#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g33 h ASP 24 N 0.00 0.00 -0.08 1.61 3.32 -2.03 -3.26 116.42 115.98 3g33 h ASP 24 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3g33 h ASP 24 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3g33 h ASP 24 CO 0.00 0.72 -0.07 1.56 -1.72 0.00 0.00 179.24 179.73 3g33 h GLN 25 N 0.00 0.35 -0.01 3.56 4.20 -2.01 -2.15 115.11 119.04 3g33 h GLN 25 Ca -0.01 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.50 3g33 h GLN 25 Cb 1.41 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.13 3g33 h GLN 25 CO 0.09 0.44 -0.58 0.00 -0.67 0.00 0.00 178.83 178.11 3g33 h ARG 26 N 0.33 0.04 0.00 1.46 3.08 -2.02 -3.09 114.38 114.19 3g33 h ARG 26 Ca 0.07 -0.03 -0.25 0.00 0.07 0.00 0.00 59.98 59.84 3g33 h ARG 26 Cb 0.34 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.42 3g33 h ARG 26 CO 0.02 0.61 -0.98 0.28 -1.07 0.00 0.00 179.97 178.83 3g33 h VAL 27 N 0.03 1.30 -0.07 2.04 2.07 -1.50 -3.21 116.25 116.91 3g33 h VAL 27 Ca -0.01 -2.22 0.01 0.00 0.82 0.00 0.00 66.70 65.30 3g33 h VAL 27 Cb 1.04 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 3g33 h VAL 27 CO 0.08 0.68 0.02 -0.07 0.02 0.00 0.00 177.57 178.30 3g33 h LEU 28 N 0.32 0.02 -0.66 2.57 3.38 -1.44 -1.01 115.31 118.49 3g33 h LEU 28 Ca -0.12 0.01 0.11 0.00 0.09 0.00 0.00 57.88 57.96 3g33 h LEU 28 Cb 1.64 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 42.32 3g33 h LEU 28 CO 0.19 0.02 0.25 1.56 0.09 0.00 0.00 178.44 180.56 3g33 h GLN 29 N 0.06 0.41 -0.11 1.13 4.20 -1.63 -0.15 115.11 119.01 3g33 h GLN 29 Ca 0.03 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3g33 h GLN 29 Cb 0.02 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 3g33 h GLN 29 CO -0.03 0.27 -0.05 0.66 -0.67 0.00 0.00 178.83 179.01 3g33 h SER 30 N 0.42 0.24 -0.12 1.46 4.64 -1.51 -2.15 113.55 116.53 3g33 h SER 30 Ca 0.34 -0.41 0.05 0.00 -0.47 0.00 0.00 61.79 61.30 3g33 h SER 30 Cb 0.46 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.42 3g33 h SER 30 CO -0.34 0.60 -0.29 -0.07 -0.87 0.00 0.00 176.83 175.85 3g33 h LEU 31 N -0.12 -0.90 -0.46 5.97 3.38 -0.72 -1.90 115.31 120.56 3g33 h LEU 31 Ca 0.03 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.22 3g33 h LEU 31 Cb 0.51 0.39 -0.09 0.00 0.09 0.00 0.00 40.66 41.55 3g33 h LEU 31 CO 0.02 -0.34 -0.15 -0.07 0.09 0.00 0.00 178.44 177.99 3g33 h LEU 32 N -0.37 -0.54 -0.78 1.67 3.38 -1.03 -1.69 115.31 115.95 3g33 h LEU 32 Ca 0.10 0.15 0.18 0.00 0.09 0.00 0.00 57.88 58.40 3g33 h LEU 32 Cb 0.51 0.33 -0.12 0.00 0.09 0.00 0.00 40.66 41.47 3g33 h LEU 32 CO -0.33 -0.19 0.20 0.03 0.09 0.00 0.00 178.44 178.24 3g33 h ARG 33 N -0.04 0.26 -0.06 1.13 3.08 -0.67 -2.83 114.38 115.24 3g33 h ARG 33 Ca 0.22 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 60.11 3g33 h ARG 33 Cb 0.38 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3g33 h ARG 33 CO -0.50 0.17 -0.63 -0.07 -1.07 0.00 0.00 179.97 177.87 3g33 h LEU 34 N 0.27 0.25 -0.94 3.04 3.38 -0.71 -3.35 115.31 117.24 3g33 h LEU 34 Ca 0.45 -0.15 0.23 0.00 0.09 0.00 0.00 57.88 58.51 3g33 h LEU 34 Cb 0.81 -0.07 -0.18 0.00 0.09 0.00 0.00 40.66 41.31 3g33 h LEU 34 CO -0.55 0.82 -0.08 -0.62 0.09 0.00 0.00 178.44 178.10 3g33 n GLU 35 N -3.85 -0.08 -0.19 1.13 1.02 -1.07 0.14 120.64 117.75 3g33 n GLU 35 Ca -0.02 1.44 0.25 0.00 -0.02 0.00 0.00 57.16 58.80 3g33 n GLU 35 Cb 0.64 -2.23 0.65 0.00 -0.02 0.00 0.00 31.44 30.48 3g33 n GLU 35 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3g33 h GLU 36 N 0.00 0.13 0.00 3.49 5.08 -1.79 -0.04 114.58 121.45 3g33 h GLU 36 Ca 0.53 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.75 3g33 h GLU 36 Cb 0.99 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 3g33 h GLU 36 CO -0.92 0.08 -0.60 -0.09 -1.00 0.00 0.00 179.01 176.48 3g33 h ARG 37 N 0.13 0.00 -0.68 2.33 2.43 -0.59 -3.25 114.38 114.75 3g33 h ARG 37 Ca 0.43 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 59.13 3g33 h ARG 37 Cb 1.49 0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 30.73 3g33 h ARG 37 CO -0.07 0.60 -0.26 0.66 -1.51 0.00 0.00 179.97 179.39 3g33 n TYR 38 N -3.45 2.35 -4.03 2.20 4.02 -0.04 -4.90 117.16 113.30 3g33 n TYR 38 Ca 0.00 -2.23 -0.34 0.00 -0.01 0.00 0.00 57.90 55.33 3g33 n TYR 38 Cb 0.69 -0.62 -0.15 0.00 -0.02 0.00 0.00 39.34 39.24 3g33 n TYR 38 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3g33 s VAL 39 N -4.27 2.54 0.07 -0.72 1.01 -1.12 -4.85 120.40 113.05 3g33 s VAL 39 Ca 0.52 -1.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.16 3g33 s VAL 39 Cb 0.43 -2.23 -0.16 0.00 0.00 0.00 0.00 36.38 34.41 3g33 s VAL 39 CO 0.01 0.31 0.75 -2.65 0.00 0.00 0.00 175.10 173.52 3g33 n PRO 40 N 4.63 0.00 -0.15 2.72 -0.02 -1.26 -4.84 135.00 136.08 3g33 n PRO 40 Ca -0.18 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.22 3g33 n PRO 40 Cb 0.48 -1.14 0.01 0.00 -0.02 0.00 0.00 33.50 32.82 3g33 n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g33 h ARG 41 N 1.96 0.61 -3.82 -0.52 3.08 -1.93 -3.47 114.38 110.29 3g33 h ARG 41 Ca -0.37 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.48 3g33 h ARG 41 Cb 1.25 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 31.09 3g33 h ARG 41 CO 0.54 0.47 -0.15 0.00 -1.07 0.00 0.00 179.97 179.77 3g33 s ALA 42 N -5.92 0.15 -0.33 0.04 0.00 -1.26 -5.11 121.76 109.32 3g33 s ALA 42 Ca -0.13 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 50.41 3g33 s ALA 42 Cb 0.11 1.09 0.01 0.00 0.00 0.00 0.00 23.12 24.33 3g33 s ALA 42 CO 0.74 -0.83 1.20 -1.54 0.00 0.00 0.00 175.76 175.34 3g33 s SER 43 N -3.10 6.75 0.00 0.00 1.04 -1.26 -4.89 113.70 112.24 3g33 s SER 43 Ca 0.26 1.06 0.27 0.00 0.48 0.00 0.00 55.95 58.02 3g33 s SER 43 Cb -0.00 -2.54 0.86 0.00 0.10 0.00 0.00 66.02 64.43 3g33 s SER 43 CO 0.13 -1.04 1.63 0.00 0.98 0.00 0.00 173.24 174.95 3g33 n TYR 44 N 7.40 0.00 0.87 5.02 0.18 -1.26 -4.20 117.16 125.16 3g33 n TYR 44 Ca 0.13 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.91 3g33 n TYR 44 Cb 0.47 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 39.39 3g33 n TYR 44 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 3g33 n PHE 45 N -0.02 0.00 0.31 -3.48 3.01 -1.26 0.09 117.46 116.11 3g33 n PHE 45 Ca 0.16 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.66 3g33 n PHE 45 Cb 0.37 -0.02 0.01 0.00 -0.01 0.00 0.00 39.48 39.83 3g33 n PHE 45 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3g33 n GLN 46 N -0.23 1.50 -0.09 -1.08 6.02 -1.26 -4.27 117.38 117.97 3g33 n GLN 46 Ca 0.00 -0.66 -0.11 0.00 -0.01 0.00 0.00 57.00 56.22 3g33 n GLN 46 Cb 0.05 -1.04 -0.10 0.00 1.02 0.00 0.00 30.24 30.16 3g33 n GLN 46 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3g33 n VAL 48 N -2.86 3.25 0.31 0.00 0.31 -0.96 -4.69 118.33 113.69 3g33 n VAL 48 Ca -0.30 -2.92 0.19 0.00 -0.01 0.00 0.00 64.34 61.30 3g33 n VAL 48 Cb 0.92 -0.92 0.90 0.00 -0.91 0.00 0.00 33.84 33.84 3g33 n VAL 48 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3g33 h GLN 49 N 1.71 0.00 -0.08 5.55 4.15 -1.78 0.90 115.11 125.57 3g33 h GLN 49 Ca 0.53 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.92 3g33 h GLN 49 Cb 1.45 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.14 3g33 h GLN 49 CO 1.22 0.00 -0.07 0.00 -1.93 0.00 0.00 178.83 178.06 3g33 h ARG 50 N 0.00 0.18 0.00 1.69 3.08 -1.94 -3.42 114.38 113.97 3g33 h ARG 50 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3g33 h ARG 50 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3g33 h ARG 50 CO 0.00 0.60 -0.24 0.39 -1.07 0.00 0.00 179.97 179.65 3g33 n GLU 51 N -4.71 4.38 -2.72 0.04 1.02 -1.17 -5.08 120.64 112.40 3g33 n GLU 51 Ca -0.07 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.70 3g33 n GLU 51 Cb 0.30 -0.60 -0.06 0.00 -0.02 0.00 0.00 31.44 31.05 3g33 n GLU 51 