ca 0.25 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1udd h ASP 115 Cb 0.01 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1udd h ASP 115 CO -0.04 0.86 0.29 0.15 -1.72 0.00 0.00 179.24 178.78 1udd h PHE 116 N 0.60 0.80 0.19 4.55 3.57 -0.22 0.28 116.94 126.71 1udd h PHE 116 Ca 0.09 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1udd h PHE 116 Cb 0.65 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1udd h PHE 116 CO 0.03 0.60 -0.09 0.52 -2.23 0.00 0.00 178.31 177.14 1udd h MET 117 N 0.77 -0.25 -0.24 1.11 2.86 -0.91 -0.49 114.93 117.78 1udd h MET 117 Ca 0.20 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 1udd h MET 117 Cb 0.08 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1udd h MET 117 CO -0.03 -0.14 0.08 1.25 1.06 0.00 0.00 176.91 179.14 1udd h LEU 118 N -0.29 0.35 -1.05 1.22 5.85 -1.11 -1.13 115.31 119.15 1udd h LEU 118 Ca -0.03 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.54 1udd h LEU 118 Cb 0.22 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1udd h LEU 118 CO 0.04 0.44 0.64 0.00 -0.34 0.00 0.00 178.44 179.23 1udd h ALA 119 N 0.92 1.37 -0.29 1.25 0.00 -0.39 -0.83 119.26 121.28 1udd h ALA 119 Ca 0.08 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1udd h ALA 119 Cb 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1udd h ALA 119 CO -0.00 0.54 -0.45 1.15 0.00 0.00 0.00 179.25 180.49 1udd h THR 120 N 1.24 1.29 -0.68 0.00 2.02 -0.85 -1.17 112.91 114.75 1udd h THR 120 Ca 0.39 -1.64 -0.05 0.00 0.77 0.00 0.00 66.41 65.88 1udd h THR 120 Cb 0.00 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1udd h THR 120 CO -0.12 0.53 0.24 0.00 0.37 0.00 0.00 175.52 176.54 1udd h ALA 121 N 0.88 1.13 -0.00 6.16 0.00 -0.76 -1.66 119.26 125.00 1udd h ALA 121 Ca 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1udd h ALA 121 Cb 1.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1udd h ALA 121 CO 0.10 0.61 -0.01 -0.92 0.00 0.00 0.00 179.25 179.03 1udd h TYR 122 N 1.00 0.01 0.00 0.00 5.03 -0.95 -3.35 116.97 118.72 1udd h TYR 122 Ca 0.23 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.45 1udd h TYR 122 Cb 0.25 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 1udd h TYR 122 CO 0.02 0.55 -0.44 1.57 -1.32 0.00 0.00 178.16 178.53 1udd h LYS 123 N -0.53 0.00 -6.21 1.82 2.10 -1.22 -3.47 116.57 109.06 1udd h LYS 123 Ca 0.00 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.14 1udd h LYS 123 Cb 0.55 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.85 1udd h LYS 123 CO 0.00 0.35 -0.30 0.20 -2.00 0.00 0.00 179.45 177.70 1udd s GLY 124 N -4.41 2.11 0.90 0.07 0.00 -0.63 -5.10 107.32 100.26 1udd s GLY 124 Ca 0.04 -1.75 -0.15 0.00 0.00 0.00 0.00 44.72 42.86 1udd s GLY 124 CO 0.73 -1.74 0.83 1.16 0.00 0.00 0.00 173.10 174.08 1udd n ASN 125 N -1.75 -1.63 -0.09 1.64 0.23 -1.26 -4.70 115.26 107.70 1udd n ASN 125 Ca 0.05 -1.03 -0.05 0.00 -0.53 0.00 0.00 54.58 53.01 1udd n ASN 125 Cb 0.62 -0.75 0.15 0.00 -2.08 0.00 0.00 39.78 37.72 1udd n ASN 125 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 1udd h ILE 126 N -2.34 1.25 -0.64 1.53 3.07 -1.92 -1.39 117.51 117.07 1udd h ILE 126 Ca -0.31 -1.07 -0.04 0.00 1.55 0.00 0.00 64.86 64.99 1udd h ILE 126 Cb 0.93 0.96 -0.03 0.00 -0.27 0.00 0.00 36.82 38.42 1udd h ILE 126 CO 0.20 0.37 0.25 0.40 -1.05 0.00 0.00 178.15 178.33 1udd h ILE 127 N 0.70 1.24 -0.50 0.16 1.08 -1.97 0.92 117.51 119.14 1udd h ILE 127 Ca 0.13 -0.74 -0.10 0.00 -0.39 0.00 0.00 64.86 63.76 1udd h ILE 127 Cb 0.51 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 