#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2csh s SER 2 N 0.00 -0.12 0.03 1.61 1.04 -1.26 -5.19 113.70 109.81 2csh s SER 2 Ca 0.00 -0.14 -0.27 0.00 0.48 0.00 0.00 55.95 56.02 2csh s SER 2 Cb 0.00 0.23 0.09 0.00 0.10 0.00 0.00 66.02 66.45 2csh s SER 2 CO 0.00 -0.41 1.23 -0.55 0.98 0.00 0.00 173.24 174.49 2csh s SER 3 N -2.73 -0.01 0.14 7.02 0.15 -1.26 -5.19 113.70 111.82 2csh s SER 3 Ca 0.12 -0.30 -0.24 0.00 0.70 0.00 0.00 55.95 56.23 2csh s SER 3 Cb 0.02 0.23 0.07 0.00 -1.71 0.00 0.00 66.02 64.63 2csh s SER 3 CO -0.03 -0.45 0.64 -0.83 1.20 0.00 0.00 173.24 173.77 2csh s GLY 4 N -3.58 -0.60 0.03 9.45 0.00 -1.26 -5.18 107.32 106.18 2csh s GLY 4 Ca 0.25 0.57 -0.26 0.00 0.00 0.00 0.00 44.72 45.28 2csh s GLY 4 CO 0.00 0.19 0.60 -0.45 0.00 0.00 0.00 173.10 173.44 2csh s SER 5 N -2.71 -0.56 0.47 1.64 0.15 -1.26 -5.19 113.70 106.25 2csh s SER 5 Ca 0.02 0.37 0.02 0.00 0.70 0.00 0.00 55.95 57.06 2csh s SER 5 Cb -0.01 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.82 2csh s SER 5 CO -0.12 -0.72 0.08 -0.55 1.20 0.00 0.00 173.24 173.12 2csh s SER 6 N -1.79 3.50 0.37 5.45 0.15 -1.26 -5.17 113.70 114.95 2csh s SER 6 Ca -0.07 -1.71 -0.16 0.00 0.70 0.00 0.00 55.95 54.71 2csh s SER 6 Cb -0.01 0.62 0.05 0.00 -1.71 0.00 0.00 66.02 64.97 2csh s SER 6 CO 0.01 -0.95 0.77 -0.83 1.20 0.00 0.00 173.24 173.44 2csh s GLY 7 N -3.76 0.32 0.47 9.45 0.00 -1.26 -5.19 107.32 107.35 2csh s GLY 7 Ca 0.12 -0.70 0.04 0.00 0.00 0.00 0.00 44.72 44.18 2csh s GLY 7 CO 0.08 -0.29 0.01 0.99 0.00 0.00 0.00 173.10 173.89 2csh s ASP 8 N -3.05 4.04 0.23 1.64 1.01 -1.26 -5.15 116.67 114.13 2csh s ASP 8 Ca 0.15 -1.53 -0.00 0.00 0.71 0.00 0.00 52.55 51.88 2csh s ASP 8 Cb -0.05 0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.97 2csh s ASP 8 CO 0.11 -0.69 0.42 -0.54 0.21 0.00 0.00 175.17 174.68 2csh s LYS 9 N -3.81 3.51 0.17 8.23 3.01 -1.26 -5.12 119.74 124.48 2csh s LYS 9 Ca 0.18 -0.37 -0.07 0.00 -1.01 0.00 0.00 55.97 54.71 2csh s LYS 9 Cb 0.05 -2.81 -0.02 0.00 -1.01 0.00 0.00 37.83 34.04 2csh s LYS 9 CO 0.09 0.35 0.24 -0.51 0.51 0.00 0.00 175.35 176.04 2csh s LEU 10 N -3.56 1.06 -0.12 3.17 1.43 -1.26 -4.29 118.68 115.12 2csh s LEU 10 Ca 0.38 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 2csh s LEU 10 Cb -0.11 0.96 0.02 0.00 0.03 0.00 0.00 46.19 47.10 2csh s LEU 10 CO 0.30 -0.89 -0.10 -0.31 0.23 0.00 0.00 176.35 175.58 2csh s TYR 11 N -4.02 1.73 -0.07 0.29 1.51 0.31 -4.90 117.35 112.20 2csh s TYR 11 Ca 0.23 -0.90 -0.30 0.00 -1.01 0.00 0.00 57.07 55.09 2csh s TYR 11 Cb 0.04 -1.35 -0.05 0.00 -0.11 0.00 0.00 41.96 40.49 2csh s TYR 11 CO 0.04 -0.55 1.50 -1.25 -1.11 0.00 0.00 175.55 174.18 2csh s PRO 12 N 1.54 4.22 0.35 -1.71 0.04 -1.26 -1.93 135.00 136.25 2csh s PRO 12 Ca 0.03 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.09 2csh s PRO 12 Cb -0.13 -3.83 -0.03 0.00 0.04 0.00 0.00 34.50 30.55 2csh s PRO 12 CO -0.08 -0.75 0.56 0.00 0.04 0.00 0.00 177.00 176.77 2csh h GLN 14 N 0.77 0.27 -0.14 0.00 4.20 -1.91 0.02 115.11 118.33 2csh h GLN 14 Ca -0.49 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.24 2csh h GLN 14 Cb 1.22 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 2csh h GLN 14 CO 0.62 0.18 0.12 0.00 -0.67 0.00 0.00 178.83 179.07 2csh n GLY 16 N -1.48 1.56 3.45 0.00 0.00 -0.01 -5.12 105.19 103.60 2csh n GLY 16 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2csh n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2csh s LYS 17 N 0.00 -1.51 -0.06 