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3g33 s ILE 52 N -0.49 4.09 -0.03 -3.67 1.01 0.30 -4.77 121.20 117.65 3g33 s ILE 52 Ca 0.00 1.65 -0.12 0.00 0.00 0.00 0.00 60.65 62.19 3g33 s ILE 52 Cb 0.00 -3.88 0.02 0.00 0.01 0.00 0.00 42.46 38.61 3g33 s ILE 52 CO 0.00 0.06 0.26 -0.54 0.00 0.00 0.00 174.94 174.72 3g33 s LYS 53 N -2.28 0.54 0.36 2.79 1.02 -1.26 -4.68 119.74 116.22 3g33 s LYS 53 Ca 0.53 -0.11 0.15 0.00 0.02 0.00 0.00 55.97 56.56 3g33 s LYS 53 Cb -0.19 0.24 1.03 0.00 -0.52 0.00 0.00 37.83 38.39 3g33 s LYS 53 CO 0.24 -0.13 1.72 -1.35 -0.92 0.00 0.00 175.35 174.91 3g33 h PRO 54 N 4.41 0.43 -0.21 -1.68 0.11 -1.97 0.30 132.00 133.39 3g33 h PRO 54 Ca -0.29 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.71 3g33 h PRO 54 Cb 1.18 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3g33 h PRO 54 CO 0.38 0.28 -0.23 1.12 -0.21 0.00 0.00 178.00 179.34 3g33 h HIS 55 N 0.44 0.42 -0.10 0.65 2.07 -1.99 -2.37 115.15 114.26 3g33 h HIS 55 Ca 0.66 -0.08 -0.14 0.00 -2.85 0.00 0.00 60.37 57.96 3g33 h HIS 55 Cb 1.50 -0.11 -0.01 0.00 2.57 0.00 0.00 27.41 31.36 3g33 h HIS 55 CO -0.01 0.59 -0.55 0.52 -3.07 0.00 0.00 177.93 175.42 3g33 h MET 56 N 0.34 0.30 -0.14 5.12 2.86 -0.84 0.36 114.93 122.93 3g33 h MET 56 Ca 0.05 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 3g33 h MET 56 Cb 0.60 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 3g33 h MET 56 CO 0.04 0.77 -0.29 -0.09 1.06 0.00 0.00 176.91 178.40 3g33 h ARG 57 N 0.23 0.27 0.19 1.72 1.12 -0.92 -0.76 114.38 116.24 3g33 h ARG 57 Ca 0.00 -0.10 -0.33 0.00 -1.11 0.00 0.00 59.98 58.44 3g33 h ARG 57 Cb 1.04 -0.02 0.02 0.00 -0.01 0.00 0.00 29.97 31.00 3g33 h ARG 57 CO 0.09 0.55 -1.55 0.87 -3.11 0.00 0.00 179.97 176.82 3g33 h LYS 58 N 0.24 0.40 -0.69 0.20 1.57 -1.27 -2.66 116.57 114.36 3g33 h LYS 58 Ca 0.03 -0.68 0.03 0.00 -1.87 0.00 0.00 60.65 58.17 3g33 h LYS 58 Cb 0.64 0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.17 3g33 h LYS 58 CO 0.05 1.30 0.45 0.52 -0.57 0.00 0.00 179.45 181.20 3g33 h MET 59 N 0.11 0.81 -0.06 3.15 2.86 -0.76 -1.13 114.93 119.91 3g33 h MET 59 Ca -0.27 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.15 3g33 h MET 59 Cb 2.09 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 33.56 3g33 h MET 59 CO 0.21 0.53 -0.72 1.25 1.06 0.00 0.00 176.91 179.24 3g33 h LEU 60 N 0.83 0.37 -0.71 1.22 5.85 -1.20 -3.21 115.31 118.46 3g33 h LEU 60 Ca 0.27 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3g33 h LEU 60 Cb 0.06 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3g33 h LEU 60 CO -0.08 0.97 0.35 0.00 -0.34 0.00 0.00 178.44 179.34 3g33 h ALA 61 N 1.02 0.92 0.00 1.25 0.00 -0.85 -1.62 119.26 119.97 3g33 h ALA 61 Ca -0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3g33 h ALA 61 Cb 1.29 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3g33 h ALA 61 CO 0.12 0.47 -0.41 1.88 0.00 0.00 0.00 179.25 181.30 3g33 h TYR 62 N 0.99 0.00 -0.17 0.00 -1.99 -1.44 -1.02 116.97 113.34 3g33 h TYR 62 Ca 0.25 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.81 3g33 h TYR 62 Cb 0.10 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 3g33 h TYR 62 CO 0.00 0.41 -0.58 2.35 -0.00 0.00 0.00 178.16 180.35 3g33 h TRP 63 N 0.00 0.68 -0.31 4.88 7.01 -1.43 -1.14 115.95 125.64 3g33 h TRP 63 Ca -0.00 -0.25 -0.11 0.00 2.11 0.00 0.00 58.89 60.63 3g33 h TRP 63 Cb 0.75 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.67 3g33 h TRP 63 CO 0.00 0.99 -0.27 0.52 -2.79 0.00 0.00 178.44 176.89 3g33 h MET 64 N 0.41 0.64 -0.43 2.65 2.86 -0.92 -2.30 114.93 117.83 3g33 h MET 64 Ca 0.00 -0.27 -0.07 0.00 -2.06 0.00 0.00 59.70 57.30 3g33 h MET 64 Cb 1.13 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.75 3g33 h MET 64 CO 0.11 0.84 -0.02 1.25 1.06 0.00 0.00 176.91 180.15 3g33 h LEU 65 N 0.55 0.76 -0.33 1.22 5.85 -1.01 -2.11 115.31 120.24 3g33 h LEU 65 Ca 0.07 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.50 3g33 h LEU 65 Cb 0.75 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3g33 h LEU 65 CO 0.06 0.90 0.16 -0.33 -0.34 0.00 0.00 178.44 178.89 3g33 h GLU 66 N 0.61 0.33 -0.40 1.25 5.08 -1.10 -0.68 114.58 119.66 3g33 h GLU 66 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3g33 h GLU 66 Cb 0.52 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3g33 h GLU 66 CO 0.03 0.22 0.26 0.28 -1.00 0.00 0.00 179.01 178.79 3g33 h VAL 67 N 0.34 1.12 -0.30 3.13 2.07 -1.28 0.16 116.25 121.49 3g33 h VAL 67 Ca 0.14 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 3g33 h VAL 67 Cb 0.05 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3g33 h VAL 67 CO -0.10 0.12 -0.25 0.00 0.02 0.00 0.00 177.57 177.36 3g33 h GLU 69 N 0.45 0.00 -0.05 0.00 4.39 -1.01 0.16 114.58 118.52 3g33 h GLU 69 Ca 0.05 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 3g33 h GLU 69 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 3g33 h GLU 69 CO 0.06 0.28 -0.16 1.49 -1.16 0.00 0.00 179.01 179.53 3g33 h GLU 70 N 0.00 0.19 -0.01 2.33 4.57 -0.29 -3.09 114.58 118.29 3g33 h GLU 70 Ca -0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3g33 h GLU 70 Cb 0.52 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3g33 h GLU 70 CO 0.04 0.77 0.00 1.04 -1.18 0.00 0.00 179.01 179.68 3g33 n GLN 71 N -4.60 1.03 -3.79 1.92 3.00 0.29 -4.89 117.38 110.34 3g33 n GLN 71 Ca -0.08 -0.05 -0.29 0.00 -0.01 0.00 0.00 57.00 56.56 3g33 n GLN 71 Cb 0.40 -1.38 0.01 0.00 0.00 0.00 0.00 30.24 29.27 3g33 n GLN 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3g33 n ARG 72 N -0.82 -4.38 -0.68 -1.09 5.12 0.34 -4.91 116.66 110.24 3g33 n ARG 72 Ca 0.18 0.53 -0.31 0.00 -1.93 0.00 0.00 57.85 56.32 3g33 n ARG 72 Cb 0.09 -5.34 0.17 0.00 -1.16 0.00 0.00 32.46 26.22 3g33 n ARG 72 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3g33 n GLU 74 N -3.98 2.26 0.29 0.00 -0.58 -1.26 -4.82 120.64 112.54 3g33 n GLU 74 Ca 0.11 0.79 0.15 0.00 -0.42 0.00 0.00 57.16 57.80 3g33 n GLU 74 Cb 0.52 -2.44 0.75 0.00 -0.57 0.00 0.00 31.44 29.70 3g33 n GLU 74 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3g33 h GLU 75 N 3.25 0.00 0.00 3.49 4.39 -1.98 -1.46 114.58 122.27 3g33 h GLU 75 Ca -0.47 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.09 3g33 h GLU 75 Cb 1.27 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 3g33 h GLU 75 CO 0.68 0.00 -0.71 0.93 -1.16 0.00 0.00 179.01 178.75 3g33 h GLU 76 N 0.00 0.00 0.22 2.33 5.08 -1.96 -3.37 114.58 116.88 3g33 h GLU 76 Ca 0.04 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3g33 h GLU 76 Cb 0.85 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 3g33 h GLU 76 CO -0.00 0.62 -0.38 0.28 -1.00 0.00 0.00 179.01 178.53 3g33 h VAL 77 N 0.00 0.22 -0.18 3.13 2.07 -1.59 -2.45 116.25 117.45 3g33 h VAL 77 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 3g33 h VAL 77 Cb 1.51 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 3g33 h VAL 77 CO 0.08 0.00 -0.39 0.15 0.02 0.00 0.00 177.57 177.43 3g33 h PHE 78 N -0.68 -1.18 -0.92 1.57 3.57 -1.77 0.39 116.94 117.92 3g33 h PHE 78 Ca 0.00 0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.67 3g33 h PHE 78 Cb 0.67 0.54 -0.07 0.00 2.79 0.00 0.00 35.95 39.88 3g33 h PHE 78 CO -0.29 -0.37 0.59 -1.35 -2.23 0.00 0.00 178.31 174.65 3g33 h PRO 79 N -0.36 0.82 -0.22 6.41 0.11 -1.79 0.02 132.00 136.98 3g33 h PRO 79 Ca 0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 3g33 h PRO 79 Cb 0.46 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 3g33 h PRO 79 CO -0.36 0.54 0.09 1.25 -0.21 0.00 0.00 178.00 179.31 3g33 h LEU 80 N 0.84 0.31 -0.84 2.35 6.46 -0.71 0.33 115.31 124.06 3g33 h LEU 80 Ca 0.44 -0.17 0.05 0.00 -0.12 0.00 0.00 57.88 58.09 3g33 h LEU 80 Cb 0.53 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.32 3g33 h LEU 80 CO -0.21 0.39 0.52 0.00 -0.62 0.00 0.00 178.44 178.53 3g33 