1udd h ILE 127 CO 0.03 0.29 -0.08 -0.33 -0.69 0.00 0.00 178.15 177.37 1udd h GLU 128 N 0.90 0.91 0.06 2.37 5.08 -1.84 0.58 114.58 122.64 1udd h GLU 128 Ca 0.21 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1udd h GLU 128 Cb 0.21 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1udd h GLU 128 CO -0.02 0.96 -0.03 0.78 -1.00 0.00 0.00 179.01 179.70 1udd h GLY 129 N 0.97 -0.09 1.02 -3.84 0.00 -0.78 -2.17 103.07 98.18 1udd h GLY 129 Ca 0.14 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.51 1udd h GLY 129 CO 0.04 -0.03 0.67 1.41 0.00 0.00 0.00 176.54 178.62 1udd h LEU 130 N -0.28 1.15 -1.98 3.11 3.38 -0.73 -0.98 115.31 118.98 1udd h LEU 130 Ca -0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1udd h LEU 130 Cb 0.24 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1udd h LEU 130 CO 0.01 0.84 -0.04 0.74 0.09 0.00 0.00 178.44 180.08 1udd h THR 131 N 1.36 0.95 0.00 0.22 2.02 -0.70 0.18 112.91 116.95 1udd h THR 131 Ca 0.37 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1udd h THR 131 Cb -0.16 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1udd h THR 131 CO -0.08 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.85 1udd h ALA 132 N 1.96 1.00 0.00 6.16 0.00 -0.51 -3.02 119.26 124.84 1udd h ALA 132 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1udd h ALA 132 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1udd h ALA 132 CO 0.01 0.00 -1.00 1.28 0.00 0.00 0.00 179.25 179.54 1udd n LEU 133 N -2.32 0.68 -0.13 0.00 4.77 0.53 -4.58 117.00 115.95 1udd n LEU 133 Ca 0.03 -0.41 -0.10 0.00 -0.03 0.00 0.00 56.01 55.50 1udd n LEU 133 Cb 0.30 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1udd n LEU 133 CO 0.24 0.17 0.87 0.25 -1.33 0.00 0.00 177.39 177.59 1udd h LEU 134 N 0.00 0.57 -0.99 2.23 5.85 -1.10 -2.32 115.31 119.56 1udd h LEU 134 Ca 0.00 -0.22 0.13 0.00 0.84 0.00 0.00 57.88 58.63 1udd h LEU 134 Cb 0.48 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.28 1udd h LEU 134 CO 0.00 0.65 0.61 -0.65 -0.34 0.00 0.00 178.44 178.71 1udd h PRO 135 N 0.47 0.92 0.07 5.25 0.11 -1.81 0.34 132.00 137.35 1udd h PRO 135 Ca 0.12 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 1udd h PRO 135 Cb 0.29 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 1udd h PRO 135 CO -0.00 0.61 -0.05 0.00 -0.21 0.00 0.00 178.00 178.34 1udd h PHE 137 N -0.12 0.16 -0.03 0.00 -1.00 -1.16 -3.09 116.94 111.70 1udd h PHE 137 Ca -0.01 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 1udd h PHE 137 Cb 0.10 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 39.63 1udd h PHE 137 CO -0.01 0.06 -0.01 2.35 -1.61 0.00 0.00 178.31 179.09 1udd h TRP 138 N 0.22 0.07 -0.57 -0.55 7.01 -0.37 -3.22 115.95 118.53 1udd h TRP 138 Ca 0.14 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.14 1udd h TRP 138 Cb 0.13 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.14 1udd h TRP 138 CO -0.15 0.45 0.38 0.66 -2.79 0.00 0.00 178.44 176.98 1udd h SER 139 N -0.33 0.62 -0.15 2.65 4.64 -1.14 -1.09 113.55 118.75 1udd h SER 139 Ca 0.01 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 1udd h SER 139 Cb 0.43 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1udd h SER 139 CO 0.00 0.44 -0.07 1.88 -0.87 0.00 0.00 176.83 178.21 1udd h TYR 140 N 0.73 0.50 -0.03 4.77 -1.99 -1.57 0.12 116.97 119.51 1udd h TYR 140 Ca 0.22 -0.06 -0.21 0.00 2.00 0.00 0.00 58.73 60.67 1udd h TYR 140 Cb -0.03 -0.14 0.02 0.00 2.00 0.00 0.00 36.73 38.58 1udd h TYR 140 CO -0.00 0.55 -0.80 0.00 -0.00 0.00 0.00 178.16 