1.61 1.02 -1.26 -4.54 119.74 115.00 2csh s LYS 17 Ca 0.00 0.50 -0.03 0.00 0.02 0.00 0.00 55.97 56.46 2csh s LYS 17 Cb 0.00 -1.51 0.04 0.00 -0.52 0.00 0.00 37.83 35.84 2csh s LYS 17 CO 0.00 -4.03 0.12 -1.12 -0.92 0.00 0.00 175.35 169.41 2csh s SER 18 N -2.90 0.39 0.02 2.83 0.01 -1.26 -0.21 113.70 112.58 2csh s SER 18 Ca 0.68 0.25 0.03 0.00 1.31 0.00 0.00 55.95 58.22 2csh s SER 18 Cb -0.20 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.14 2csh s SER 18 CO 0.61 -0.19 -0.01 -0.36 0.41 0.00 0.00 173.24 173.70 2csh s PHE 19 N 1.70 3.01 0.25 2.43 0.40 -0.81 -4.78 117.98 120.17 2csh s PHE 19 Ca -0.03 0.03 0.16 0.00 -0.60 0.00 0.00 56.93 56.50 2csh s PHE 19 Cb -0.12 -1.62 0.67 0.00 0.51 0.00 0.00 43.02 42.46 2csh s PHE 19 CO -0.05 0.45 1.75 1.15 0.70 0.00 0.00 175.22 179.22 2csh h THR 20 N 3.41 1.05 -3.03 0.64 2.02 -1.90 0.90 112.91 115.99 2csh h THR 20 Ca -0.48 -1.53 -0.62 0.00 0.77 0.00 0.00 66.41 64.54 2csh h THR 20 Cb 1.17 1.89 -0.11 0.00 -1.74 0.00 0.00 68.15 69.36 2csh h THR 20 CO 0.57 0.40 -0.65 -1.00 0.37 0.00 0.00 175.52 175.21 2csh s HIS 21 N -3.76 2.92 0.10 3.16 3.76 -1.26 -4.48 115.29 115.73 2csh s HIS 21 Ca -0.01 -0.09 -0.14 0.00 -0.15 0.00 0.00 55.06 54.68 2csh s HIS 21 Cb 0.12 -1.45 -0.14 0.00 1.11 0.00 0.00 32.58 32.23 2csh s HIS 21 CO 0.70 0.50 1.33 -0.22 -0.85 0.00 0.00 174.74 176.20 2csh h LYS 22 N 2.93 0.77 -0.75 1.40 1.63 -1.99 -2.97 116.57 117.58 2csh h LYS 22 Ca -0.47 -0.56 0.04 0.00 -0.85 0.00 0.00 60.65 58.80 2csh h LYS 22 Cb 1.19 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.87 2csh h LYS 22 CO 0.59 1.18 0.47 0.77 -3.45 0.00 0.00 179.45 179.01 2csh h SER 23 N 0.50 0.77 -0.47 4.20 0.02 -1.98 0.21 113.55 116.79 2csh h SER 23 Ca -0.02 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 2csh h SER 23 Cb 1.24 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 2csh h SER 23 CO 0.13 0.53 0.12 1.56 -1.14 0.00 0.00 176.83 178.03 2csh h GLN 24 N 0.91 0.81 -0.08 3.45 7.50 -1.97 -1.45 115.11 124.28 2csh h GLN 24 Ca 0.31 -0.16 -0.23 0.00 0.50 0.00 0.00 58.65 59.06 2csh h GLN 24 Cb 0.04 -0.12 0.01 0.00 0.05 0.00 0.00 27.48 27.46 2csh h GLN 24 CO -0.12 0.73 -0.87 -0.09 -1.50 0.00 0.00 178.83 176.98 2csh h ARG 25 N 0.78 0.68 0.17 1.46 1.12 -1.18 -3.07 114.38 114.34 2csh h ARG 25 Ca 0.17 -0.62 -0.01 0.00 -1.11 0.00 0.00 59.98 58.41 2csh h ARG 25 Cb 0.29 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.40 2csh h ARG 25 CO -0.00 1.23 -0.08 0.22 -3.11 0.00 0.00 179.97 178.23 2csh h ASP 26 N 0.43 -0.19 -0.47 -3.80 3.58 -0.36 -0.82 116.42 114.79 2csh h ASP 26 Ca -0.08 -0.10 0.13 0.00 0.42 0.00 0.00 57.03 57.40 2csh h ASP 26 Cb 1.50 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.58 2csh h ASP 26 CO 0.17 -0.02 0.34 0.08 -2.88 0.00 0.00 179.24 176.92 2csh h ARG 27 N -0.35 0.05 0.00 0.28 0.11 -1.36 0.43 114.38 113.54 2csh h ARG 27 Ca -0.02 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2csh h ARG 27 Cb 0.28 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.34 2csh h ARG 27 CO 0.04 0.04 -0.35 1.58 0.10 0.00 0.00 179.97 181.37 2csh n HIS 28 N -4.41 0.52 0.01 4.08 -0.00 -0.98 -3.08 115.22 111.36 2csh n HIS 28 Ca 0.08 0.15 -0.22 0.00 0.46 0.00 0.00 57.72 58.19 2csh n HIS 28 Cb 0.51 -0.66 -0.14 0.00 -0.12 0.00 0.00 29.99 29.58 2csh n HIS 28 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 2csh h MET 29 N 0.00 0.27 -0.15 1.57 2.86 0.12 -3.30 114.93 116.30 2csh h MET 29 Ca 0.00 -0.45 -0.13 0.00 -2.06 0.00 0.00 59.70 