h ALA 81 N 0.93 1.14 -0.15 1.25 0.00 0.11 -0.46 119.26 122.08 3g33 h ALA 81 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3g33 h ALA 81 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3g33 h ALA 81 CO -0.01 0.29 -0.22 0.52 0.00 0.00 0.00 179.25 179.83 3g33 h MET 82 N 0.97 0.26 -0.24 0.00 2.86 -0.70 -0.88 114.93 117.20 3g33 h MET 82 Ca 0.36 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3g33 h MET 82 Cb 0.13 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3g33 h MET 82 CO -0.16 0.48 0.15 -0.97 1.06 0.00 0.00 176.91 177.46 3g33 h ASN 83 N 0.24 0.28 -0.37 1.22 -0.73 0.64 -1.51 115.58 115.34 3g33 h ASN 83 Ca 0.04 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.18 3g33 h ASN 83 Cb 0.53 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 3g33 h ASN 83 CO 0.04 0.23 0.23 1.88 -0.37 0.00 0.00 177.43 179.44 3g33 h TYR 84 N 0.30 0.48 0.15 0.67 0.05 -0.84 -2.23 116.97 115.56 3g33 h TYR 84 Ca 0.09 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.88 3g33 h TYR 84 Cb -0.00 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 37.53 3g33 h TYR 84 CO -0.05 0.33 -0.50 1.25 -1.05 0.00 0.00 178.16 178.14 3g33 h LEU 85 N 0.49 -1.49 -0.55 3.88 5.85 -0.90 -0.17 115.31 122.43 3g33 h LEU 85 Ca 0.13 0.16 0.06 0.00 0.84 0.00 0.00 57.88 59.07 3g33 h LEU 85 Cb -0.02 0.55 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 3g33 h LEU 85 CO -0.03 -0.55 0.26 0.44 -0.34 0.00 0.00 178.44 178.22 3g33 h ASP 86 N -0.75 0.35 -0.70 1.25 3.32 -1.23 0.26 116.42 118.92 3g33 h ASP 86 Ca -0.00 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3g33 h ASP 86 Cb 0.75 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 3g33 h ASP 86 CO -0.26 0.24 0.34 0.03 -1.72 0.00 0.00 179.24 177.87 3g33 h ARG 87 N 0.50 1.03 -0.30 3.56 3.08 -1.13 -1.10 114.38 120.00 3g33 h ARG 87 Ca 0.25 -0.14 -0.18 0.00 0.07 0.00 0.00 59.98 59.98 3g33 h ARG 87 Cb 0.19 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3g33 h ARG 87 CO -0.19 0.79 -0.51 -0.92 -1.07 0.00 0.00 179.97 178.07 3g33 h TYR 88 N 1.02 1.10 0.00 3.04 3.20 -0.29 -3.01 116.97 122.02 3g33 h TYR 88 Ca 0.25 -0.38 0.00 0.00 3.14 0.00 0.00 58.73 61.74 3g33 h TYR 88 Cb 0.10 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.16 3g33 h TYR 88 CO 0.01 1.21 0.00 1.28 -1.64 0.00 0.00 178.16 179.02 3g33 n LEU 89 N -4.04 0.48 0.09 2.82 4.77 0.01 -1.40 117.00 119.74 3g33 n LEU 89 Ca -0.04 0.59 -0.07 0.00 -0.03 0.00 0.00 56.01 56.46 3g33 n LEU 89 Cb 0.61 -0.50 0.05 0.00 -2.33 0.00 0.00 43.42 41.25 3g33 n LEU 89 CO 0.50 -0.35 0.34 0.28 -1.33 0.00 0.00 177.39 176.83 3g33 h SER 90 N 0.00 0.22 0.00 -1.43 0.02 -1.07 -3.37 113.55 107.93 3g33 h SER 90 Ca 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3g33 h SER 90 Cb 0.43 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3g33 h SER 90 CO 0.00 0.91 -0.38 0.00 -1.14 0.00 0.00 176.83 176.22 3g33 s VAL 92 N -1.33 2.22 -0.84 0.00 1.01 -0.49 -5.06 120.40 115.90 3g33 s VAL 92 Ca 0.00 -1.42 -0.25 0.00 0.00 0.00 0.00 61.98 60.31 3g33 s VAL 92 Cb 0.00 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.20 3g33 s VAL 92 CO 0.00 0.12 1.49 -2.84 0.00 0.00 0.00 175.10 173.87 3g33 s PRO 93 N 1.17 3.20 0.55 2.72 0.02 -1.26 -4.42 135.00 136.97 3g33 s PRO 93 Ca -0.05 -0.46 0.00 0.00 0.02 0.00 0.00 61.00 60.51 3g33 s PRO 93 Cb -0.18 -4.73 0.03 0.00 0.02 0.00 0.00 34.50 29.64 3g33 s PRO 93 CO -0.07 -2.38 0.79 0.95 -0.33 0.00 0.00 177.00 175.96 3g33 s THR 94 N 6.36 2.85 0.29 0.99 -4.23 -1.26 -5.04 115.64 115.59 3g33 s THR 94 Ca 0.47 -0.58 0.06 0.00 -1.18 0.00 0.00 61.69 60.46 3g33 s THR 94 Cb -0.06 -3.08 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 3g33 s THR 94 CO 0.05 -0.06 0.35 -0.13 -0.54 0.00 0.00 174.62 174.29 3g33 s ARG 95 N -4.78 3.12 0.15 3.99 0.52 -1.26 -4.79 118.95 115.90 3g33 s ARG 95 Ca 0.56 -0.98 -0.20 0.00 -0.52 0.00 0.00 55.73 54.59 3g33 s ARG 95 Cb -0.10 -2.74 0.04 0.00 0.52 0.00 0.00 34.95 32.67 3g33 s ARG 95 CO 0.39 0.26 1.67 -0.22 0.02 0.00 0.00 175.30 177.41 3g33 h LYS 96 N 1.16 -0.08 0.00 3.54 3.64 -2.00 -2.36 116.57 120.47 3g33 h LYS 96 Ca -0.48 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 3g33 h LYS 96 Cb 1.24 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3g33 h LYS 96 CO 0.58 -0.06 -0.08 0.00 -2.27 0.00 0.00 179.45 177.63 3g33 h ALA 97 N 1.14 1.10 -0.17 5.00 0.00 -1.98 -2.39 119.26 121.97 3g33 h ALA 97 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3g33 h ALA 97 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3g33 h ALA 97 CO -0.33 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.06 3g33 n GLN 98 N -3.33 1.88 0.01 0.00 6.02 -0.90 -4.35 117.38 116.71 3g33 n GLN 98 Ca -0.01 -1.31 -0.12 0.00 -0.01 0.00 0.00 57.00 55.54 3g33 n GLN 98 Cb 0.26 -1.43 -0.08 0.00 1.02 0.00 0.00 30.24 30.01 3g33 n GLN 98 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3g33 h LEU 99 N 2.76 0.03 -0.94 1.08 5.85 -1.37 -1.07 115.31 121.65 3g33 h LEU 99 Ca 0.00 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3g33 h LEU 99 Cb 0.60 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 3g33 h LEU 99 CO 0.00 0.26 0.55 -0.61 -0.34 0.00 0.00 178.44 178.30 3g33 h GLN 100 N -0.20 1.28 -0.10 1.25 4.15 -1.80 -0.47 115.11 119.21 3g33 h GLN 100 Ca 0.01 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.30 3g33 h GLN 100 Cb 0.24 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3g33 h GLN 100 CO 0.00 0.91 0.05 1.25 -1.93 0.00 0.00 178.83 179.11 3g33 h LEU 101 N 1.30 0.08 -0.87 -2.39 5.85 -1.78 -2.15 115.31 115.35 3g33 h LEU 101 Ca 0.33 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.09 3g33 h LEU 101 Cb -0.03 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 3g33 h LEU 101 CO -0.06 0.06 0.56 0.25 -0.34 0.00 0.00 178.44 178.91 3g33 h LEU 102 N 0.12 0.92 -0.47 2.25 5.85 -0.70 -2.63 115.31 120.64 3g33 h LEU 102 Ca 0.04 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3g33 h LEU 102 Cb 0.00 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3g33 h LEU 102 CO -0.02 0.63 0.29 1.23 -0.34 0.00 0.00 178.44 180.23 3g33 h GLY 103 N 1.08 0.66 0.99 3.75 0.00 -0.76 -2.38 103.07 106.40 3g33 h GLY 103 Ca 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3g33 h GLY 103 CO -0.12 0.20 0.30 0.00 0.00 0.00 0.00 176.54 176.93 3g33 h ALA 104 N 1.19 0.71 0.03 3.60 0.00 -1.09 -1.43 119.26 122.27 3g33 h ALA 104 Ca 0.18 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3g33 h ALA 104 Cb -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3g33 h ALA 104 CO -0.06 0.23 -0.09 0.28 0.00 0.00 0.00 179.25 179.60 3g33 h VAL 105 N 0.74 0.77 -0.45 0.00 2.07 -1.24 0.32 116.25 118.46 3g33 h VAL 105 Ca 0.19 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.79 3g33 h VAL 105 Cb 0.05 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 3g33 h VAL 105 CO -0.03 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.65 3g33 h MET 107 N 0.23 -0.68 -0.31 0.00 4.05 -0.66 0.60 114.93 118.17 3g33 h MET 107 Ca 0.22 0.05 0.04 0.00 -0.28 0.00 0.00 59.70 59.73 3g33 h MET 107 Cb 0.28 0.15 -0.07 0.00 -0.80 0.00 0.00 31.60 31.16 3g33 h MET 107 CO -0.29 -0.45 -0.55 1.25 0.23 0.00 0.00 176.91 177.10 3g33 h LEU 108 N -0.71 -1.79 0.05 3.39 5.85 0.51 -0.76 115.31 121.85 3g33 h LEU 108 Ca 0.01 0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.98 3g33 h LEU 108 Cb 0.74 0.72 -0.05 0.00 0.37 0.00 0.00 40.66 42.45 3g33 h LEU 108 CO -0.33 -0.43 -0.32 -0.07 -0.34 0.00 0.00 178.44 176.95 3g33 h LEU 109 N -0.46 -0.94 -0.67 2.25 3.38 -0.47 0.18 115.31 118.58 3g33 h LEU 109 Ca 0.06 0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.29 3g33 h LEU 109 Cb 0.62 0.37 -0.12 0.00 0.09 0.00 0.00 40.66 41.62 3g33 h LEU 109 CO -0.53 -0.39 -0.04 0.00 0.09 0.00 0.00 178.44 177.57 3g33 h ALA 110 N 0.20 0.62 -0.12 