177.91 1udd h ALA 141 N 1.48 0.14 -0.46 3.88 0.00 -1.39 -2.95 119.26 119.96 1udd h ALA 141 Ca 0.09 -0.62 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 1udd h ALA 141 Cb 0.41 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1udd h ALA 141 CO 0.02 0.53 -0.05 0.93 0.00 0.00 0.00 179.25 180.69 1udd h GLU 142 N 0.21 0.78 -0.19 0.00 4.39 -0.89 -0.80 114.58 118.08 1udd h GLU 142 Ca -0.09 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.37 1udd h GLU 142 Cb 1.47 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 1udd h GLU 142 CO 0.16 0.82 0.09 0.82 -1.16 0.00 0.00 179.01 179.74 1udd h ILE 143 N 0.72 1.13 -0.29 3.13 2.04 -0.82 0.19 117.51 123.61 1udd h ILE 143 Ca 0.13 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1udd h ILE 143 Cb 0.51 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1udd h ILE 143 CO 0.03 0.12 0.15 0.00 0.00 0.00 0.00 178.15 178.45 1udd h ALA 144 N 0.96 0.37 -0.60 1.87 0.00 -1.32 -0.54 119.26 120.00 1udd h ALA 144 Ca 0.07 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1udd h ALA 144 Cb 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1udd h ALA 144 CO -0.01 -0.09 0.32 1.49 0.00 0.00 0.00 179.25 180.96 1udd h GLU 145 N 0.35 0.57 -0.81 0.00 4.57 -0.98 0.29 114.58 118.57 1udd h GLU 145 Ca 0.10 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1udd h GLU 145 Cb 0.08 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 1udd h GLU 145 CO -0.02 0.38 0.51 -0.92 -1.18 0.00 0.00 179.01 177.78 1udd h TYR 146 N 0.59 1.05 -0.34 0.92 3.20 -0.00 -2.82 116.97 119.57 1udd h TYR 146 Ca 0.27 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 1udd h TYR 146 Cb 0.19 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 1udd h TYR 146 CO -0.10 0.68 0.01 0.72 -1.64 0.00 0.00 178.16 177.84 1udd n HIS 147 N -4.39 1.22 -0.28 -3.82 8.25 -0.27 -4.77 115.22 111.16 1udd n HIS 147 Ca 0.09 -0.94 -0.03 0.00 -0.26 0.00 0.00 57.72 56.59 1udd n HIS 147 Cb 0.05 -0.38 0.03 0.00 1.12 0.00 0.00 29.99 30.81 1udd n HIS 147 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1udd h LYS 148 N 2.09 -0.08 -0.12 -0.41 3.64 -0.17 -0.95 116.57 120.57 1udd h LYS 148 Ca 0.04 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1udd h LYS 148 Cb 1.60 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.43 1udd h LYS 148 CO 0.31 -0.05 0.07 0.38 -2.27 0.00 0.00 179.45 177.89 1udd h ASP 149 N -0.08 0.14 -0.63 4.20 2.03 -1.86 -1.97 116.42 118.25 1udd h ASP 149 Ca 0.30 -0.03 0.05 0.00 -0.73 0.00 0.00 57.03 56.62 1udd h ASP 149 Cb 0.58 -0.04 -0.04 0.00 -0.83 0.00 0.00 39.33 39.00 1udd h ASP 149 CO -0.82 0.13 0.42 0.11 -1.03 0.00 0.00 179.24 178.05 1udd h LYS 150 N 0.14 0.65 0.18 4.15 1.57 -1.65 -2.73 116.57 118.88 1udd h LYS 150 Ca 0.04 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1udd h LYS 150 Cb 0.01 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1udd h LYS 150 CO -0.01 0.43 -0.09 1.25 -0.57 0.00 0.00 179.45 180.47 1udd h LEU 151 N 0.67 -0.21 0.00 2.94 6.46 -0.78 -0.92 115.31 123.47 1udd h LEU 151 Ca 0.26 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1udd h LEU 151 Cb 0.19 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1udd h LEU 151 CO -0.08 0.17 0.00 -2.11 -0.62 0.00 0.00 178.44 175.80 1udd n ARG 152 N -5.04 0.00 0.00 1.25 1.85 -0.78 -0.57 116.66 113.37 1udd n ARG 152 Ca -0.09 0.12 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 1udd n ARG 152 Cb 0.24 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 1udd n ARG 152 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1udd