57.06 2csh h MET 29 Cb 0.68 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 2csh h MET 29 CO 0.00 1.22 -0.46 0.77 1.06 0.00 0.00 176.91 179.50 2csh h SER 30 N -0.11 0.40 -0.33 1.22 0.02 -1.22 -2.97 113.55 110.56 2csh h SER 30 Ca -0.37 -0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 60.34 2csh h SER 30 Cb 1.92 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 64.33 2csh h SER 30 CO 0.07 0.80 0.05 0.00 -1.14 0.00 0.00 176.83 176.62 2csh h MET 31 N 0.30 0.65 0.12 3.45 3.00 -1.70 -3.02 114.93 117.73 2csh h MET 31 Ca 0.02 -0.14 0.01 0.00 0.00 0.00 0.00 59.70 59.60 2csh h MET 31 Cb 0.93 -0.10 -0.03 0.00 0.00 0.00 0.00 31.60 32.40 2csh h MET 31 CO 0.08 0.63 -0.21 0.45 0.00 0.00 0.00 176.91 177.86 2csh h HIS 32 N 0.62 -0.55 -2.51 -0.10 3.86 -1.60 -3.42 115.15 111.46 2csh h HIS 32 Ca 0.14 0.01 -0.59 0.00 -1.16 0.00 0.00 60.37 58.77 2csh h HIS 32 Cb 0.32 0.23 0.07 0.00 1.06 0.00 0.00 27.41 29.09 2csh h HIS 32 CO 0.01 -0.30 0.65 1.28 0.86 0.00 0.00 177.93 180.43 2csh n LEU 33 N -5.33 3.00 0.00 2.43 4.77 -1.14 -4.95 117.00 115.77 2csh n LEU 33 Ca -0.07 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.04 2csh n LEU 33 Cb 0.25 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 2csh n LEU 33 CO 0.27 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.46 2csh n GLY 34 N 2.51 5.16 3.17 -0.72 0.00 -1.26 -5.01 105.19 109.03 2csh n GLY 34 Ca 0.13 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.95 2csh n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2csh s LEU 35 N 0.00 2.36 0.03 0.99 1.43 -1.26 -5.16 118.68 117.07 2csh s LEU 35 Ca 0.00 -0.73 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 2csh s LEU 35 Cb 0.00 -0.37 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 2csh s LEU 35 CO 0.00 -0.20 -0.05 -0.13 0.23 0.00 0.00 176.35 176.20 2csh s ARG 36 N -2.38 0.44 0.52 1.70 3.00 -1.26 -4.97 118.95 115.99 2csh s ARG 36 Ca 0.02 -0.72 0.31 0.00 0.00 0.00 0.00 55.73 55.34 2csh s ARG 36 Cb -0.06 -0.09 1.27 0.00 0.00 0.00 0.00 34.95 36.08 2csh s ARG 36 CO 0.01 -0.00 1.96 -1.00 0.00 0.00 0.00 175.30 176.26 2csh h PRO 37 N 4.49 0.00 -4.87 3.54 0.13 -1.87 -3.42 132.00 130.01 2csh h PRO 37 Ca -0.34 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.14 2csh h PRO 37 Cb 1.20 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.15 2csh h PRO 37 CO 0.42 0.08 -0.54 0.71 -0.23 0.00 0.00 178.00 178.44 2csh s TYR 38 N -3.72 3.19 0.03 1.56 1.51 -1.21 -5.06 117.35 113.65 2csh s TYR 38 Ca 0.00 -0.09 0.04 0.00 -1.01 0.00 0.00 57.07 56.01 2csh s TYR 38 Cb 0.10 -2.36 -0.02 0.00 -0.11 0.00 0.00 41.96 39.56 2csh s TYR 38 CO 0.57 -0.25 -0.11 0.20 -1.11 0.00 0.00 175.55 174.85 2csh s GLY 39 N 1.71 0.64 -0.55 0.71 0.00 -1.26 -1.05 107.32 107.52 2csh s GLY 39 Ca 0.07 -0.71 -0.21 0.00 0.00 0.00 0.00 44.72 43.87 2csh s GLY 39 CO 0.09 -0.70 0.76 0.00 0.00 0.00 0.00 173.10 173.26 2csh n GLY 41 N 5.19 2.46 0.67 0.00 0.00 -1.26 -2.08 105.19 110.17 2csh n GLY 41 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2csh n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2csh n VAL 42 N 0.96 0.00 -0.03 1.61 0.31 -1.26 -4.92 118.33 115.00 2csh n VAL 42 Ca 0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.32 2csh n VAL 42 Cb 0.53 -0.78 -0.04 0.00 -0.91 0.00 0.00 33.84 32.65 2csh n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2csh n GLY 44 N 2.98 1.78 4.03 0.00 0.00 -0.88 -5.11 105.19 107.98 2csh n GLY 44 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 