1.53 0.00 -0.54 -0.58 119.26 120.37 3g33 h ALA 110 Ca 0.05 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3g33 h ALA 110 Cb 0.56 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3g33 h ALA 110 CO -0.23 -0.41 0.05 1.03 0.00 0.00 0.00 179.25 179.68 3g33 h SER 111 N 0.08 0.16 -0.32 0.00 0.87 -0.44 -2.55 113.55 111.35 3g33 h SER 111 Ca 0.35 -0.16 0.09 0.00 -1.23 0.00 0.00 61.79 60.85 3g33 h SER 111 Cb 0.58 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3g33 h SER 111 CO -0.61 0.27 0.31 0.11 -0.53 0.00 0.00 176.83 176.38 3g33 h LYS 112 N 0.04 0.00 0.00 2.24 1.57 0.80 -0.27 116.57 120.95 3g33 h LYS 112 Ca 0.04 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 3g33 h LYS 112 Cb 0.16 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3g33 h LYS 112 CO -0.00 0.00 -1.47 -0.11 -0.57 0.00 0.00 179.45 177.29 3g33 n LEU 113 N -3.93 0.72 0.00 2.94 7.94 -0.45 -4.55 117.00 119.66 3g33 n LEU 113 Ca 0.05 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.26 3g33 n LEU 113 Cb 0.47 0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.50 3g33 n LEU 113 CO 0.30 0.11 0.36 -1.14 -1.11 0.00 0.00 177.39 175.91 3g33 n ARG 114 N -2.79 1.37 -4.65 1.96 0.63 -0.77 -5.05 116.66 107.36 3g33 n ARG 114 Ca -0.09 -0.96 -0.24 0.00 -0.92 0.00 0.00 57.85 55.64 3g33 n ARG 114 Cb 0.79 -0.73 -0.14 0.00 0.45 0.00 0.00 32.46 32.83 3g33 n ARG 114 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3g33 s GLU 115 N -0.46 1.31 0.10 -0.14 2.02 -0.18 -4.90 118.70 116.45 3g33 s GLU 115 Ca 0.00 -0.82 -0.22 0.00 0.02 0.00 0.00 54.97 53.95 3g33 s GLU 115 Cb 0.00 -1.36 -0.12 0.00 0.10 0.00 0.00 34.13 32.75 3g33 s GLU 115 CO 0.00 0.35 1.74 0.00 0.02 0.00 0.00 175.26 177.37 3g33 h THR 116 N 4.49 0.98 -3.31 3.63 1.03 -1.95 -3.34 112.91 114.44 3g33 h THR 116 Ca -0.40 -0.01 -0.64 0.00 -0.01 0.00 0.00 66.41 65.35 3g33 h THR 116 Cb 1.16 0.94 -0.41 0.00 -1.07 0.00 0.00 68.15 68.77 3g33 h THR 116 CO 0.45 0.01 -0.62 -0.89 -0.01 0.00 0.00 175.52 174.46 3g33 s THR 117 N -6.19 2.66 1.18 0.00 2.01 -1.26 -5.11 115.64 108.93 3g33 s THR 117 Ca -0.13 -3.55 -0.14 0.00 0.31 0.00 0.00 61.69 58.17 3g33 s THR 117 Cb 0.07 -2.82 0.29 0.00 0.01 0.00 0.00 72.50 70.04 3g33 s THR 117 CO 0.67 -0.85 1.03 -2.84 -0.69 0.00 0.00 174.62 171.93 3g33 s PRO 118 N -0.57 -1.06 0.18 4.92 0.02 -1.25 -4.97 135.00 132.26 3g33 s PRO 118 Ca 0.19 0.64 -0.30 0.00 0.02 0.00 0.00 61.00 61.55 3g33 s PRO 118 Cb -0.21 -1.55 -0.07 0.00 0.02 0.00 0.00 34.50 32.68 3g33 s PRO 118 CO -0.04 -3.76 1.06 -0.51 -0.33 0.00 0.00 177.00 173.41 3g33 s LEU 119 N -7.19 4.51 0.65 -5.54 1.43 -1.26 -4.99 118.68 106.29 3g33 s LEU 119 Ca 0.68 2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 55.70 3g33 s LEU 119 Cb -0.22 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.37 3g33 s LEU 119 CO 0.63 -0.14 1.05 0.42 0.23 0.00 0.00 176.35 178.53 3g33 s THR 120 N -0.35 4.37 -0.93 5.49 -4.23 -1.26 -4.90 115.64 113.83 3g33 s THR 120 Ca 0.48 0.77 0.24 0.00 -1.18 0.00 0.00 61.69 61.99 3g33 s THR 120 Cb -0.28 -3.71 0.21 0.00 1.34 0.00 0.00 72.50 70.06 3g33 s THR 120 CO 0.34 -1.01 1.75 2.30 -0.54 0.00 0.00 174.62 177.47 3g33 n ILE 121 N -2.87 0.44 0.09 2.99 -5.35 -1.26 -2.89 119.36 110.50 3g33 n ILE 121 Ca 0.06 0.06 -0.21 0.00 -0.27 0.00 0.00 62.75 62.39 3g33 n ILE 121 Cb 0.54 -0.71 -0.15 0.00 -1.74 0.00 0.00 39.64 37.58 3g33 n ILE 121 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3g33 h GLU 122 N 0.00 0.38 -0.70 6.28 5.08 -1.98 -2.53 114.58 121.12 3g33 h GLU 122 Ca 0.00 -0.65 -0.03 0.00 -1.00 0.00 0.00 59.36 57.67 3g33 h GLU 122 Cb 0.44 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 3g33 h GLU 122 CO 0.00 1.29 0.30 0.87 -1.00 0.00 0.00 179.01 180.46 3g33 h LYS 123 N 0.10 1.03 0.00 2.33 1.57 -1.92 -1.37 116.57 118.31 3g33 h LYS 123 Ca -0.29 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.25 3g33 h LYS 123 Cb 2.09 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 34.22 3g33 h LYS 123 CO 0.19 0.84 -0.28 -0.07 -0.57 0.00 0.00 179.45 179.56 3g33 h LEU 124 N 0.98 0.00 -0.64 2.94 3.38 -1.66 -3.05 115.31 117.27 3g33 h LEU 124 Ca 0.23 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 3g33 h LEU 124 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3g33 h LEU 124 CO -0.02 0.28 -0.37 0.00 0.09 0.00 0.00 178.44 178.42 3g33 h ILE 126 N 0.55 0.75 0.00 0.00 3.07 -1.30 -2.40 117.51 118.18 3g33 h ILE 126 Ca 0.05 -1.93 -0.11 0.00 1.55 0.00 0.00 64.86 64.42 3g33 h ILE 126 Cb 0.88 2.27 -0.02 0.00 -0.27 0.00 0.00 36.82 39.69 3g33 h ILE 126 CO 0.08 0.41 -0.53 1.88 -1.05 0.00 0.00 178.15 178.94 3g33 h TYR 127 N 0.00 0.00 -0.13 0.16 -1.99 -1.41 -2.50 116.97 111.11 3g33 h TYR 127 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3g33 h TYR 127 Cb 1.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.97 3g33 h TYR 127 CO 0.00 0.53 0.00 0.25 -0.00 0.00 0.00 178.16 178.94 3g33 n THR 128 N -3.70 0.33 -2.77 -2.88 -2.24 -1.03 -4.85 114.28 97.15 3g33 n THR 128 Ca -0.01 -0.22 -0.18 0.00 -2.27 0.00 0.00 64.05 61.38 3g33 n THR 128 Cb 0.58 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3g33 n THR 128 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3g33 n ASP 129 N -0.00 -4.39 -1.42 3.42 -0.08 -0.94 -0.89 116.55 112.24 3g33 n ASP 129 Ca 0.05 -0.06 -0.18 0.00 -1.51 0.00 0.00 54.79 53.09 3g33 n ASP 129 Cb 0.25 -3.66 -0.07 0.00 2.34 0.00 0.00 41.12 39.98 3g33 n ASP 129 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3g33 n HIS 130 N -3.77 -0.06 0.17 -0.67 8.25 -0.91 -4.83 115.22 113.40 3g33 n HIS 130 Ca -0.12 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.40 3g33 n HIS 130 Cb 0.60 -3.10 0.13 0.00 1.12 0.00 0.00 29.99 28.74 3g33 n HIS 130 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3g33 h ALA 131 N 0.06 0.80 -3.19 -1.41 0.00 -1.27 -3.41 119.26 110.84 3g33 h ALA 131 Ca -0.37 -0.31 -0.70 0.00 0.00 0.00 0.00 54.91 53.53 3g33 h ALA 131 Cb 1.18 -0.05 -0.31 0.00 0.00 0.00 0.00 17.79 18.61 3g33 h ALA 131 CO 0.54 0.43 -0.60 0.08 0.00 0.00 0.00 179.25 179.69 3g33 s VAL 132 N -3.12 3.56 0.56 0.00 1.01 -1.26 -5.08 120.40 116.07 3g33 s VAL 132 Ca 0.04 -1.38 -0.19 0.00 0.00 0.00 0.00 61.98 60.45 3g33 s VAL 132 Cb 0.07 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 3g33 s VAL 132 CO 0.71 -0.29 1.12 -0.94 0.00 0.00 0.00 175.10 175.70 3g33 s SER 133 N 1.54 5.65 0.54 3.32 1.04 -1.26 -4.78 113.70 119.75 3g33 s SER 133 Ca -0.00 2.11 0.23 0.00 0.48 0.00 0.00 55.95 58.77 3g33 s SER 133 Cb -0.21 -2.57 1.43 0.00 0.10 0.00 0.00 66.02 64.77 3g33 s SER 133 CO 0.01 -1.27 2.07 1.55 0.98 0.00 0.00 173.24 176.58 3g33 h PRO 134 N 0.97 0.00 -0.20 4.02 0.13 -1.97 -1.50 132.00 133.45 3g33 h PRO 134 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3g33 h PRO 134 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3g33 h PRO 134 CO 0.56 0.00 0.08 0.00 -0.23 0.00 0.00 178.00 178.42 3g33 h ARG 135 N 0.00 0.30 -0.65 0.86 3.08 -1.98 -2.71 114.38 113.27 3g33 h ARG 135 Ca 0.13 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.15 3g33 h ARG 135 Cb 0.56 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 3g33 h ARG 135 CO -0.00 0.36 0.43 1.96 -1.07 0.00 0.00 179.97 181.65 3g33 h GLN 136 N 0.17 0.79 -0.38 0.04 4.20 -1.65 -2.78 115.11 115.51 3g33 h GLN 136 Ca 0.07 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 3g33 h GLN 136 Cb 0.17 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3g33 h GLN 136 CO -0.01 0.53 -0.34 1.25 -0.67 0.00 0.00 178.83 179.59 3g33 h LEU 137 N 0.82 0.91 -0.10 1.46 5.85 -1.27 -1.16 115.31 121.83 3g33 h LEU 137 Ca 0.25 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3g33 h LEU 137 Cb 0.01 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 3g33 h LEU 137 CO -0.07 1.16 0.01 0.03 -0.34 0.00 0.00 178.44 179.24 3g33 h ARG 138 N 