n ASP 153 N -1.12 1.12 -4.70 2.89 -0.08 -0.99 -5.06 116.55 108.61 1udd n ASP 153 Ca 0.00 -1.54 -0.42 0.00 -1.51 0.00 0.00 54.79 51.32 1udd n ASP 153 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1udd n ASP 153 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1udd s ASN 154 N -0.54 6.84 0.28 1.67 3.84 0.26 -4.94 114.94 122.35 1udd s ASN 154 Ca 0.00 2.23 -0.01 0.00 0.21 0.00 0.00 52.86 55.28 1udd s ASN 154 Cb 0.00 -2.57 0.39 0.00 -0.55 0.00 0.00 41.25 38.51 1udd s ASN 154 CO 0.00 -0.69 1.82 -0.65 -2.79 0.00 0.00 177.10 174.79 1udd h PRO 155 N 7.36 0.84 -6.43 0.43 0.11 -1.89 -3.43 132.00 128.99 1udd h PRO 155 Ca -0.40 -0.17 -0.58 0.00 0.11 0.00 0.00 66.00 64.96 1udd h PRO 155 Cb 1.20 -0.12 -0.09 0.00 0.11 0.00 0.00 31.00 32.09 1udd h PRO 155 CO 0.88 0.76 0.78 0.42 -0.21 0.00 0.00 178.00 180.64 1udd s ILE 156 N -5.21 4.29 0.28 4.15 1.01 -1.26 -4.95 121.20 119.51 1udd s ILE 156 Ca -0.10 0.94 0.02 0.00 0.00 0.00 0.00 60.65 61.50 1udd s ILE 156 Cb 0.15 -4.56 0.26 0.00 0.01 0.00 0.00 42.46 38.33 1udd s ILE 156 CO 0.80 -1.00 1.76 0.50 0.00 0.00 0.00 174.94 176.99 1udd h LYS 157 N 9.23 0.61 -0.55 2.79 3.64 -2.00 -1.60 116.57 128.69 1udd h LYS 157 Ca -0.24 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1udd h LYS 157 Cb 1.07 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 1udd h LYS 157 CO 1.10 0.40 0.29 0.82 -2.27 0.00 0.00 179.45 179.79 1udd h ILE 158 N 0.63 1.19 -0.68 2.00 2.04 -1.98 -0.14 117.51 120.57 1udd h ILE 158 Ca 0.51 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1udd h ILE 158 Cb 0.78 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1udd h ILE 158 CO -0.39 0.21 0.24 1.88 0.00 0.00 0.00 178.15 180.09 1udd h TYR 159 N 0.75 1.05 -0.24 1.37 0.05 -1.69 -0.77 116.97 117.49 1udd h TYR 159 Ca 0.19 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 1udd h TYR 159 Cb 0.08 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.50 1udd h TYR 159 CO -0.01 0.82 0.04 0.00 -1.05 0.00 0.00 178.16 177.96 1udd h ARG 160 N 1.00 0.40 0.12 4.88 3.08 -0.74 0.02 114.38 123.14 1udd h ARG 160 Ca 0.23 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1udd h ARG 160 Cb 0.24 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1udd h ARG 160 CO -0.01 0.54 -0.10 0.93 -1.07 0.00 0.00 179.97 180.25 1udd h GLU 161 N 0.20 -0.23 -0.48 0.04 5.08 -0.86 -1.36 114.58 116.98 1udd h GLU 161 Ca 0.07 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1udd h GLU 161 Cb 0.33 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.54 1udd h GLU 161 CO 0.01 -0.15 -0.13 2.35 -1.00 0.00 0.00 179.01 180.09 1udd h TRP 162 N -0.24 -0.27 -0.33 4.33 7.01 -0.98 -2.97 115.95 122.50 1udd h TRP 162 Ca -0.00 0.04 -0.09 0.00 2.11 0.00 0.00 58.89 60.96 1udd h TRP 162 Cb 0.22 0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.46 1udd h TRP 162 CO -0.11 -0.21 -0.14 0.78 -2.79 0.00 0.00 178.44 175.97 1udd h GLY 163 N -0.01 0.73 0.88 2.65 0.00 -0.71 -3.23 103.07 103.39 1udd h GLY 163 Ca 0.23 -0.65 0.13 0.00 0.00 0.00 0.00 47.33 47.05 1udd h GLY 163 CO -0.50 0.59 0.43 0.50 0.00 0.00 0.00 176.54 177.56 1udd h LYS 164 N 0.45 0.00 -1.00 4.80 1.57 -1.08 -1.76 116.57 119.55 1udd h LYS 164 Ca 0.08 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.95 1udd h LYS 164 Cb 0.66 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.90 1udd h LYS 164 CO 0.04 0.00 0.64 0.28 -0.57 0.00 0.00 179.45 179.84 1udd h VAL 165 N 0.00 1.00 0.00 0.50 2.07 -1.59 -2.01 116.25 116.21 1udd h VAL 165 Ca 0.22 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1udd