2csh n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2csh s LYS 45 N -0.13 2.08 -0.01 1.61 1.02 -1.23 -4.90 119.74 118.17 2csh s LYS 45 Ca 0.00 -1.58 -0.30 0.00 0.02 0.00 0.00 55.97 54.12 2csh s LYS 45 Cb 0.00 -2.56 0.07 0.00 -0.52 0.00 0.00 37.83 34.82 2csh s LYS 45 CO 0.00 -1.08 0.67 0.15 -0.92 0.00 0.00 175.35 174.17 2csh s LYS 46 N -4.82 1.09 -0.03 1.68 1.02 -1.26 -0.74 119.74 116.68 2csh s LYS 46 Ca 0.64 0.12 -0.10 0.00 0.02 0.00 0.00 55.97 56.65 2csh s LYS 46 Cb -0.05 0.51 0.01 0.00 -0.52 0.00 0.00 37.83 37.78 2csh s LYS 46 CO 0.41 -0.37 0.22 -0.06 -0.92 0.00 0.00 175.35 174.63 2csh s PHE 47 N -1.66 -0.10 0.09 3.18 0.40 -0.22 -4.99 117.98 114.67 2csh s PHE 47 Ca -0.09 0.19 -0.11 0.00 -0.60 0.00 0.00 56.93 56.33 2csh s PHE 47 Cb -0.00 0.03 -0.19 0.00 0.51 0.00 0.00 43.02 43.37 2csh s PHE 47 CO 0.06 -0.28 1.23 -0.22 0.70 0.00 0.00 175.22 176.71 2csh h LYS 48 N 4.54 0.60 -6.26 0.44 3.64 -1.93 -3.21 116.57 114.40 2csh h LYS 48 Ca -0.29 -0.66 -0.56 0.00 -1.27 0.00 0.00 60.65 57.87 2csh h LYS 48 Cb 1.19 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 33.16 2csh h LYS 48 CO 0.39 1.26 -0.25 -1.64 -2.27 0.00 0.00 179.45 176.94 2csh s MET 49 N -3.29 3.66 0.30 1.90 -1.94 -1.26 -4.78 119.30 113.90 2csh s MET 49 Ca -0.08 0.01 0.13 0.00 -1.71 0.00 0.00 55.69 54.04 2csh s MET 49 Cb 0.07 -2.78 0.42 0.00 2.01 0.00 0.00 34.83 34.55 2csh s MET 49 CO 0.90 0.41 1.62 1.57 -0.01 0.00 0.00 175.02 179.52 2csh h LYS 50 N 2.67 0.00 0.00 2.03 -0.00 -2.00 -2.96 116.57 116.31 2csh h LYS 50 Ca -0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.16 2csh h LYS 50 Cb 1.17 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.39 2csh h LYS 50 CO 0.71 0.55 -0.30 1.12 -0.00 0.00 0.00 179.45 181.54 2csh h HIS 51 N 0.00 0.00 -0.06 0.07 2.07 -1.98 -3.22 115.15 112.02 2csh h HIS 51 Ca -0.01 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.35 2csh h HIS 51 Cb 1.09 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.06 2csh h HIS 51 CO 0.00 0.13 -0.70 0.45 -3.07 0.00 0.00 177.93 174.74 2csh h HIS 52 N 0.00 0.39 -0.19 6.12 3.86 -1.93 -3.12 115.15 120.29 2csh h HIS 52 Ca -0.01 -0.17 -0.19 0.00 -1.16 0.00 0.00 60.37 58.84 2csh h HIS 52 Cb 1.10 -0.06 0.01 0.00 1.06 0.00 0.00 27.41 29.52 2csh h HIS 52 CO 0.00 0.90 -0.64 1.25 0.86 0.00 0.00 177.93 180.30 2csh h LEU 53 N 0.20 0.89 0.42 2.43 5.85 -1.59 -3.32 115.31 120.19 2csh h LEU 53 Ca -0.02 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.09 2csh h LEU 53 Cb 1.25 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 2csh h LEU 53 CO 0.11 1.33 -0.43 0.58 -0.34 0.00 0.00 178.44 179.69 2csh h VAL 54 N 0.49 0.00 -0.71 1.05 2.07 -1.57 0.30 116.25 117.89 2csh h VAL 54 Ca -0.03 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.70 2csh h VAL 54 Cb 1.27 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2csh h VAL 54 CO 0.14 0.00 1.03 1.23 0.02 0.00 0.00 177.57 179.98 2csh h GLY 55 N -0.86 0.00 0.23 2.17 0.00 -1.65 0.44 103.07 103.41 2csh h GLY 55 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.91 2csh h GLY 55 CO -0.06 0.00 -2.10 1.57 0.00 0.00 0.00 176.54 175.95 2csh n HIS 56 N -3.16 0.66 -0.02 5.60 -0.00 -0.49 -4.19 115.22 113.61 2csh n HIS 56 Ca 0.16 0.18 0.24 0.00 -0.00 0.00 0.00 57.72 58.29 2csh n HIS 56 Cb 1.25 -1.08 0.71 0.00 -0.00 0.00 0.00 29.99 30.87 2csh n HIS 56 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 2csh h MET 57 N -0.30 0.00 0.00 1.57 2.86 0.36 0.32 114.93 119.74 2csh h MET 57 Ca -0.50 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 2csh h MET 57 Cb 1.81 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.47 2csh h MET 57 CO -0.09 0.00 0.16 0.87 1.06 0.00 0.00 176.91 178.91 2csh h LYS 58 N 0.00 0.00 0.00 1.72 1.57 -1.56 0.38 116.57 118.68 2csh h LYS 58 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2csh h LYS 58 Cb 1.