0.72 0.16 -0.02 1.25 3.08 -1.24 -2.03 114.38 116.31 3g33 h ARG 138 Ca 0.07 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3g33 h ARG 138 Cb 0.90 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 3g33 h ARG 138 CO 0.08 0.38 0.01 -0.44 -1.07 0.00 0.00 179.97 178.93 3g33 h ASP 139 N -0.08 0.02 0.63 7.04 3.32 -1.45 -2.99 116.42 122.91 3g33 h ASP 139 Ca 0.03 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 3g33 h ASP 139 Cb 0.30 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 3g33 h ASP 139 CO 0.00 0.11 -0.14 -0.50 -1.72 0.00 0.00 179.24 177.00 3g33 h TRP 140 N -0.07 0.00 -0.60 4.55 4.06 -1.24 -1.25 115.95 121.40 3g33 h TRP 140 Ca 0.01 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 3g33 h TRP 140 Cb 0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.23 3g33 h TRP 140 CO -0.04 0.14 0.21 1.49 -3.56 0.00 0.00 178.44 176.67 3g33 h GLU 141 N 0.00 0.93 -0.11 0.49 4.81 -1.22 0.24 114.58 119.72 3g33 h GLU 141 Ca -0.00 -0.19 -0.14 0.00 -0.13 0.00 0.00 59.36 58.90 3g33 h GLU 141 Cb 0.49 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3g33 h GLU 141 CO 0.02 0.81 -0.55 0.28 -0.73 0.00 0.00 179.01 178.85 3g33 h VAL 142 N 0.85 1.35 -0.13 0.32 2.07 -1.27 -2.44 116.25 117.00 3g33 h VAL 142 Ca 0.20 -1.83 -0.03 0.00 0.82 0.00 0.00 66.70 65.86 3g33 h VAL 142 Cb 0.26 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3g33 h VAL 142 CO -0.01 0.55 -0.02 0.25 0.02 0.00 0.00 177.57 178.36 3g33 h LEU 143 N 0.24 0.25 -0.56 2.57 5.85 -0.88 -2.47 115.31 120.31 3g33 h LEU 143 Ca 0.00 -0.35 -0.10 0.00 0.84 0.00 0.00 57.88 58.28 3g33 h LEU 143 Cb 1.04 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3g33 h LEU 143 CO 0.09 0.54 -0.02 0.58 -0.34 0.00 0.00 178.44 179.29 3g33 h VAL 144 N -0.05 1.27 -0.32 1.05 2.07 -0.98 -2.37 116.25 116.92 3g33 h VAL 144 Ca 0.04 -1.16 0.03 0.00 0.82 0.00 0.00 66.70 66.43 3g33 h VAL 144 Cb 0.43 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3g33 h VAL 144 CO 0.01 0.41 0.11 -0.07 0.02 0.00 0.00 177.57 178.06 3g33 h LEU 145 N 0.88 0.13 -0.80 2.57 3.38 -1.43 -0.81 115.31 119.22 3g33 h LEU 145 Ca 0.15 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3g33 h LEU 145 Cb 0.57 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 3g33 h LEU 145 CO 0.03 0.11 0.37 1.23 0.09 0.00 0.00 178.44 180.28 3g33 h GLY 146 N 0.25 1.24 2.00 0.83 0.00 -1.33 0.64 103.07 106.70 3g33 h GLY 146 Ca 0.14 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 3g33 h GLY 146 CO -0.14 0.59 -0.32 0.50 0.00 0.00 0.00 176.54 177.17 3g33 h LYS 147 N 1.14 0.00 -0.72 4.80 1.79 -1.10 -1.91 116.57 120.56 3g33 h LYS 147 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3g33 h LYS 147 Cb 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 3g33 h LYS 147 CO -0.03 0.32 0.00 1.28 -1.08 0.00 0.00 179.45 179.94 3g33 n LEU 148 N -3.55 4.20 -3.60 2.94 4.77 -0.34 -4.95 117.00 116.47 3g33 n LEU 148 Ca -0.00 -2.11 -0.27 0.00 -0.03 0.00 0.00 56.01 53.60 3g33 n LEU 148 Cb 0.46 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 3g33 n LEU 148 CO 0.35 0.94 -0.02 0.29 -1.33 0.00 0.00 177.39 177.62 3g33 n LYS 149 N 1.53 -3.44 -1.21 3.23 5.02 0.13 -1.08 118.16 122.34 3g33 n LYS 149 Ca 0.25 0.45 -0.10 0.00 -2.02 0.00 0.00 58.31 56.89 3g33 n LYS 149 Cb 0.70 -5.17 -0.04 0.00 -0.02 0.00 0.00 35.03 30.50 3g33 n LYS 149 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3g33 n TRP 150 N -4.07 -0.08 -2.98 2.13 7.02 0.20 -4.87 117.44 114.79 3g33 n TRP 150 Ca 0.01 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 56.05 3g33 n TRP 150 Cb 0.53 -2.50 -0.01 0.00 -2.42 0.00 0.00 31.31 26.91 3g33 n TRP 150 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3g33 s ASP 151 N -2.13 6.85 -0.00 -0.99 -1.08 -0.24 -4.74 116.67 114.34 3g33 s ASP 151 Ca 0.00 -2.53 0.07 0.00 -0.52 0.00 0.00 52.55 49.57 3g33 s ASP 151 Cb 0.00 -2.38 -0.09 0.00 -1.46 0.00 0.00 42.92 38.99 3g33 s ASP 151 CO 0.00 -0.87 0.27 0.18 0.52 0.00 0.00 175.17 175.27 3g33 n LEU 152 N 5.85 0.25 -2.45 -1.34 4.77 -1.26 -4.68 117.00 118.13 3g33 n LEU 152 Ca 0.28 -0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 55.77 3g33 n LEU 152 Cb 0.46 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 3g33 n LEU 152 CO 0.54 0.06 1.61 0.00 -1.33 0.00 0.00 177.39 178.27 3g33 n ALA 153 N -1.32 4.77 -1.75 -1.18 0.00 -1.26 -4.90 120.51 114.85 3g33 n ALA 153 Ca 0.01 -1.51 -0.34 0.00 0.00 0.00 0.00 53.44 51.60 3g33 n ALA 153 Cb 0.13 -2.51 -0.02 0.00 0.00 0.00 0.00 19.45 17.05 3g33 n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g33 s ALA 154 N 2.08 2.83 -0.29 0.00 0.00 -1.26 -5.02 121.76 120.09 3g33 s ALA 154 Ca 0.45 0.53 -0.19 0.00 0.00 0.00 0.00 51.96 52.75 3g33 s ALA 154 Cb 0.19 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 3g33 s ALA 154 CO -0.01 -0.49 0.55 0.08 0.00 0.00 0.00 175.76 175.89 3g33 s VAL 155 N -2.15 5.02 0.28 0.00 1.01 -1.26 -5.07 120.40 118.23 3g33 s VAL 155 Ca 0.66 0.77 0.10 0.00 0.00 0.00 0.00 61.98 63.51 3g33 s VAL 155 Cb -0.16 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 3g33 s VAL 155 CO 0.26 -0.05 -0.08 0.27 0.00 0.00 0.00 175.10 175.50 3g33 s ILE 156 N 2.42 2.98 0.30 2.22 -4.36 -1.26 -4.80 121.20 118.70 3g33 s ILE 156 Ca 0.22 -2.12 -0.03 0.00 -0.26 0.00 0.00 60.65 58.47 3g33 s ILE 156 Cb -0.15 -2.63 0.44 0.00 1.25 0.00 0.00 42.46 41.37 3g33 s ILE 156 CO 0.11 -0.37 1.56 0.00 0.24 0.00 0.00 174.94 176.48 3g33 n ALA 157 N -0.79 0.38 -0.06 2.27 0.00 -1.26 -0.08 120.51 120.98 3g33 n ALA 157 Ca -0.06 1.08 0.22 0.00 0.00 0.00 0.00 53.44 54.69 3g33 n ALA 157 Cb 0.60 -0.72 0.69 0.00 0.00 0.00 0.00 19.45 20.02 3g33 n ALA 157 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3g33 h HIS 158 N 0.00 0.02 0.00 0.00 6.17 -1.96 -0.44 115.15 118.94 3g33 h HIS 158 Ca 0.55 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.63 3g33 h HIS 158 Cb 1.01 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.93 3g33 h HIS 158 CO -0.63 0.01 0.00 -0.25 0.71 0.00 0.00 177.93 177.77 3g33 n ASP 159 N -4.35 0.00 -0.01 3.26 8.00 0.89 -2.27 116.55 122.07 3g33 n ASP 159 Ca 0.12 -0.35 0.09 0.00 0.71 0.00 0.00 54.79 55.36 3g33 n ASP 159 Cb 0.70 -0.06 -0.13 0.00 -0.02 0.00 0.00 41.12 41.62 3g33 n ASP 159 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3g33 n PHE 160 N -1.06 0.00 0.00 1.24 3.72 -0.17 -4.75 117.46 116.44 3g33 n PHE 160 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 3g33 n PHE 160 Cb 0.06 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 3g33 n PHE 160 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3g33 n LEU 161 N -1.93 0.00 -0.29 4.37 4.77 -0.96 -1.89 117.00 121.07 3g33 n LEU 161 Ca -0.02 0.86 0.10 0.00 -0.03 0.00 0.00 56.01 56.92 3g33 n LEU 161 Cb 0.41 -0.36 0.23 0.00 -2.33 0.00 0.00 43.42 41.38 3g33 n LEU 161 CO 0.37 -0.36 0.86 0.00 -1.33 0.00 0.00 177.39 176.93 3g33 h ALA 162 N -1.52 1.05 -0.21 -1.18 0.00 -1.85 -0.04 119.26 115.50 3g33 h ALA 162 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3g33 h ALA 162 Cb 0.00 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3g33 h ALA 162 CO 0.00 -0.47 0.02 0.74 0.00 0.00 0.00 179.25 179.54 3g33 h PHE 163 N 0.12 0.39 0.00 0.00 -1.00 -1.82 -1.90 116.94 112.73 3g33 h PHE 163 Ca 0.50 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 61.22 3g33 h PHE 163 Cb 0.98 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.43 3g33 h PHE 163 CO -0.39 0.53 0.00 0.44 -1.61 0.00 0.00 178.31 177.28 3g33 n ILE 164 N -4.70 0.57 0.14 -0.55 -5.35 -0.64 -2.76 119.36 106.07 3g33 n ILE 164 Ca -0.04 -0.21 -0.25 0.00 -0.27 0.00 0.00 62.75 61.98 3g33 n ILE 164 Cb 0.21 -0.63 -0.16 0.00 -1.74 0.00 0.00 39.64 37.32 3g33 n ILE 164 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3g33 h LEU 165 N 0.00 0.83 -1.66 7.28 3.38 -0.91 -3.29 115.31 120.95 