h VAL 165 Cb 1.08 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1udd h VAL 165 CO -0.00 0.20 0.00 -1.22 0.02 0.00 0.00 177.57 176.56 1udd n TYR 166 N -4.56 0.38 0.88 1.57 4.02 -0.66 -3.01 117.16 115.77 1udd n TYR 166 Ca 0.17 0.13 0.11 0.00 -0.01 0.00 0.00 57.90 58.30 1udd n TYR 166 Cb 0.28 -0.70 0.03 0.00 -0.02 0.00 0.00 39.34 38.92 1udd n TYR 166 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1udd n LEU 167 N -1.82 0.72 -4.72 7.72 7.99 -0.77 -4.60 117.00 121.52 1udd n LEU 167 Ca 0.05 -0.22 -0.35 0.00 -0.01 0.00 0.00 56.01 55.48 1udd n LEU 167 Cb 0.30 -0.10 0.09 0.00 -0.11 0.00 0.00 43.42 43.60 1udd n LEU 167 CO 0.23 0.16 0.83 -0.94 -1.51 0.00 0.00 177.39 176.16 1udd s SER 168 N -3.25 4.16 0.30 -1.43 1.04 -1.16 -4.85 113.70 108.52 1udd s SER 168 Ca 0.08 2.46 0.02 0.00 0.48 0.00 0.00 55.95 58.99 1udd s SER 168 Cb 0.16 -2.60 0.47 0.00 0.10 0.00 0.00 66.02 64.15 1udd s SER 168 CO 0.80 -2.29 1.78 0.78 0.98 0.00 0.00 173.24 175.29 1udd h ASN 169 N -0.16 0.54 -0.32 7.02 2.35 -1.93 -1.57 115.58 121.51 1udd h ASN 169 Ca -0.48 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.10 1udd h ASN 169 Cb 1.31 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.52 1udd h ASN 169 CO 0.50 0.69 0.12 -0.33 -1.65 0.00 0.00 177.43 176.75 1udd h GLU 170 N 0.51 0.48 -0.47 0.81 3.07 -1.94 0.43 114.58 117.47 1udd h GLU 170 Ca 0.09 -0.09 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 1udd h GLU 170 Cb 0.51 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 1udd h GLU 170 CO 0.03 0.50 -0.05 -0.92 -1.40 0.00 0.00 179.01 177.17 1udd h TYR 171 N 0.36 0.95 -0.47 4.33 3.20 -1.78 -1.28 116.97 122.29 1udd h TYR 171 Ca 0.10 -0.18 -0.06 0.00 3.14 0.00 0.00 58.73 61.73 1udd h TYR 171 Cb 0.20 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1udd h TYR 171 CO -0.00 0.92 0.03 -0.07 -1.64 0.00 0.00 178.16 177.41 1udd h LEU 172 N 0.71 0.71 -0.62 2.82 3.38 -1.09 -2.14 115.31 119.07 1udd h LEU 172 Ca 0.13 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1udd h LEU 172 Cb 0.58 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1udd h LEU 172 CO 0.03 0.75 -0.64 0.78 0.09 0.00 0.00 178.44 179.46 1udd h ASN 173 N 0.71 0.24 -0.04 -0.43 -0.26 0.13 -1.53 115.58 114.39 1udd h ASN 173 Ca 0.15 -0.14 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1udd h ASN 173 Cb 0.39 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.58 1udd h ASN 173 CO 0.01 0.81 0.01 0.25 -1.06 0.00 0.00 177.43 177.45 1udd h LEU 174 N 0.15 0.06 -0.89 1.61 5.85 -0.89 -0.05 115.31 121.15 1udd h LEU 174 Ca -0.01 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1udd h LEU 174 Cb 1.16 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 1udd h LEU 174 CO 0.10 0.31 0.56 0.58 -0.34 0.00 0.00 178.44 179.65 1udd h VAL 175 N -0.19 1.24 -0.28 1.05 2.07 -1.38 -0.89 116.25 117.86 1udd h VAL 175 Ca 0.01 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1udd h VAL 175 Cb 0.27 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 1udd h VAL 175 CO 0.00 0.24 0.01 1.23 0.02 0.00 0.00 177.57 179.07 1udd h GLY 176 N 1.21 0.29 1.04 2.17 0.00 -0.96 -0.73 103.07 106.09 1udd h GLY 176 Ca 0.32 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1udd h GLY 176 CO -0.07 -0.05 0.62 3.21 0.00 0.00 0.00 176.54 180.25 1udd h ARG 177 N 0.10 1.29 -0.80 4.80 3.08 -0.40 -0.48 114.38 121.98 1udd h ARG 177 Ca 0.14 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 1udd h ARG 177 Cb 0.17 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 