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.78 2csh h LYS 58 CO -0.00 0.00 0.00 -0.84 -0.57 0.00 0.00 179.45 178.04 2csh h ILE 59 N 0.00 0.00 -0.31 1.86 3.07 -0.63 -3.11 117.51 118.39 2csh h ILE 59 Ca 0.00 -0.62 0.00 0.00 1.55 0.00 0.00 64.86 65.79 2csh h ILE 59 Cb 0.33 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 2csh h ILE 59 CO 0.00 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.51 2csh n HIS 60 N -2.56 0.97 -3.67 0.16 8.25 0.13 -4.67 115.22 113.84 2csh n HIS 60 Ca 0.05 -0.80 -0.27 0.00 -0.26 0.00 0.00 57.72 56.44 2csh n HIS 60 Cb 0.44 -0.28 -0.10 0.00 1.12 0.00 0.00 29.99 31.17 2csh n HIS 60 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2csh n THR 61 N -0.20 1.54 0.00 1.59 -2.24 -1.16 -4.97 114.28 108.84 2csh n THR 61 Ca 0.20 -4.83 0.00 0.00 -2.27 0.00 0.00 64.05 57.15 2csh n THR 61 Cb 0.84 -2.10 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 2csh n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2csh n GLY 62 N 1.63 1.97 3.49 3.38 0.00 -1.26 -4.92 105.19 109.48 2csh n GLY 62 Ca 0.24 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 2csh n GLY 62 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2csh n ILE 63 N 0.00 1.92 -3.64 -0.61 5.41 -1.26 -5.00 119.36 116.18 2csh n ILE 63 Ca 0.00 -0.50 -0.09 0.00 1.00 0.00 0.00 62.75 63.16 2csh n ILE 63 Cb 0.00 -0.65 -0.07 0.00 -0.71 0.00 0.00 39.64 38.21 2csh n ILE 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2csh s LYS 64 N -1.57 0.72 -0.02 0.38 0.00 -1.26 -4.50 119.74 113.49 2csh s LYS 64 Ca 0.62 1.12 -0.25 0.00 0.00 0.00 0.00 55.97 57.46 2csh s LYS 64 Cb -0.65 0.21 -0.19 0.00 0.00 0.00 0.00 37.83 37.20 2csh s LYS 64 CO 0.58 -0.13 1.23 -1.00 0.00 0.00 0.00 175.35 176.03 2csh h PRO 65 N 6.34 -0.06 -4.94 1.78 0.13 -1.91 -3.47 132.00 129.87 2csh h PRO 65 Ca -0.30 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.40 2csh h PRO 65 Cb 1.21 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 2csh h PRO 65 CO 0.13 0.40 -0.56 0.71 -0.23 0.00 0.00 178.00 178.45 2csh s TYR 66 N -4.22 1.66 -0.29 1.56 2.02 -1.24 -5.09 117.35 111.74 2csh s TYR 66 Ca -0.15 -1.29 -0.24 0.00 -0.37 0.00 0.00 57.07 55.01 2csh s TYR 66 Cb 0.02 -0.95 0.15 0.00 -0.40 0.00 0.00 41.96 40.77 2csh s TYR 66 CO 0.64 -0.41 1.17 -2.00 -1.57 0.00 0.00 175.55 173.38 2csh s GLU 67 N -3.83 0.34 1.06 -0.62 2.12 -1.26 -3.49 118.70 113.01 2csh s GLU 67 Ca 0.34 0.42 -0.12 0.00 0.36 0.00 0.00 54.97 55.96 2csh s GLU 67 Cb 0.05 0.16 0.22 0.00 0.26 0.00 0.00 34.13 34.82 2csh s GLU 67 CO 0.16 -0.04 1.07 0.00 -0.54 0.00 0.00 175.26 175.91 2csh n ASN 69 N -4.45 2.04 -0.01 0.00 0.23 -1.26 -3.73 115.26 108.08 2csh n ASN 69 Ca 0.05 0.00 -0.00 0.00 -0.53 0.00 0.00 54.58 54.09 2csh n ASN 69 Cb 0.56 0.99 -0.00 0.00 -2.08 0.00 0.00 39.78 39.25 2csh n ASN 69 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2csh h ILE 70 N 0.00 0.00 -0.00 1.53 5.03 -1.94 -3.38 117.51 118.75 2csh h ILE 70 Ca -0.25 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 64.22 2csh h ILE 70 Cb 1.46 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.25 2csh h ILE 