3g33 h LEU 165 Ca 0.00 -0.92 -0.00 0.00 0.09 0.00 0.00 57.88 57.05 3g33 h LEU 165 Cb 0.68 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3g33 h LEU 165 CO 0.00 1.71 0.18 0.45 0.09 0.00 0.00 178.44 180.87 3g33 h HIS 166 N 0.13 0.39 -0.36 1.13 3.86 -1.22 -2.82 115.15 116.24 3g33 h HIS 166 Ca -0.26 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.73 3g33 h HIS 166 Cb 2.15 -0.13 -0.11 0.00 1.06 0.00 0.00 27.41 30.39 3g33 h HIS 166 CO 0.13 0.27 0.28 0.54 0.86 0.00 0.00 177.93 180.01 3g33 n ARG 167 N -4.47 1.54 -3.93 2.45 1.74 -1.11 -4.87 116.66 108.01 3g33 n ARG 167 Ca 0.01 -1.15 -0.23 0.00 -0.77 0.00 0.00 57.85 55.71 3g33 n ARG 167 Cb 0.09 -1.45 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 3g33 n ARG 167 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3g33 n LEU 168 N 0.27 0.00 -1.97 0.55 4.77 -1.07 -5.00 117.00 114.55 3g33 n LEU 168 Ca 0.22 -2.29 -0.14 0.00 -0.03 0.00 0.00 56.01 53.77 3g33 n LEU 168 Cb 0.74 0.26 0.23 0.00 -2.33 0.00 0.00 43.42 42.32 3g33 n LEU 168 CO 0.26 -0.32 1.11 -1.54 -1.33 0.00 0.00 177.39 175.56 3g33 n SER 169 N -1.22 3.97 -4.53 -1.43 3.41 -1.26 -4.94 113.62 107.62 3g33 n SER 169 Ca -0.15 -3.48 -0.31 0.00 -0.26 0.00 0.00 58.87 54.67 3g33 n SER 169 Cb 0.46 -0.77 -0.11 0.00 -0.26 0.00 0.00 64.21 63.53 3g33 n SER 169 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3g33 s LEU 170 N -3.18 2.87 0.29 1.04 1.43 -1.26 -5.13 118.68 114.74 3g33 s LEU 170 Ca 0.54 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 3g33 s LEU 170 Cb 0.45 -1.68 -0.08 0.00 0.03 0.00 0.00 46.19 44.91 3g33 s LEU 170 CO 0.10 0.23 0.68 -2.16 0.23 0.00 0.00 176.35 175.43 3g33 s PRO 171 N -1.72 3.94 0.25 1.29 0.04 -1.26 -4.95 135.00 132.59 3g33 s PRO 171 Ca 0.17 0.54 0.15 0.00 0.04 0.00 0.00 61.00 61.91 3g33 s PRO 171 Cb -0.11 -2.50 0.84 0.00 0.04 0.00 0.00 34.50 32.77 3g33 s PRO 171 CO 0.09 0.21 1.45 0.54 0.04 0.00 0.00 177.00 179.32 3g33 n ARG 172 N -0.29 0.10 0.29 4.56 1.74 -1.26 -1.77 116.66 120.03 3g33 n ARG 172 Ca 0.03 0.59 0.17 0.00 -0.77 0.00 0.00 57.85 57.86 3g33 n ARG 172 Cb 0.53 -1.89 0.87 0.00 -1.02 0.00 0.00 32.46 30.95 3g33 n ARG 172 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3g33 h ASP 173 N 0.00 0.00 0.00 0.55 5.19 -2.05 -3.05 116.42 117.06 3g33 h ASP 173 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3g33 h ASP 173 Cb 0.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.63 3g33 h ASP 173 CO 0.00 0.05 0.00 0.54 -3.12 0.00 0.00 179.24 176.71 3g33 n ARG 174 N -3.33 -0.50 0.31 3.56 1.74 -0.73 -4.78 116.66 112.93 3g33 n ARG 174 Ca -0.02 -0.42 0.20 0.00 -0.77 0.00 0.00 57.85 56.84 3g33 n ARG 174 Cb 0.20 -0.86 1.00 0.00 -1.02 0.00 0.00 32.46 31.79 3g33 n ARG 174 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3g33 h GLN 175 N 0.00 0.00 0.35 5.56 4.20 -1.41 -3.24 115.11 120.57 3g33 h GLN 175 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3g33 h GLN 175 Cb 0.18 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3g33 h GLN 175 CO 0.00 0.01 -0.37 0.00 -0.67 0.00 0.00 178.83 177.81 3g33 h ALA 176 N 1.99 -0.78 -0.33 3.87 0.00 -1.87 -1.25 119.26 120.89 3g33 h ALA 176 Ca -0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3g33 h ALA 176 Cb 0.19 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3g33 h ALA 176 CO 0.00 -0.98 -0.06 -0.07 0.00 0.00 0.00 179.25 178.15 3g33 h LEU 177 N -0.75 0.62 -0.26 0.00 3.38 -1.96 -2.61 115.31 113.74 3g33 h LEU 177 Ca -0.02 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.63 3g33 h LEU 177 Cb 0.68 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3g33 h LEU 177 CO -0.07 0.83 0.05 0.58 0.09 0.00 0.00 178.44 179.91 3g33 h VAL 178 N 0.41 0.88 -0.79 1.22 2.07 -1.65 -1.44 116.25 116.94 3g33 h VAL 178 Ca 0.09 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 3g33 h VAL 178 Cb 0.54 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 3g33 h VAL 178 CO 0.03 0.03 0.49 0.50 0.02 0.00 0.00 177.57 178.64 3g33 h LYS 179 N 0.15 1.07 0.02 1.57 3.64 -1.19 -0.94 116.57 120.89 3g33 h LYS 179 Ca 0.12 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3g33 h LYS 179 Cb 0.12 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3g33 h LYS 179 CO -0.16 0.74 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.53 3g33 h LYS 180 N 1.09 -0.03 -0.81 1.90 3.64 -1.16 -2.83 116.57 118.37 3g33 h LYS 180 Ca 0.29 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 3g33 h LYS 180 Cb -0.07 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 3g33 h LYS 180 CO -0.06 0.24 0.54 1.25 -2.27 0.00 0.00 179.45 179.15 3g33 h HIS 181 N -0.30 0.98 0.00 1.91 2.76 -1.11 -1.22 115.15 118.18 3g33 h HIS 181 Ca -0.00 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 3g33 h HIS 181 Cb 0.28 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 28.91 3g33 h HIS 181 CO 0.02 0.58 -0.14 0.00 -1.30 0.00 0.00 177.93 177.08 3g33 h ALA 182 N 1.52 1.53 0.00 5.26 0.00 -1.06 -2.85 119.26 123.67 3g33 h ALA 182 Ca 0.32 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3g33 h ALA 182 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3g33 h ALA 182 CO -0.09 0.18 -0.20 1.96 0.00 0.00 0.00 179.25 181.10 3g33 h GLN 183 N 0.00 0.00 -0.02 0.00 4.20 -0.97 -2.21 115.11 116.11 3g33 h GLN 183 Ca -0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.51 3g33 h GLN 183 Cb 0.30 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3g33 h GLN 183 CO 0.02 0.20 -0.83 1.79 -0.67 0.00 0.00 178.83 179.34 3g33 h THR 184 N 0.00 1.45 -0.62 -0.54 1.35 -1.52 -0.25 112.91 112.78 3g33 h THR 184 Ca -0.00 -2.44 -0.10 0.00 -0.55 0.00 0.00 66.41 63.32 3g33 h THR 184 Cb 0.93 2.35 -0.02 0.00 -1.73 0.00 0.00 68.15 69.68 3g33 h THR 184 CO 0.03 0.72 0.02 -0.26 -0.25 0.00 0.00 175.52 175.77 3g33 h PHE 185 N 0.16 1.18 -0.58 4.73 0.04 -1.58 0.11 116.94 121.00 3g33 h PHE 185 Ca -0.04 -0.20 -0.03 0.00 2.80 0.00 0.00 57.97 60.49 3g33 h PHE 185 Cb 1.44 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 39.25 3g33 h PHE 185 CO 0.04 1.03 0.22 -0.07 -0.60 0.00 0.00 178.31 178.93 3g33 h LEU 186 N 1.00 0.80 -0.78 1.54 3.38 -1.21 -0.80 115.31 119.23 3g33 h LEU 186 Ca 0.18 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3g33 h LEU 186 Cb 0.55 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3g33 h LEU 186 CO 0.03 0.76 -0.11 0.00 0.09 0.00 0.00 178.44 179.20 3g33 h ALA 187 N 1.07 0.97 0.07 1.53 0.00 -0.91 -2.80 119.26 119.19 3g33 h ALA 187 Ca 0.19 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3g33 h ALA 187 Cb 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3g33 h ALA 187 CO -0.01 0.61 -0.18 1.25 0.00 0.00 0.00 179.25 180.92 3g33 h LEU 188 N 0.73 -0.50 -0.66 0.00 6.46 -0.24 -2.51 115.31 118.58 3g33 h LEU 188 Ca 0.12 0.06 0.10 0.00 -0.12 0.00 0.00 57.88 58.05 3g33 h LEU 188 Cb 0.60 0.20 -0.08 0.00 -0.73 0.00 0.00 40.66 40.65 3g33 h LEU 188 CO 0.04 -0.25 0.27 0.00 -0.62 0.00 0.00 178.44 177.88 3g33 h ALA 190 N 1.45 1.51 0.02 0.00 0.00 -1.19 -2.28 119.26 118.77 3g33 h ALA 190 Ca 0.34 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.92 3g33 h ALA 190 Cb 0.43 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3g33 h ALA 190 CO -0.32 0.09 -1.42 1.79 0.00 0.00 0.00 179.25 179.38 3g33 h THR 191 N 0.00 1.22 -3.57 0.00 1.35 -0.82 -3.45 112.91 107.65 3g33 h THR 191 Ca -0.00 -2.98 -0.61 0.00 -0.55 0.00 0.00 66.41 62.26 3g33 h THR 191 Cb 0.16 2.64 -0.12 0.00 -1.73 0.00 0.00 68.15 69.10 3g33 h THR 191 CO 0.01 0.73 -0.00 -0.62 -0.25 0.00 0.00 175.52 175.39 3g33 s ASP 192 N -6.49 6.46 0.61 5.36 -1.08 -0.79 -4.58 116.67 116.15 3g33 s ASP 192 Ca -0.04 0.55 0.36 0.00 -0.52 0.00 0.00 52.55 52.91 3g33 s ASP 192 Cb 0.08 -2.29 1.98 0.00 -1.46 0.00 0.00 42.92 41.23 3g33 s ASP 192 CO 0.83 -0.29 2.25 0.22 0.52 0.00 0.00 175.17 178.70 3g33 h TYR 193 N 7.96 0.00 