1udd h ARG 177 CO -0.22 0.87 0.31 -0.07 -1.07 0.00 0.00 179.97 179.80 1udd h LEU 178 N 1.32 1.11 -0.91 3.04 3.38 -0.35 -1.71 115.31 121.19 1udd h LEU 178 Ca 0.35 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 1udd h LEU 178 Cb -0.11 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.34 1udd h LEU 178 CO -0.07 0.98 -0.38 0.03 0.09 0.00 0.00 178.44 179.09 1udd h ARG 179 N 1.16 0.33 -0.48 1.13 3.08 -0.58 -2.41 114.38 116.61 1udd h ARG 179 Ca 0.26 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1udd h ARG 179 Cb 0.23 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1udd h ARG 179 CO -0.02 0.66 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.32 1udd h LYS 180 N 0.28 0.84 -0.01 0.04 3.64 -0.62 0.29 116.57 121.03 1udd h LYS 180 Ca 0.03 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1udd h LYS 180 Cb 0.80 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1udd h LYS 180 CO 0.06 0.89 0.01 0.82 -2.27 0.00 0.00 179.45 178.96 1udd h ILE 181 N 0.70 1.06 -0.79 2.00 2.04 -1.17 -0.67 117.51 120.68 1udd h ILE 181 Ca 0.13 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1udd h ILE 181 Cb 0.51 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1udd h ILE 181 CO 0.02 0.05 0.40 0.40 0.00 0.00 0.00 178.15 179.02 1udd h ILE 182 N -0.06 1.24 0.00 -0.67 2.04 -1.26 -2.90 117.51 115.91 1udd h ILE 182 Ca 0.00 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1udd h ILE 182 Cb 0.07 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1udd h ILE 182 CO -0.00 0.28 0.00 0.44 0.00 0.00 0.00 178.15 178.87 1udd h ASP 183 N 1.11 0.00 -0.22 1.72 3.32 -0.10 -2.76 116.42 119.49 1udd h ASP 183 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1udd h ASP 183 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1udd h ASP 183 CO -0.04 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.94 1udd n SER 184 N -3.04 1.53 -3.83 6.45 3.41 -0.28 -4.80 113.62 113.06 1udd n SER 184 Ca 0.01 -1.82 -0.20 0.00 -0.26 0.00 0.00 58.87 56.60 1udd n SER 184 Cb 0.33 -0.14 0.12 0.00 -0.26 0.00 0.00 64.21 64.25 1udd n SER 184 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1udd n SER 185 N 0.28 0.73 -4.69 4.04 3.41 -1.04 -5.05 113.62 111.29 1udd n SER 185 Ca 0.13 -1.72 -0.35 0.00 -0.26 0.00 0.00 58.87 56.67 1udd n SER 185 Cb 0.28 -0.61 0.10 0.00 -0.26 0.00 0.00 64.21 63.72 1udd n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1udd n GLY 186 N -1.30 0.12 0.18 5.00 0.00 -1.26 -4.94 105.19 102.99 1udd n GLY 186 Ca 0.13 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.88 1udd n GLY 186 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1udd h HIS 187 N -0.26 0.00 -3.05 1.61 2.76 -1.96 -3.46 115.15 110.79 1udd h HIS 187 Ca -0.48 0.00 -0.46 0.00 -2.20 0.00 0.00 60.37 57.23 1udd h HIS 187 Cb 1.32 0.00 0.11 0.00 1.55 0.00 0.00 27.41 30.39 1udd h HIS 187 CO 0.43 0.34 0.24 -1.54 -1.30 0.00 0.00 177.93 176.09 1udd s SER 188 N -6.33 3.97 -1.19 3.26 1.04 -1.26 -4.30 113.70 108.89 1udd s SER 188 Ca 0.03 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1udd s SER 188 Cb 0.09 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1udd s SER 188 CO 0.69 -2.14 0.00 0.61 0.98 0.00 0.00 173.24 173.38 1udd n GLY 189 N -3.18 1.21 0.26 7.32 0.00 -1.26 -4.90 105.19 104.64 1udd n GLY 189 Ca 0.14 -0.33 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 1udd n GLY 189 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1udd h TYR 190 N 0.00 0.83 -0.96 1.61 3.20 -1.91 -2.91 116.97 116.83 1udd h TYR 190 Ca -0.23 0.02 0.17 0.00 