70 CO 0.01 0.00 -0.22 0.00 -0.68 0.00 0.00 178.15 177.27 2csh n ALA 72 N -1.23 -0.48 -1.25 0.00 0.00 -1.24 -4.95 120.51 111.35 2csh n ALA 72 Ca 0.10 0.23 -0.32 0.00 0.00 0.00 0.00 53.44 53.45 2csh n ALA 72 Cb 0.32 -2.09 0.09 0.00 0.00 0.00 0.00 19.45 17.76 2csh n ALA 72 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2csh s LYS 73 N -4.47 2.16 -0.11 0.00 1.02 -1.26 -4.53 119.74 112.56 2csh s LYS 73 Ca 0.00 1.45 0.01 0.00 0.02 0.00 0.00 55.97 57.45 2csh s LYS 73 Cb 0.00 -1.87 -0.01 0.00 -0.52 0.00 0.00 37.83 35.43 2csh s LYS 73 CO 0.00 -1.76 -0.15 1.03 -0.92 0.00 0.00 175.35 173.55 2csh s ARG 74 N -4.37 3.14 0.10 1.68 0.52 -1.26 0.22 118.95 118.98 2csh s ARG 74 Ca 0.67 -0.72 0.09 0.00 -0.52 0.00 0.00 55.73 55.25 2csh s ARG 74 Cb -0.22 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 2csh s ARG 74 CO 0.49 0.29 -0.23 -0.06 0.02 0.00 0.00 175.30 175.81 2csh s PHE 75 N 0.13 1.99 -0.16 -0.53 0.40 -1.23 -5.01 117.98 113.57 2csh s PHE 75 Ca -0.08 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 55.75 2csh s PHE 75 Cb -0.15 -1.10 -0.23 0.00 0.51 0.00 0.00 43.02 42.05 2csh s PHE 75 CO 0.05 0.23 0.24 0.00 0.70 0.00 0.00 175.22 176.44 2csh n MET 76 N 1.15 0.69 -2.05 0.44 0.00 -1.26 -3.70 117.12 112.38 2csh n MET 76 Ca -0.19 0.34 -0.30 0.00 0.00 0.00 0.00 57.70 57.56 2csh n MET 76 Cb 0.53 -1.69 0.02 0.00 0.00 0.00 0.00 33.22 32.08 2csh n MET 76 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 2csh s TRP 77 N -2.50 3.46 -0.19 3.17 0.52 -1.26 -4.87 118.94 117.26 2csh s TRP 77 Ca -0.26 1.05 -0.18 0.00 0.02 0.00 0.00 56.10 56.73 2csh s TRP 77 Cb 0.07 -2.79 -0.20 0.00 -1.15 0.00 0.00 33.47 29.40 2csh s TRP 77 CO 0.69 -0.83 0.21 -2.13 0.02 0.00 0.00 176.95 174.92 2csh n ARG 78 N -2.75 0.61 -0.07 4.98 0.63 -1.26 -3.27 116.66 115.53 2csh n ARG 78 Ca 0.05 0.49 -0.08 0.00 -0.92 0.00 0.00 57.85 57.39 2csh n ARG 78 Cb 0.56 -1.72 -0.01 0.00 0.45 0.00 0.00 32.46 31.73 2csh n ARG 78 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2csh h ASP 79 N -0.75 0.15 -0.75 6.15 3.32 -2.00 -2.08 116.42 120.45 2csh h ASP 79 Ca -0.39 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.62 2csh h ASP 79 Cb 1.49 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.00 2csh h ASP 79 CO -0.16 0.12 0.23 0.28 -1.72 0.00 0.00 179.24 178.00 2csh h SER 80 N 0.24 1.10 0.30 6.45 0.02 -1.99 -0.86 113.55 118.81 2csh h SER 80 Ca 0.11 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2csh h SER 80 Cb 0.06 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2csh h SER 80 CO -0.10 1.01 -0.28 0.15 -1.14 0.00 0.00 176.83 176.48 2csh h PHE 81 N 1.12 -0.77 -0.80 3.45 3.57 -1.44 -0.27 116.94 121.80 2csh h PHE 81 Ca 0.24 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.80 2csh h PHE 81 Cb 0.31 0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 2csh h PHE 81 CO 0.03 -0.38 0.52 0.45 -2.23 0.00 0.00 178.31 176.70 2csh h HIS 82 N -0.57 0.90 -0.42 0.41 3.86 -1.41 -0.94 115.15 116.97 2csh h HIS 82 Ca -0.04 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 2csh h HIS 82 Cb 0.49 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 2csh h HIS 82 CO -0.15 0.49 0.18 -0.09 0.86 0.00 0.00 177.93 179.23 2csh h ARG 83 N 0.91 0.36 0.44 2.45 2.43 -0.84 -0.24 114.38 119.89 2csh h ARG 83 Ca 0.34 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.46 2csh h ARG 83 Cb 0.17 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2csh h ARG 83 CO -0.11 0.24 -0.21 1.25 -1.51 0.00 0.00 179.97 