0.00 -5.34 3.20 -1.87 -2.47 116.97 118.44 3g33 h TYR 193 Ca -0.29 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.58 3g33 h TYR 193 Cb 1.14 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.41 3g33 h TYR 193 CO 0.75 0.02 -0.01 1.79 -1.64 0.00 0.00 178.16 179.07 3g33 h THR 194 N 0.00 0.09 -0.02 1.81 1.35 -1.92 -1.24 112.91 112.97 3g33 h THR 194 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 3g33 h THR 194 Cb 0.12 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3g33 h THR 194 CO 0.00 0.01 -0.18 0.49 -0.25 0.00 0.00 175.52 175.60 3g33 n PHE 195 N -3.18 0.00 -0.18 4.73 3.01 -0.93 -4.60 117.46 116.31 3g33 n PHE 195 Ca -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.43 3g33 n PHE 195 Cb 0.14 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.69 3g33 n PHE 195 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g33 h ALA 196 N 3.73 0.56 -0.00 4.37 0.00 -1.33 -1.55 119.26 125.04 3g33 h ALA 196 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3g33 h ALA 196 Cb 0.77 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3g33 h ALA 196 CO 0.00 -0.36 -0.15 -1.33 0.00 0.00 0.00 179.25 177.41 3g33 n MET 197 N -5.20 0.25 -2.02 0.00 2.81 -1.26 -4.64 117.12 107.05 3g33 n MET 197 Ca 0.07 -0.07 -0.40 0.00 -1.81 0.00 0.00 57.70 55.48 3g33 n MET 197 Cb 0.30 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.30 3g33 n MET 197 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 3g33 s TYR 198 N -2.80 2.86 0.30 2.03 1.51 -0.59 -4.92 117.35 115.76 3g33 s TYR 198 Ca 0.19 1.36 -0.30 0.00 -1.01 0.00 0.00 57.07 57.32 3g33 s TYR 198 Cb 0.19 -3.75 -0.11 0.00 -0.11 0.00 0.00 41.96 38.18 3g33 s TYR 198 CO 0.55 -2.19 1.55 -2.14 -1.11 0.00 0.00 175.55 172.21 3g33 s PRO 199 N -2.03 4.14 0.27 -1.71 0.02 -1.26 -4.89 135.00 129.55 3g33 s PRO 199 Ca 0.53 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.09 3g33 s PRO 199 Cb -0.41 -3.02 0.60 0.00 0.02 0.00 0.00 34.50 31.69 3g33 s PRO 199 CO 0.54 -0.58 1.73 -1.35 -0.33 0.00 0.00 177.00 177.01 3g33 h PRO 200 N 4.50 0.51 -0.91 5.54 0.11 -1.91 -1.20 132.00 138.64 3g33 h PRO 200 Ca -0.48 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.64 3g33 h PRO 200 Cb 1.22 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 3g33 h PRO 200 CO 0.76 0.34 0.59 0.66 -0.21 0.00 0.00 178.00 180.14 3g33 h SER 201 N 0.52 0.98 -0.38 -2.05 4.64 -1.90 0.15 113.55 115.52 3g33 h SER 201 Ca 0.49 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.65 3g33 h SER 201 Cb 0.80 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3g33 h SER 201 CO -0.43 0.68 -0.38 -0.03 -0.87 0.00 0.00 176.83 175.80 3g33 h MET 202 N 1.15 0.93 -0.75 4.77 -1.53 -1.61 0.85 114.93 118.73 3g33 h MET 202 Ca 0.36 -0.49 -0.02 0.00 -3.44 0.00 0.00 59.70 56.11 3g33 h MET 202 Cb -0.00 0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.03 3g33 h MET 202 CO -0.12 1.15 0.40 0.82 0.14 0.00 0.00 176.91 179.30 3g33 h ILE 203 N 0.75 1.23 0.52 1.77 2.04 -1.00 0.55 117.51 123.36 3g33 h ILE 203 Ca 0.06 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 3g33 h ILE 203 Cb 0.98 0.25 0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3g33 h ILE 203 CO 0.09 0.26 -0.25 0.00 0.00 0.00 0.00 178.15 178.25 3g33 h ALA 204 N 1.20 -0.70 0.00 1.87 0.00 -0.80 -0.68 119.26 120.16 3g33 h ALA 204 Ca 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3g33 h ALA 204 Cb 0.05 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3g33 h ALA 204 CO -0.04 -0.71 -0.03 0.00 0.00 0.00 0.00 179.25 178.47 3g33 h THR 205 N -1.07 0.28 0.10 0.00 1.03 -0.83 -0.12 112.91 112.29 3g33 h THR 205 Ca -0.07 -0.19 -0.24 0.00 -0.01 0.00 0.00 66.41 65.90 3g33 h THR 205 Cb 0.61 1.14 -0.00 0.00 -1.07 0.00 0.00 68.15 68.82 3g33 h THR 205 CO 0.12 0.03 -1.22 1.23 -0.01 0.00 0.00 175.52 175.66 3g33 h GLY 206 N 0.43 0.25 2.00 2.99 0.00 -0.84 -3.05 103.07 104.85 3g33 h GLY 206 Ca -0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.63 3g33 h GLY 206 CO 0.00 0.55 -0.34 1.48 0.00 0.00 0.00 176.54 178.23 3g33 h SER 207 N -0.42 0.00 1.93 0.19 4.64 -0.90 -2.00 113.55 116.99 3g33 h SER 207 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3g33 h SER 207 Cb 1.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 3g33 h SER 207 CO 0.05 0.34 0.00 -0.29 -0.87 0.00 0.00 176.83 176.06 3g33 h ILE 208 N 0.00 0.00 0.23 0.95 2.10 -1.15 -2.31 117.51 117.32 3g33 h ILE 208 Ca -0.00 -0.94 -0.34 0.00 1.08 0.00 0.00 64.86 64.66 3g33 h ILE 208 Cb 1.05 1.94 0.03 0.00 -1.09 0.00 0.00 36.82 38.74 3g33 h ILE 208 CO 0.04 0.00 -1.54 1.23 -1.08 0.00 0.00 178.15 176.80 3g33 h GLY 209 N 3.99 0.55 1.75 8.18 0.00 -1.38 -2.65 103.07 113.52 3g33 h GLY 209 Ca 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 47.33 45.91 3g33 h GLY 209 CO 0.00 1.22 0.04 0.00 0.00 0.00 0.00 176.54 177.80 3g33 h ALA 210 N 0.19 1.66 0.09 3.60 0.00 -1.31 -1.69 119.26 121.79 3g33 h ALA 210 Ca -0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3g33 h ALA 210 Cb 2.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.83 3g33 h ALA 210 CO 0.24 0.27 -0.04 0.00 0.00 0.00 0.00 179.25 179.72 3g33 h ALA 211 N 1.73 -0.12 -0.55 0.00 0.00 -1.47 -2.92 119.26 115.94 3g33 h ALA 211 Ca 0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3g33 h ALA 211 Cb 0.15 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3g33 h ALA 211 CO -0.00 -0.19 0.33 0.28 0.00 0.00 0.00 179.25 179.67 3g33 h VAL 212 N -0.88 1.16 0.00 0.00 2.07 -1.42 -1.30 116.25 115.89 3g33 h VAL 212 Ca -0.01 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 3g33 h VAL 212 Cb 0.58 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3g33 h VAL 212 CO 0.02 0.17 -0.45 -0.61 0.02 0.00 0.00 177.57 176.72 3g33 h GLN 213 N 0.75 0.00 -0.04 1.57 4.15 -1.41 -0.82 115.11 119.31 3g33 h GLN 213 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.62 3g33 h GLN 213 Cb -0.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.67 3g33 h GLN 213 CO -0.04 0.45 0.00 0.41 -1.93 0.00 0.00 178.83 177.72 3g33 n GLY 214 N 0.21 -0.25 0.00 2.39 0.00 -0.55 -3.61 105.19 103.38 3g33 n GLY 214 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3g33 n GLY 214 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g33 n LEU 215 N -0.14 0.83 -0.88 0.99 4.77 -0.85 -5.07 117.00 116.66 3g33 n LEU 215 Ca 0.19 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 3g33 n LEU 215 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3g33 n LEU 215 CO 0.16 0.21 -0.21 0.61 -1.33 0.00 0.00 177.39 176.82 3g33 n GLY 216 N -0.08 -4.14 0.00 -0.72 0.00 -0.36 -5.05 105.19 94.85 3g33 n GLY 216 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3g33 n GLY 216 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g33 n SER 221 N 0.09 0.00 0.05 1.61 3.41 -1.26 -5.01 113.62 112.51 3g33 n SER 221 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 3g33 n SER 221 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 3g33 n SER 221 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3g33 h GLY 222 N 0.00 0.41 0.93 5.00 0.00 -2.02 -3.21 103.07 104.19 3g33 h GLY 222 Ca 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 47.33 46.26 3g33 h GLY 222 CO 0.00 0.91 0.13 -0.55 0.00 0.00 0.00 176.54 177.03 3g33 h ASP 223 N 0.10 0.56 0.40 0.19 5.19 -2.04 0.91 116.42 121.72 3g33 h ASP 223 Ca -0.36 -0.20 -0.06 0.00 -0.62 0.00 0.00 57.03 55.79 3g33 h ASP 223 Cb 2.08 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 41.44 3g33 h ASP 223 CO 0.15 0.60 -0.28 -0.33 -3.12 0.00 0.00 179.24 176.26 3g33 h GLU 224 N 0.48 0.00 0.02 3.56 5.08 -2.00 -2.11 114.58 119.61 3g33 h GLU 224 Ca 0.13 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3g33 h GLU 224 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3g33 h GLU 224 CO -0.01 0.28 -0.18 1.25 -1.00 0.00 0.00 179.01 179.35 