3.14 0.00 0.00 58.73 61.83 1udd h TYR 190 Cb 0.84 -0.28 -0.09 0.00 1.54 0.00 0.00 36.73 38.74 1udd h TYR 190 CO 0.38 0.52 0.61 -0.44 -1.64 0.00 0.00 178.16 177.59 1udd h ASP 191 N 0.90 0.71 -0.44 -2.11 3.32 -1.95 0.18 116.42 117.04 1udd h ASP 191 Ca 0.25 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 1udd h ASP 191 Cb -0.10 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1udd h ASP 191 CO -0.06 0.31 0.07 0.08 -1.72 0.00 0.00 179.24 177.93 1udd h ARG 192 N 0.73 0.72 -0.63 3.56 0.11 -1.92 -2.07 114.38 114.88 1udd h ARG 192 Ca 0.51 -0.19 -0.00 0.00 0.10 0.00 0.00 59.98 60.40 1udd h ARG 192 Cb 0.82 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 31.79 1udd h ARG 192 CO -0.27 0.75 0.39 -0.07 0.10 0.00 0.00 179.97 180.87 1udd h LEU 193 N 0.58 0.75 0.04 0.08 4.07 -0.97 -1.49 115.31 118.37 1udd h LEU 193 Ca 0.13 -0.05 0.01 0.00 0.08 0.00 0.00 57.88 58.06 1udd h LEU 193 Cb 0.38 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.91 1udd h LEU 193 CO 0.01 0.58 -0.11 -0.09 -1.08 0.00 0.00 178.44 177.74 1udd h ARG 194 N 0.86 -0.20 -0.85 1.13 2.43 -0.49 0.10 114.38 117.37 1udd h ARG 194 Ca 0.23 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1udd h ARG 194 Cb -0.05 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1udd h ARG 194 CO -0.04 -0.13 0.48 0.00 -1.51 0.00 0.00 179.97 178.76 1udd h ARG 195 N -0.21 1.17 -0.21 0.20 3.08 -1.18 0.82 114.38 118.05 1udd h ARG 195 Ca 0.03 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1udd h ARG 195 Cb 0.24 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1udd h ARG 195 CO -0.08 0.85 0.09 0.82 -1.07 0.00 0.00 179.97 180.57 1udd h ILE 196 N 1.17 1.16 -0.73 2.04 2.04 -0.90 -0.54 117.51 121.75 1udd h ILE 196 Ca 0.30 -0.48 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 1udd h ILE 196 Cb 0.01 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1udd h ILE 196 CO -0.05 0.16 0.20 0.15 0.00 0.00 0.00 178.15 178.61 1udd h PHE 197 N 0.20 1.20 -0.30 1.37 3.57 -0.50 -1.03 116.94 121.45 1udd h PHE 197 Ca 0.07 -0.13 -0.12 0.00 3.53 0.00 0.00 57.97 61.32 1udd h PHE 197 Cb 0.17 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1udd h PHE 197 CO -0.01 0.96 -0.30 0.82 -2.23 0.00 0.00 178.31 177.55 1udd h ILE 198 N 1.10 1.28 -0.32 1.41 2.04 -0.69 -1.30 117.51 121.02 1udd h ILE 198 Ca 0.23 -1.41 -0.02 0.00 1.00 0.00 0.00 64.86 64.66 1udd h ILE 198 Cb 0.34 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1udd h ILE 198 CO -0.00 0.46 0.12 0.74 0.00 0.00 0.00 178.15 179.46 1udd h THR 199 N 0.54 1.19 -0.57 -0.27 2.02 -0.79 -1.02 112.91 114.02 1udd h THR 199 Ca 0.07 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1udd h THR 199 Cb 0.79 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1udd h THR 199 CO 0.06 0.21 0.26 1.23 0.37 0.00 0.00 175.52 177.65 1udd h GLY 200 N 0.36 0.86 1.10 2.16 0.00 -1.00 -1.20 103.07 105.35 1udd h GLY 200 Ca 0.10 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 1udd h GLY 200 CO -0.01 0.39 -0.18 1.76 0.00 0.00 0.00 176.54 178.50 1udd h SER 201 N 0.80 1.02 -0.57 0.19 0.02 -0.92 -1.64 113.55 112.44 1udd h SER 201 Ca 0.20 -0.38 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 1udd h SER 201 Cb 0.10 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1udd h SER 201 CO -0.02 1.17 0.19 0.11 -1.14 0.00 0.00 176.83 177.14 1udd h LYS 202 N 0.86 0.89 -0.96 3.45 1.57 -0.62 -2.14 116.57 119.62 1udd h LYS 202 Ca 0.12 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1udd h LYS 202 Cb 0.76 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.89 