179.62 2csh h HIS 84 N 0.37 -0.55 -0.91 2.20 2.76 -0.39 -3.26 115.15 115.38 2csh h HIS 84 Ca 0.19 -0.01 0.25 0.00 -2.20 0.00 0.00 60.37 58.60 2csh h HIS 84 Cb 0.14 0.18 -0.15 0.00 1.55 0.00 0.00 27.41 29.14 2csh h HIS 84 CO -0.13 -0.28 0.26 0.28 -1.30 0.00 0.00 177.93 176.76 2csh h VAL 85 N -1.10 0.27 -0.85 5.26 2.07 -1.16 0.41 116.25 121.15 2csh h VAL 85 Ca -0.06 -0.07 0.19 0.00 0.82 0.00 0.00 66.70 67.58 2csh h VAL 85 Cb 0.52 0.06 -0.11 0.00 -1.52 0.00 0.00 31.29 30.24 2csh h VAL 85 CO 0.10 0.04 0.35 0.74 0.02 0.00 0.00 177.57 178.82 2csh h THR 86 N 0.19 0.54 0.00 2.57 2.02 -1.08 -0.79 112.91 116.37 2csh h THR 86 Ca 0.59 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.57 2csh h THR 86 Cb 1.23 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2csh h THR 86 CO -0.68 0.08 -0.30 0.28 0.37 0.00 0.00 175.52 175.27 2csh h SER 87 N 0.42 0.00 -1.43 4.18 0.02 -0.39 -3.15 113.55 113.20 2csh h SER 87 Ca 0.50 -0.88 0.42 0.00 -0.84 0.00 0.00 61.79 60.99 2csh h SER 87 Cb 0.88 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.34 2csh h SER 87 CO -0.48 1.11 1.00 0.00 -1.14 0.00 0.00 176.83 177.32 2csh h THR 89 N 0.07 1.59 -0.69 0.00 2.02 -1.25 -3.26 112.91 111.39 2csh h THR 89 Ca 0.74 -2.40 0.13 0.00 0.77 0.00 0.00 66.41 65.65 2csh h THR 89 Cb 2.69 3.18 -0.13 0.00 -1.74 0.00 0.00 68.15 72.15 2csh h THR 89 CO -0.14 0.66 -0.19 0.29 0.37 0.00 0.00 175.52 176.51 2csh n LYS 90 N -4.30 -0.09 -0.10 6.66 4.76 0.10 0.18 118.16 125.38 2csh n LYS 90 Ca -0.12 1.07 -0.12 0.00 -2.87 0.00 0.00 58.31 56.27 2csh n LYS 90 Cb 0.69 -1.60 -0.04 0.00 -1.84 0.00 0.00 35.03 32.25 2csh n LYS 90 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2csh h SER 91 N 0.00 0.69 0.15 4.39 0.87 -1.67 -1.75 113.55 116.22 2csh h SER 91 Ca 0.31 -0.42 0.01 0.00 -1.23 0.00 0.00 61.79 60.46 2csh h SER 91 Cb 0.48 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 2csh h SER 91 CO -0.70 0.96 -0.20 0.22 -0.53 0.00 0.00 176.83 176.57 2csh h TYR 92 N 0.42 -0.54 -0.41 2.24 5.03 0.19 -2.75 116.97 121.16 2csh h TYR 92 Ca 0.07 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.38 2csh h TYR 92 Cb 0.71 0.22 -0.02 0.00 1.55 0.00 0.00 36.73 39.19 2csh h TYR 92 CO 0.06 -0.30 0.26 0.93 -1.32 0.00 0.00 178.16 177.79 2csh h GLU 93 N -0.41 0.55 -0.79 1.82 5.08 -0.47 -1.73 114.58 118.62 2csh h GLU 93 Ca 0.02 -0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.45 2csh h GLU 93 Cb 0.41 -0.12 -0.13 0.00 0.50 0.00 0.00 28.75 29.41 2csh h GLU 93 CO -0.09 0.39 -0.42 0.00 -1.00 0.00 0.00 179.01 177.89 2csh h ALA 94 N 1.13 -0.11 -0.16 3.43 0.00 -1.03 -0.84 119.26 121.67 2csh h ALA 94 Ca 0.15 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2csh h ALA 94 Cb -0.03 1.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2csh h ALA 94 CO -0.03 -0.74 -0.02 0.00 0.00 0.00 0.00 179.25 178.46 2csh h ALA 95 N 0.96 0.22 -2.00 0.00 0.00 -1.35 -3.46 119.26 113.64 2csh h ALA 95 Ca 0.25 -0.22 -0.55 0.00 0.00 0.00 0.00 54.91 54.39 2csh h ALA 95 Cb 0.56 -0.06 0.24 0.00 0.00 0.00 0.00 17.79 18.53 2csh h ALA 95 CO -0.83 -0.05 -1.83 1.17 0.00 0.00 0.00 179.25 177.70 2csh n LYS 96 N -4.72 -0.00 -2.58 0.00 4.81 -0.32 -4.80 118.16 110.55 2csh n LYS 96 Ca -0.05 -0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.96 2csh n LYS 96 Cb 0.24 -1.01 0.01 0.00 0.02 0.00 0.00 35.03 34.29 2csh n LYS 96 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2csh n ALA 97 N -2.46 5.25 -0.03 3.14 0.00 -1.26 -4.75 120.51 120.39 2csh n ALA 