#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 -0.05 1.61 3.32 -2.03 -3.26 116.42 116.01 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 0.73 -0.09 1.56 -1.72 0.00 0.00 179.24 179.72 3g33 h GLN 25 N 0.00 0.32 -0.01 3.56 4.20 -2.01 -2.11 115.11 119.06 3g33 h GLN 25 Ca -0.01 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.51 3g33 h GLN 25 Cb 1.42 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.14 3g33 h GLN 25 CO 0.09 0.42 -0.58 0.00 -0.67 0.00 0.00 178.83 178.09 3g33 h ARG 26 N 0.31 0.03 0.01 1.46 3.08 -2.02 -3.10 114.38 114.14 3g33 h ARG 26 Ca 0.06 -0.02 -0.25 0.00 0.07 0.00 0.00 59.98 59.85 3g33 h ARG 26 Cb 0.35 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.43 3g33 h ARG 26 CO 0.02 0.60 -0.97 0.28 -1.07 0.00 0.00 179.97 178.83 3g33 h VAL 27 N 0.02 1.31 -0.06 2.04 2.07 -1.50 -3.21 116.25 116.92 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 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 3g33 h VAL 27 CO 0.08 0.68 0.00 -0.07 0.02 0.00 0.00 177.57 178.28 3g33 h LEU 28 N 0.29 -0.02 -0.64 2.57 3.38 -1.44 -1.05 115.31 118.39 3g33 h LEU 28 Ca -0.12 0.01 0.11 0.00 0.09 0.00 0.00 57.88 57.97 3g33 h LEU 28 Cb 1.63 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 42.33 3g33 h LEU 28 CO 0.19 -0.00 0.23 1.56 0.09 0.00 0.00 178.44 180.51 3g33 h GLN 29 N 0.02 0.38 -0.10 1.13 4.20 -1.63 -0.11 115.11 119.00 3g33 h GLN 29 Ca 0.03 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3g33 h GLN 29 Cb 0.03 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 3g33 h GLN 29 CO -0.05 0.25 -0.04 0.66 -0.67 0.00 0.00 178.83 178.99 3g33 h SER 30 N 0.39 0.21 -0.15 1.46 4.64 -1.51 -2.11 113.55 116.47 3g33 h SER 30 Ca 0.33 -0.39 0.05 0.00 -0.47 0.00 0.00 61.79 61.32 3g33 h SER 30 Cb 0.45 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.42 3g33 h SER 30 CO -0.35 0.55 -0.29 -0.07 -0.87 0.00 0.00 176.83 175.80 3g33 h LEU 31 N -0.13 -0.92 -0.44 5.97 3.38 -0.72 -1.83 115.31 120.62 3g33 h LEU 31 Ca 0.03 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.23 3g33 h LEU 31 Cb 0.46 0.40 -0.09 0.00 0.09 0.00 0.00 40.66 41.52 3g33 h LEU 31 CO 0.01 -0.33 -0.15 -0.07 0.09 0.00 0.00 178.44 177.99 3g33 h LEU 32 N -0.36 -0.53 -0.78 1.67 3.38 -1.02 -1.73 115.31 115.94 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 0.52 0.32 -0.12 0.00 0.09 0.00 0.00 40.66 41.47 3g33 h LEU 32 CO -0.35 -0.19 0.20 0.03 0.09 0.00 0.00 178.44 178.22 3g33 h ARG 33 N -0.05 0.25 -0.06 1.13 3.08 -0.64 -2.79 114.38 115.31 3g33 h ARG 33 Ca 0.22 -0.02 -0.14 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 -0.48 0.17 -0.60 -0.07 -1.07 0.00 0.00 179.97 177.91 3g33 h LEU 34 N 0.26 0.23 -0.96 3.04 3.38 -0.69 -3.35 115.31 117.22 3g33 h LEU 34 Ca 0.45 -0.13 0.23 0.00 0.09 0.00 0.00 57.88 58.52 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 0.78 -0.11 -0.62 0.09 0.00 0.00 178.44 178.03 3g33 n GLU 