3g33 h LEU 225 N 0.00 0.13 -1.60 1.33 6.46 -1.45 -2.81 115.31 117.38 3g33 h LEU 225 Ca -0.00 -0.87 -0.03 0.00 -0.12 0.00 0.00 57.88 56.85 3g33 h LEU 225 Cb 0.56 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 3g33 h LEU 225 CO 0.04 0.99 -0.09 0.71 -0.62 0.00 0.00 178.44 179.46 3g33 h THR 226 N -0.71 1.13 0.00 1.05 1.35 -0.76 -1.38 112.91 113.58 3g33 h THR 226 Ca -0.03 -0.55 -0.17 0.00 -0.55 0.00 0.00 66.41 65.11 3g33 h THR 226 Cb 1.03 1.16 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 3g33 h THR 226 CO 0.04 0.17 -0.83 -0.33 -0.25 0.00 0.00 175.52 174.32 3g33 h GLU 227 N 0.14 0.00 -0.19 4.72 5.08 -1.46 -1.41 114.58 121.46 3g33 h GLU 227 Ca 0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3g33 h GLU 227 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3g33 h GLU 227 CO 0.01 0.83 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.73 3g33 h LEU 228 N 0.00 0.37 -0.30 1.33 3.38 -1.11 -1.99 115.31 117.00 3g33 h LEU 228 Ca -0.01 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 3g33 h LEU 228 Cb 1.48 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 3g33 h LEU 228 CO 0.11 0.66 0.06 -0.07 0.09 0.00 0.00 178.44 179.29 3g33 h LEU 229 N 0.07 0.46 -0.81 1.67 3.38 -1.27 -3.02 115.31 115.78 3g33 h LEU 229 Ca 0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3g33 h LEU 229 Cb 0.51 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3g33 h LEU 229 CO 0.02 0.59 0.40 0.00 0.09 0.00 0.00 178.44 179.54 3g33 h ALA 230 N 0.89 1.05 0.00 1.53 0.00 -1.31 -2.13 119.26 119.29 3g33 h ALA 230 Ca 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3g33 h ALA 230 Cb 0.32 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3g33 h ALA 230 CO 0.00 0.61 -0.01 0.78 0.00 0.00 0.00 179.25 180.63 3g33 h GLY 231 N 1.15 0.00 0.05 0.00 0.00 -1.24 0.59 103.07 103.62 3g33 h GLY 231 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 3g33 h GLY 231 CO -0.04 0.00 -0.02 -2.22 0.00 0.00 0.00 176.54 174.26 3g33 h ILE 232 N 0.00 0.21 -0.00 2.60 2.04 -1.27 -3.36 117.51 117.73 3g33 h ILE 232 Ca -0.00 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.76 3g33 h ILE 232 Cb 0.03 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3g33 h ILE 232 CO 0.00 0.07 -0.02 0.35 0.00 0.00 0.00 178.15 178.55 3g33 n THR 233 N -4.80 0.00 -1.04 -0.27 -2.24 -1.14 -4.89 114.28 99.89 3g33 n THR 233 Ca -0.02 -0.06 -0.01 0.00 -2.27 0.00 0.00 64.05 61.69 3g33 n THR 233 Cb 0.08 -0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.07 3g33 n THR 233 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g33 n GLY 234 N 1.12 0.45 3.86 3.38 0.00 0.16 -5.01 105.19 109.15 3g33 n GLY 234 Ca 0.20 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3g33 n GLY 234 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g33 s THR 235 N -1.79 2.66 0.23 2.61 -4.23 -1.00 -5.00 115.64 109.12 3g33 s THR 235 Ca 0.00 0.21 -0.14 0.00 -1.18 0.00 0.00 61.69 60.59 3g33 s THR 235 Cb 0.00 -3.12 -0.08 0.00 1.34 0.00 0.00 72.50 70.64 3g33 s THR 235 CO 0.00 -0.28 0.63 -1.61 -0.54 0.00 0.00 174.62 172.82 3g33 s GLU 236 N -5.38 3.97 0.33 3.99 2.02 -1.26 -4.57 118.70 117.79 3g33 s GLU 236 Ca 0.61 0.52 0.02 0.00 0.02 0.00 0.00 54.97 56.15 3g33 s GLU 236 Cb -0.12 -2.69 0.56 0.00 0.10 0.00 0.00 34.13 31.98 3g33 s GLU 236 CO 0.52 0.32 1.90 0.28 0.02 0.00 0.00 175.26 178.30 3g33 h VAL 237 N 2.30 1.19 0.79 2.63 2.07 -1.94 -1.96 116.25 121.33 3g33 h VAL 237 Ca -0.48 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 3g33 h VAL 237 Cb 1.18 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3g33 h VAL 237 CO 0.67 0.25 -0.38 0.44 0.02 0.00 0.00 177.57 178.57 3g33 h ASP 238 N 0.67 -0.89 -0.05 0.57 3.45 -1.98 -2.49 116.42 115.70 3g33 h ASP 238 Ca 0.16 0.03 0.04 0.00 0.43 0.00 0.00 57.03 57.68 3g33 h ASP 238 Cb 0.21 0.23 -0.06 0.00 -0.56 0.00 0.00 39.33 39.15 3g33 h ASP 238 CO -0.01 -0.63 -0.39 0.00 -1.57 0.00 0.00 179.24 176.64 3g33 h LEU 240 N -0.52 -0.07 0.50 0.00 5.85 -1.34 0.20 115.31 119.93 3g33 h LEU 240 Ca 0.06 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3g33 h LEU 240 Cb 0.62 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.89 3g33 h LEU 240 CO -0.33 -0.09 -0.24 0.03 -0.34 0.00 0.00 178.44 177.47 3g33 h ARG 241 N 0.22 -0.65 -1.00 1.25 3.08 -1.05 0.53 114.38 116.76 3g33 h ARG 241 Ca 0.43 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.64 3g33 h ARG 241 Cb 0.77 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.88 3g33 h ARG 241 CO -0.56 -0.37 0.63 0.00 -1.07 0.00 0.00 179.97 178.60 3g33 h ALA 242 N -0.39 1.51 0.20 0.04 0.00 -0.91 0.18 119.26 119.88 3g33 h ALA 242 Ca -0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3g33 h ALA 242 Cb 0.58 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3g33 h ALA 242 CO 0.11 0.26 -0.10 0.00 0.00 0.00 0.00 179.25 179.53 3g33 h GLN 244 N -0.62 0.77 -0.34 0.00 4.15 0.54 -1.61 115.11 118.00 3g33 h GLN 244 Ca -0.03 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.24 3g33 h GLN 244 Cb 0.45 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 3g33 h GLN 244 CO 0.05 0.51 -0.22 0.93 -1.93 0.00 0.00 178.83 178.16 3g33 h GLU 245 N 0.79 0.65 -0.31 1.69 5.08 -0.63 -2.51 114.58 119.34 3g33 h GLU 245 Ca 0.37 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 3g33 h GLU 245 Cb 0.29 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3g33 h GLU 245 CO -0.22 0.82 -0.27 0.37 -1.00 0.00 0.00 179.01 178.71 3g33 h GLN 246 N 0.58 0.64 -0.19 2.33 4.15 -0.33 -0.88 115.11 121.40 3g33 h GLN 246 Ca 0.08 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.21 3g33 h GLN 246 Cb 0.69 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 3g33 h GLN 246 CO 0.05 0.85 0.01 0.82 -1.93 0.00 0.00 178.83 178.63 3g33 h ILE 247 N 0.55 1.25 -0.30 2.39 2.04 -1.20 0.11 117.51 122.35 3g33 h ILE 247 Ca 0.07 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 3g33 h ILE 247 Cb 0.75 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 3g33 h ILE 247 CO 0.06 0.25 0.13 -0.33 0.00 0.00 0.00 178.15 178.26 3g33 h GLU 248 N 0.10 0.42 -0.09 2.37 5.08 -1.31 -0.86 114.58 120.28 3g33 h GLU 248 Ca 0.06 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.15 3g33 h GLU 248 Cb 0.37 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.54 3g33 h GLU 248 CO 0.01 0.34 -0.82 0.00 -1.00 0.00 0.00 179.01 177.55 3g33 h ALA 249 N 1.72 0.39 -0.03 3.43 0.00 -0.87 -3.13 119.26 120.78 3g33 h ALA 249 Ca 0.11 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 3g33 h ALA 249 Cb 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3g33 h ALA 249 CO -0.01 0.73 -0.41 0.00 0.00 0.00 0.00 179.25 179.55 3g33 h ALA 250 N 0.69 1.26 -0.04 0.00 0.00 -0.10 -2.98 119.26 118.08 3g33 h ALA 250 Ca -0.06 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3g33 h ALA 250 Cb 1.43 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3g33 h ALA 250 CO 0.15 0.54 0.01 1.25 0.00 0.00 0.00 179.25 181.20 3g33 h LEU 251 N 0.05 0.06 -1.39 0.00 5.85 -1.15 -2.14 115.31 116.60 3g33 h LEU 251 Ca 0.00 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3g33 h LEU 251 Cb 0.76 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3g33 h LEU 251 CO 0.06 0.31 0.00 0.03 -0.34 0.00 0.00 178.44 178.50 3g33 h ARG 252 N -0.18 0.00 -0.31 1.25 3.08 -1.49 -2.91 114.38 113.82 3g33 h ARG 252 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3g33 h ARG 252 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3g33 h ARG 252 CO 0.00 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.29 3g33 n GLU 253 N -2.96 2.39 0.00 0.04 1.02 -1.13 -5.13 120.64 114.86 3g33 n GLU 253 Ca 0.01 -1.94 0.12 0.00 -0.02 0.00 0.00 57.16 55.33 3g33 n GLU 253 Cb 0.29 -1.29 0.72 0.00 -0.02 0.00 0.00 31.44 31.13 3g33 n GLU 253 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18