97 Ca -0.02 -4.47 -0.14 0.00 0.00 0.00 0.00 53.44 48.81 2csh n ALA 97 Cb 0.56 -2.78 -0.10 0.00 0.00 0.00 0.00 19.45 17.13 2csh n ALA 97 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2csh h GLU 98 N 5.71 0.17 -1.03 0.00 4.81 -1.87 -3.32 114.58 119.05 2csh h GLU 98 Ca 0.33 -0.13 -0.62 0.00 -0.13 0.00 0.00 59.36 58.81 2csh h GLU 98 Cb 0.64 0.03 -0.36 0.00 0.63 0.00 0.00 28.75 29.68 2csh h GLU 98 CO 1.52 0.77 -0.04 0.00 -0.73 0.00 0.00 179.01 180.53 2csh n GLN 99 N -4.61 3.19 -0.83 1.92 0.00 -1.26 -4.79 117.38 111.00 2csh n GLN 99 Ca -0.09 -3.83 -0.11 0.00 0.00 0.00 0.00 57.00 52.97 2csh n GLN 99 Cb 0.41 -2.28 -0.02 0.00 0.00 0.00 0.00 30.24 28.35 2csh n GLN 99 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2csh n ASN 100 N -0.75 5.89 -4.81 2.61 5.15 -1.25 -4.89 115.26 117.22 2csh n ASN 100 Ca 0.51 -2.76 -0.33 0.00 -0.60 0.00 0.00 54.58 51.40 2csh n ASN 100 Cb 0.76 -1.15 -0.06 0.00 -0.53 0.00 0.00 39.78 38.79 2csh n ASN 100 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2csh s THR 101 N -1.00 4.86 1.08 -0.44 -4.23 -1.26 -5.09 115.64 109.55 2csh s THR 101 Ca 0.28 -0.40 -0.18 0.00 -1.18 0.00 0.00 61.69 60.21 2csh s THR 101 Cb 0.18 -3.25 0.07 0.00 1.34 0.00 0.00 72.50 70.84 2csh s THR 101 CO -0.03 0.32 0.00 0.35 -0.54 0.00 0.00 174.62 174.72 2csh n THR 102 N 1.04 0.00 -2.35 3.99 -2.24 -1.26 -5.00 114.28 108.46 2csh n THR 102 Ca -0.12 -0.27 -0.25 0.00 -2.27 0.00 0.00 64.05 61.15 2csh n THR 102 Cb 0.52 -0.57 0.09 0.00 -2.10 0.00 0.00 70.33 68.28 2csh n THR 102 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2csh s GLU 103 N -3.39 1.89 0.90 -0.78 -1.05 -1.26 -5.09 118.70 109.92 2csh s GLU 103 Ca 0.55 -0.61 -0.14 0.00 -0.15 0.00 0.00 54.97 54.61 2csh s GLU 103 Cb -0.13 -2.23 0.15 0.00 -0.44 0.00 0.00 34.13 31.49 2csh s GLU 103 CO 0.67 -1.37 1.26 0.00 0.95 0.00 0.00 175.26 176.76 2csh s ALA 104 N -3.22 2.36 -0.39 -0.84 0.00 -1.26 -5.05 121.76 113.36 2csh s ALA 104 Ca 0.63 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.64 2csh s ALA 104 Cb -0.08 -2.86 0.11 0.00 0.00 0.00 0.00 23.12 20.29 2csh s ALA 104 CO 0.45 -2.16 0.14 -1.54 0.00 0.00 0.00 175.76 172.65 2csh s SER 105 N -4.73 4.93 -0.44 0.00 1.04 -1.26 -5.07 113.70 108.17 2csh s SER 105 Ca 0.69 -2.21 -0.27 0.00 0.48 0.00 0.00 55.95 54.64 2csh s SER 105 Cb -0.07 -1.71 0.02 0.00 0.10 0.00 0.00 66.02 64.36 2csh s SER 105 CO 0.51 -0.43 1.02 -0.83 0.98 0.00 0.00 173.24 174.49 2csh s GLY 106 N 1.13 1.43 1.15 7.32 0.00 -1.26 -5.03 107.32 112.07 2csh s GLY 106 Ca 0.11 -0.55 -0.17 0.00 0.00 0.00 0.00 44.72 44.10 2csh s GLY 106 CO -0.06 2.19 1.10 2.56 0.00 0.00 0.00 173.10 178.90 2csh s PRO 107 N 3.95 -0.84 -0.37 2.90 0.04 -1.26 -4.84 135.00 134.59 2csh s PRO 107 Ca 0.42 0.08 -0.36 0.00 0.04 0.00 0.00 61.00 61.17 2csh s PRO 107 Cb -0.09 -1.63 -0.12 0.00 0.04 0.00 0.00 34.50 32.69 2csh s PRO 107 CO 0.26 -3.49 2.18 0.43 0.04 0.00 0.00 177.00 176.42 2csh n SER 108 N -4.63 1.94 -4.54 6.66 7.64 -1.26 -4.90 113.62 114.52 2csh n SER 108 Ca 0.11 0.45 -0.28 0.00 1.01 0.00 0.00 58.87 60.16 2csh n SER 108 Cb 0.59 -1.21 0.23 0.00 -1.01 0.00 0.00 64.21 62.81 2csh n SER 108 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2csh s SER 109 N 7.12 1.41 0.00 6.43 0.15 -1.26 -5.34 113.70 122.20 2csh s SER 109 Ca 1.11 1.41 0.00 0.00 0.70 0.00 0.00 55.95 59.17 2csh s SER 109 Cb -0.95 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.20 2csh s SER 109 CO 0.51 -3.92 0.00 0.61 1.20 0.00 0.00 173.24 171.64