35 N -3.86 -0.08 -0.21 1.13 1.02 -1.05 0.10 120.64 117.68 3g33 n GLU 35 Ca -0.02 1.47 0.25 0.00 -0.02 0.00 0.00 57.16 58.84 3g33 n GLU 35 Cb 0.62 -2.26 0.64 0.00 -0.02 0.00 0.00 31.44 30.42 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 0.15 0.00 3.49 5.08 -1.79 0.08 114.58 121.58 3g33 h GLU 36 Ca 0.52 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.76 3g33 h GLU 36 Cb 0.96 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3g33 h GLU 36 CO -0.95 0.10 -0.56 -0.09 -1.00 0.00 0.00 179.01 176.51 3g33 h ARG 37 N 0.15 0.00 -0.69 2.33 2.43 -0.62 -3.25 114.38 114.73 3g33 h ARG 37 Ca 0.46 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 59.14 3g33 h ARG 37 Cb 1.54 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 30.77 3g33 h ARG 37 CO -0.08 0.56 -0.30 0.66 -1.51 0.00 0.00 179.97 179.30 3g33 n TYR 38 N -3.44 2.41 -4.03 2.20 4.02 -0.00 -4.90 117.16 113.42 3g33 n TYR 38 Ca 0.00 -2.25 -0.34 0.00 -0.01 0.00 0.00 57.90 55.31 3g33 n TYR 38 Cb 0.67 -0.61 -0.15 0.00 -0.02 0.00 0.00 39.34 39.23 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 -4.33 2.53 0.06 -0.72 1.01 -1.12 -4.85 120.40 112.98 3g33 s VAL 39 Ca 0.52 -1.00 -0.32 0.00 0.00 0.00 0.00 61.98 61.18 3g33 s VAL 39 Cb 0.43 -2.21 -0.17 0.00 0.00 0.00 0.00 36.38 34.43 3g33 s VAL 39 CO 0.02 0.33 0.78 -2.65 0.00 0.00 0.00 175.10 173.58 3g33 n PRO 40 N 4.64 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 -1.18 0.01 0.00 -0.02 0.00 0.00 33.50 32.78 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 2.05 0.61 -3.84 -0.52 3.08 -1.93 -3.47 114.38 110.35 3g33 h ARG 41 Ca -0.38 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.46 3g33 h ARG 41 Cb 1.28 -0.13 -0.08 0.00 0.08 0.00 0.00 29.97 31.12 3g33 h ARG 41 CO 0.56 0.45 -0.15 0.00 -1.07 0.00 0.00 179.97 179.76 3g33 s ALA 42 N -5.96 0.18 -0.33 0.04 0.00 -1.26 -5.11 121.76 109.31 3g33 s ALA 42 Ca -0.13 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.39 3g33 s ALA 42 Cb 0.11 1.09 0.01 0.00 0.00 0.00 0.00 23.12 24.34 3g33 s ALA 42 CO 0.74 -0.82 1.19 -1.54 0.00 0.00 0.00 175.76 175.33 3g33 s SER 43 N -3.11 6.76 0.00 0.00 1.04 -1.26 -4.89 113.70 112.24 3g33 s SER 43 Ca 0.26 1.03 0.27 0.00 0.48 0.00 0.00 55.95 57.99 3g33 s SER 43 Cb -0.00 -2.54 0.87 0.00 0.10 0.00 0.00 66.02 64.45 3g33 s SER 43 CO 0.13 -1.03 1.64 0.00 0.98 0.00 0.00 173.24 174.96 3g33 n TYR 44 N 7.38 0.00 0.87 5.02 0.18 -1.26 -4.20 117.16 125.15 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 -0.05 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 -0.08 0.00 0.32 -3.48 3.01 -1.26 0.12 117.46 116.09 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 -0.24 1.46 -0.09 -1.08 6.02 -1.26 -4.27 117.38 117.93 3g33 n GLN 46 Ca 0.00 -0.67 -0.11 0.00 -0.01 0.00 0.00 57.00 56.21 3g33 n GLN 46 Cb 0.05 -1.05 -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 3.26 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 -0.93 0.92 0.00 -0.91 0.00 0.00 33.84 33.83 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 1.72 0.00 -0.08 5.55 4.15 -1.78 0.78 115.11 125.46 3g33 h GLN 49 Ca 0.53 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.93 3g33 h GLN 49 Cb 1.43 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.12 3g33 h GLN 49 CO 1.23 0.00 -0.06 0.00 -1.93 0.00 0.00 178.83 178.08 3g33 h ARG 50 N 0.00 0.17 0.00 1.69 3.08 -1.94 -3.42 114.38 113.96 3g33 h ARG 50 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3g33 h ARG 50 Cb 0.26 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3g33 h ARG 50 CO 0.00 0.58 -0.25 0.39 -1.07 0.00 0.00 179.97 179.62 3g33 n GLU 51 N -4.73 4.35 -2.71 0.04 1.02 -1.18 -5.08 120.64 112.36 3g33 n GLU 51 Ca -0.07 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.70 3g33 n GLU 51 Cb 0.28 -0.61 -0.06 0.00 -0.02 0.00 0.00 31.44 31.04 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 -0.51 4.07 -0.03 -3.67 1.01 0.26 -4.77 121.20 117.56 3g33 s ILE 52 Ca 0.00 1.64 -0.11 0.00 0.00 0.00 0.00 60.65 62.18 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 0.07 0.25 -0.54 0.00 0.00 0.00 174.94 174.72 3g33 s LYS 53 N -2.26 0.54 0.36 2.79 1.02 -1.26 -4.68 119.74 116.25 3g33 s LYS 53 Ca 0.53 -0.13 0.15 0.00 0.02 0.00 0.00 55.97 56.55 3g33 s LYS 53 Cb -0.19 0.24 1.05 0.00 -0.52 0.00 0.00 37.83 38.40 3g33 s LYS 53 CO 0.24 -0.13 1.73 -1.35 -0.92 0.00 0.00 175.35 174.92 3g33 h PRO 54 N 4.40 0.42 -0.20 -1.68 0.11 -1.97 0.31 132.00 133.38 3g33 h PRO 54 Ca -0.29 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.71 3g33 h PRO 54 Cb 1.18 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3g33 h PRO 54 CO 0.39 0.28 -0.26 1.12 -0.21 0.00 0.00 178.00 179.32 3g33 h HIS 55 N 0.43 0.41 -0.09 0.65 2.07 -1.99 -2.38 115.15 114.25 3g33 h HIS 55 Ca 0.65 -0.08 -0.14 0.00 -2.85 0.00 0.00 60.37 57.95 3g33 h HIS 55 Cb 1.51 -0.10 -0.01 0.00 2.57 0.00 0.00 27.41 31.38 3g33 h HIS 55 CO -0.01 0.60 -0.55 0.52 -3.07 0.00 0.00 177.93 175.42 3g33 h MET 56 N 0.33 0.26 -0.14 5.12 2.86 -0.82 0.34 114.93 122.88 3g33 h MET 56 Ca 0.05 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 3g33 h MET 56 Cb 0.63 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 3g33 h MET 56 CO 0.05 0.75 -0.32 -0.09 1.06 0.00 0.00 176.91 178.35 3g33 h ARG 57 N 0.20 0.28 0.19 1.72 1.12 -0.93 -0.86 114.38 116.09 3g33 h ARG 57 Ca 0.00 -0.11 -0.33 0.00 -1.11 0.00 0.00 59.98 58.44 3g33 h ARG 57 Cb 1.04 -0.01 0.02 0.00 -0.01 0.00 0.00 29.97 31.00 3g33 h ARG 57 CO 0.09 0.57 -1.54 0.87 -3.11 0.00 0.00 179.97 176.85 3g33 h LYS 58 N 0.24 0.39 -0.66 0.20 1.57 -1.28 -2.64 116.57 114.40 3g33 h LYS 58 Ca 0.03 -0.67 0.03 0.00 -1.87 0.00 0.00 60.65 58.17 3g33 h LYS 58 Cb 0.69 0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 3g33 h LYS 58 CO 0.05 1.30 0.44 0.52 -0.57 0.00 0.00 179.45 181.19 3g33 h MET 59 N 0.11 0.77 -0.05 3.15 2.86 -0.78 -1.20 114.93 119.79 3g33 h MET 59 Ca -0.26 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.15 3g33 h MET 59 Cb 2.09 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 33.57 3g33 h MET 59 CO 0.21 0.51 -0.75 1.25 1.06 0.00 0.00 176.91 179.19 3g33 h LEU 60 N 0.80 0.35 -0.71 1.22 5.85 -1.21 -3.21 115.31 118.39 3g33 h LEU 60 Ca 0.26 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 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 -0.07 0.98 0.36 0.00 -0.34 0.00 0.00 178.44 179.37 3g33 h ALA 61 N 1.01 0.92 0.00 1.25 0.00 -0.86 -1.60 119.26 119.98 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 1.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3g33 h ALA 61 CO 0.12 0.47 -0.41 1.88 0.00 0.00 0.00 179.25 181.31 3g33 h TYR 62 N 0.99 0.00 -0.16 0.00 -1.99 -1.45 -0.96 116.97 113.41 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 -0.00 0.00 2.00 0.00 0.00 36.73 38.82 3g33 h TYR 62 CO 0.00 0.41 -0.60 2.35 -0.00 0.00 0.00 178.16 180.32 3g33 h TRP 63 N 0.00 0.68 -0.28 4.88 7.01 -1.43 -1.16 115.95 125.64 3g33 h TRP 63 Ca -0.00 -0.26 -0.11 0.00 2.11 0.00 0.00 58.89 60.63 3g33 h TRP 63 Cb 0.75 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.67 3g33 h TRP 63 CO 0.00 1.00 -0.29 0.52 -2.79 0.00 0.00 178.44 176.88 3g33 h MET 64 N 0.39 0.58 -0.40 2.65 2.86 -0.91 -2.28 114.93 117.83 3g33 h MET 64 Ca -0.00 -0.25 -0.08 0.00 -2.06 0.00 0.00 59.70 57.31 3g33 h MET 64 Cb 1.16 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 3g33 h MET 64 CO 0.11 0.81 -0.07 1.25 1.06 0.00 0.00 176.91 180.07 3g33 h LEU 65 N 0.50 0.75 -0.32 1.22 5.85 -1.01 -2.16 115.31 120.14 3g33 h LEU 65 Ca 0.06 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.46 3g33 h LEU 65 Cb 0.76 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3g33 h LEU 65 CO 0.06 0.92 0.15 -0.33 -0.34 0.00 0.00 178.44 178.90 3g33 h GLU 66 N 0.56 0.30 -0.41 1.25 5.08 -1.10 -0.68 114.58 119.58 3g33 h GLU 66 Ca 0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3g33 h GLU 66 Cb 0.58 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3g33 h GLU 66 CO 0.03 0.20 0.27 0.28 -1.00 0.00 0.00 179.01 178.79 3g33 h VAL 67 N 0.31 1.11 -0.29 3.13 2.07 -1.29 0.15 116.25 121.44 3g33 h VAL 67 Ca 0.14 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 3g33 h VAL 67 Cb 0.07 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3g33 h VAL 67 CO -0.11 0.11 -0.25 0.00 0.02 0.00 0.00 177.57 177.34 3g33 h GLU 69 N 0.44 0.00 -0.04 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 59.70 3g33 h GLU 69 Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3g33 h GLU 69 CO 0.07 0.28 -0.18 1.49 -1.16 0.00 0.00 179.01 179.51 3g33 h GLU 70 N 0.00 0.19 -0.00 2.33 4.57 -0.31 -3.10 114.58 118.26 3g33 h GLU 70 Ca -0.00 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 3g33 h GLU 70 Cb 0.52 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3g33 