1udd h LYS 202 CO 0.06 0.79 0.62 0.74 -0.57 0.00 0.00 179.45 181.09 1udd h PHE 203 N 0.80 1.22 -0.43 -1.35 0.04 -1.04 0.11 116.94 116.30 1udd h PHE 203 Ca 0.19 0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.00 1udd h PHE 203 Cb 0.27 -0.41 -0.03 0.00 2.20 0.00 0.00 35.95 37.98 1udd h PHE 203 CO 0.02 0.78 0.25 0.93 -0.60 0.00 0.00 178.31 179.69 1udd h GLU 204 N 1.31 0.48 -0.46 1.51 4.39 -0.90 0.35 114.58 121.26 1udd h GLU 204 Ca 0.35 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.99 1udd h GLU 204 Cb -0.12 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.40 1udd h GLU 204 CO -0.07 0.32 0.15 1.25 -1.16 0.00 0.00 179.01 179.50 1udd h LEU 205 N 0.50 0.66 -1.29 1.33 5.85 -0.85 -2.34 115.31 119.17 1udd h LEU 205 Ca 0.17 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1udd h LEU 205 Cb 0.02 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1udd h LEU 205 CO -0.09 0.68 0.26 0.00 -0.34 0.00 0.00 178.44 178.96 1udd h ALA 206 N 1.00 1.45 -0.42 1.25 0.00 -0.27 -0.95 119.26 121.33 1udd h ALA 206 Ca 0.15 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1udd h ALA 206 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1udd h ALA 206 CO -0.01 0.44 0.08 0.35 0.00 0.00 0.00 179.25 180.11 1udd h PHE 207 N 0.75 0.73 -0.62 0.00 3.57 0.15 0.21 116.94 121.74 1udd h PHE 207 Ca 0.19 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1udd h PHE 207 Cb 0.07 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1udd h PHE 207 CO 0.01 0.70 0.10 -1.49 -2.23 0.00 0.00 178.31 175.39 1udd h TRP 208 N 0.55 1.09 -0.61 0.41 4.06 -0.96 -1.56 115.95 118.92 1udd h TRP 208 Ca 0.13 -0.15 0.01 0.00 2.06 0.00 0.00 58.89 60.94 1udd h TRP 208 Cb 0.36 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.19 1udd h TRP 208 CO 0.02 0.93 0.39 1.49 -3.56 0.00 0.00 178.44 177.72 1udd h GLU 209 N 0.93 0.77 0.00 0.49 4.57 -0.82 0.14 114.58 120.66 1udd h GLU 209 Ca 0.19 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.23 1udd h GLU 209 Cb 0.43 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1udd h GLU 209 CO 0.01 0.51 -0.42 0.00 -1.18 0.00 0.00 179.01 177.93 1udd h MET 210 N 0.79 0.00 -0.05 1.92 -0.00 -0.78 0.44 114.93 117.25 1udd h MET 210 Ca 0.23 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.79 1udd h MET 210 Cb -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.53 1udd h MET 210 CO -0.07 0.42 -0.61 0.00 -0.00 0.00 0.00 176.91 176.66 1udd h ALA 211 N 1.58 0.89 -0.15 -3.00 0.00 -0.34 0.17 119.26 118.41 1udd h ALA 211 Ca -0.00 -0.55 -0.20 0.00 0.00 0.00 0.00 54.91 54.15 1udd h ALA 211 Cb 0.92 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1udd h ALA 211 CO 0.06 0.74 -0.71 2.35 0.00 0.00 0.00 179.25 181.69 1udd h TRP 212 N 0.12 0.99 0.00 0.00 2.91 -0.08 -3.20 115.95 116.69 1udd h TRP 212 Ca -0.01 -0.44 -0.04 0.00 1.13 0.00 0.00 58.89 59.53 1udd h TRP 212 Cb 1.10 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.60 1udd h TRP 212 CO 0.02 1.26 -0.21 0.00 -1.03 0.00 0.00 178.44 178.48 1udd h ARG 213 N 0.44 0.00 -2.10 2.65 3.08 -0.82 -3.47 114.38 114.15 1udd h ARG 213 Ca -0.05 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.80 1udd h ARG 213 Cb 1.34 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.41 1udd h ARG 213 CO 0.15 0.21 -0.28 0.41 -1.07 0.00 0.00 179.97 179.38 1udd n GLY 214 N 0.85 0.05 0.00 0.04 0.00 0.56 -5.07 105.19 101.62 1udd n GLY 214 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1udd n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93