h GLU 70 CO 0.04 0.80 0.00 1.04 -1.18 0.00 0.00 179.01 179.70 3g33 n GLN 71 N -4.58 1.03 -3.78 1.92 3.00 0.32 -4.89 117.38 110.40 3g33 n GLN 71 Ca -0.09 -0.04 -0.29 0.00 -0.01 0.00 0.00 57.00 56.57 3g33 n GLN 71 Cb 0.42 -1.40 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 -0.85 -4.46 -0.69 -1.09 5.12 0.37 -4.91 116.66 110.14 3g33 n ARG 72 Ca 0.19 0.54 -0.31 0.00 -1.93 0.00 0.00 57.85 56.34 3g33 n ARG 72 Cb 0.10 -5.35 0.16 0.00 -1.16 0.00 0.00 32.46 26.21 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 -3.91 2.21 0.28 0.00 -0.58 -1.26 -4.82 120.64 112.57 3g33 n GLU 74 Ca 0.11 0.78 0.15 0.00 -0.42 0.00 0.00 57.16 57.78 3g33 n GLU 74 Cb 0.52 -2.42 0.73 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 3.38 0.00 0.00 3.49 4.39 -1.98 -1.42 114.58 122.44 3g33 h GLU 75 Ca -0.46 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.10 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 0.69 0.00 -0.73 0.93 -1.16 0.00 0.00 179.01 178.74 3g33 h GLU 76 N 0.00 0.00 0.21 2.33 5.08 -1.96 -3.37 114.58 116.86 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 0.88 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.10 3g33 h GLU 76 CO -0.00 0.61 -0.38 0.28 -1.00 0.00 0.00 179.01 178.52 3g33 h VAL 77 N 0.00 0.22 -0.18 3.13 2.07 -1.58 -2.46 116.25 117.45 3g33 h VAL 77 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3g33 h VAL 77 Cb 1.51 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 3g33 h VAL 77 CO 0.08 0.00 -0.38 0.15 0.02 0.00 0.00 177.57 177.44 3g33 h PHE 78 N -0.67 -1.16 -0.91 1.57 3.57 -1.77 0.39 116.94 117.96 3g33 h PHE 78 Ca 0.01 0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.68 3g33 h PHE 78 Cb 0.66 0.53 -0.07 0.00 2.79 0.00 0.00 35.95 39.86 3g33 h PHE 78 CO -0.29 -0.36 0.59 -1.35 -2.23 0.00 0.00 178.31 174.66 3g33 h PRO 79 N -0.35 0.79 -0.23 6.41 0.11 -1.79 -0.02 132.00 136.91 3g33 h PRO 79 Ca 0.03 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 3g33 h PRO 79 Cb 0.45 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3g33 h PRO 79 CO -0.35 0.52 0.08 1.25 -0.21 0.00 0.00 178.00 179.28 3g33 h LEU 80 N 0.81 0.34 -0.82 2.35 6.46 -0.72 0.20 115.31 123.93 3g33 h LEU 80 Ca 0.45 -0.20 0.06 0.00 -0.12 0.00 0.00 57.88 58.06 3g33 h LEU 80 Cb 0.57 -0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.36 3g33 h LEU 80 CO -0.21 0.45 0.51 0.00 -0.62 0.00 0.00 178.44 178.56 3g33 h ALA 81 N 0.90 1.12 -0.15 1.25 0.00 0.11 -0.51 119.26 121.99 3g33 h ALA 81 Ca 0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3g33 h ALA 81 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3g33 h ALA 81 CO -0.00 0.26 -0.23 0.52 0.00 0.00 0.00 179.25 179.79 3g33 h MET 82 N 0.94 0.26 -0.24 0.00 2.86 -0.73 -0.85 114.93 117.16 3g33 h MET 82 Ca 0.35 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3g33 h MET 82 Cb 0.14 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3g33 h MET 82 CO -0.16 0.48 0.15 -0.97 1.06 0.00 0.00 176.91 177.47 3g33 h ASN 83 N 0.23 0.28 -0.38 1.22 -0.73 0.58 -1.43 115.58 115.35 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 0.55 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 39.05 3g33 h ASN 83 CO 0.04 0.23 0.24 1.88 -0.37 0.00 0.00 177.43 179.45 3g33 h TYR 84 N 0.31 0.49 0.16 0.67 0.05 -0.83 -2.23 116.97 115.59 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 -0.01 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 37.53 3g33 h TYR 84 CO -0.05 0.33 -0.49 1.25 -1.05 0.00 0.00 178.16 178.15 3g33 h LEU 85 N 0.50 -1.46 -0.55 3.88 5.85 -0.87 -0.14 115.31 122.53 3g33 h LEU 85 Ca 0.14 0.15 0.06 0.00 0.84 0.00 0.00 57.88 59.07 3g33 h LEU 85 Cb -0.03 0.54 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 3g33 h LEU 85 CO -0.03 -0.55 0.27 0.44 -0.34 0.00 0.00 178.44 178.23 3g33 h ASP 86 N -0.75 0.36 -0.74 1.25 3.32 -1.21 0.36 116.42 119.01 3g33 h ASP 86 Ca -0.00 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3g33 h ASP 86 Cb 0.75 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 3g33 h ASP 86 CO -0.25 0.24 0.37 0.03 -1.72 0.00 0.00 179.24 177.91 3g33 h ARG 87 N 0.51 1.07 -0.32 3.56 3.08 -1.13 -1.13 114.38 120.02 3g33 h ARG 87 Ca 0.25 -0.14 -0.17 0.00 0.07 0.00 0.00 59.98 59.99 3g33 h ARG 87 Cb 0.19 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3g33 h ARG 87 CO -0.19 0.82 -0.47 -0.92 -1.07 0.00 0.00 179.97 178.13 3g33 h TYR 88 N 1.07 1.09 0.00 3.04 3.20 -0.30 -3.00 116.97 122.06 3g33 h TYR 88 Ca 0.26 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.77 3g33 h TYR 88 Cb 0.09 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.15 3g33 h TYR 88 CO 0.01 1.19 0.00 1.28 -1.64 0.00 0.00 178.16 179.00 3g33 n LEU 89 N -4.05 0.43 0.09 2.82 4.77 0.05 -1.38 117.00 119.73 3g33 n LEU 89 Ca -0.04 0.58 -0.07 0.00 -0.03 0.00 0.00 56.01 56.45 3g33 n LEU 89 Cb 0.59 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 3g33 n LEU 89 CO 0.49 -0.33 0.33 0.28 -1.33 0.00 0.00 177.39 176.83 3g33 h SER 90 N 0.00 0.24 0.00 -1.43 0.02 -1.06 -3.37 113.55 107.95 3g33 h SER 90 Ca 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3g33 h SER 90 Cb 0.42 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3g33 h SER 90 CO 0.00 0.93 -0.40 0.00 -1.14 0.00 0.00 176.83 176.22 3g33 s VAL 92 N -1.36 2.22 -0.84 0.00 1.01 -0.48 -5.06 120.40 115.88 3g33 s VAL 92 Ca 0.00 -1.40 -0.25 0.00 0.00 0.00 0.00 61.98 60.32 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 0.13 1.49 -2.84 0.00 0.00 0.00 175.10 173.88 3g33 s PRO 93 N 1.17 3.19 0.55 2.72 0.02 -1.26 -4.42 135.00 136.98 3g33 s PRO 93 Ca -0.05 -0.46 0.00 0.00 0.02 0.00 0.00 61.00 60.52 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 0.78 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 -5.04 115.64 115.58 3g33 s THR 94 Ca 0.47 -0.59 0.06 0.00 -1.18 0.00 0.00 61.69 60.45 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 0.00 175.30 177.42 3g33 h LYS 96 N 1.16 -0.09 0.00 3.54 3.64 -2.00 -2.38 116.57 120.46 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 0.00 179.45 177.62 3g33 h ALA 97 N 1.14 1.11 -0.15 5.00 0.00 -1.98 -2.38 119.26 122.00 3g33 h ALA 97 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3g33 h ALA 97 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3g33 h ALA 97 CO -0.34 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.06 3g33 n GLN 98 N -3.34 1.86 0.01 0.00 6.02 -0.90 -4.35 117.38 116.68 3g33 n GLN 98 Ca -0.01 -1.28 -0.12 0.00 -0.01 0.00 0.00 57.00 55.57 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 2.72 0.03 -0.93 1.08 5.85 -1.36 -1.03 115.31 121.67 3g33 h LEU 99 Ca 0.00 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3g33 h LEU 99 Cb 0.59 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 3g33 h LEU 99 CO 0.00 0.24 0.55 -0.61 -0.34 0.00 0.00 178.44 178.28 3g33 h GLN 100 N -0.18 1.28 -0.11 1.25 4.15 -1.80 -0.51 115.11 119.19 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 0.22 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 3g33 h GLN 100 CO -0.00 0.91 0.06 1.25 -1.93 0.00 0.00 178.83 179.12 3g33 h LEU 101 N 1.30 0.09 -0.87 -2.39 5.85 -1.78 -2.15 115.31 115.36 3g33 h LEU 101 Ca 0.33 0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.09 3g33 h LEU 101 Cb -0.03 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3g33 h LEU 101 CO -0.06 0.07 0.56 0.25 -0.34 0.00 0.00 178.44 178.92 3g33 h LEU 102 N 0.12 0.93 -0.49 2.25 5.85 -0.70 -2.65 115.31 120.63 3g33 h LEU 102 Ca 0.04 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3g33 h LEU 102 Cb 0.00 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3g33 h LEU 102 CO -0.02 0.64 0.31 1.23 -0.34 0.00 0.00 178.44 180.25 3g33 h GLY 103 N 1.09 0.68 0.99 3.75 0.00 -0.76 -2.38 103.07 106.44 3g33 h GLY 103 Ca 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 3g33 h GLY 103 CO -0.12 0.22 0.29 0.00 0.00 0.00 0.00 176.54 176.94 3g33 h ALA 104 N 1.19 0.69 0.05 3.60 0.00 -1.10 -1.50 119.26 122.19 3g33 h ALA 104 Ca 0.18 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3g33 h ALA 104 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3g33 h ALA 104 CO -0.06 0.21 -0.10 0.28 0.00 0.00 0.00 179.25 179.57 3g33 h VAL 105 N 0.72 0.75 -0.47 0.00 2.07 -1.24 0.33 116.25 118.41 3g33 h VAL 105 Ca 0.19 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.79 3g33 h VAL 105 Cb 0.05 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 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 0.22 -0.67 -0.26 0.00 4.05 -0.64 0.74 114.93 118.37 3g33 h MET 107 Ca 0.23 0.05 0.04 0.00 -0.28 0.00 0.00 59.70 59.73 3g33 h MET 107 Cb 0.30 0.15 -0.07 0.00 -0.80 0.00 0.00 31.60 31.19 3g33 h MET 107 CO -0.31 -0.45 -0.49 1.25 0.23 0.00 0.00 176.91 177.15 3g33 h LEU 108 N -0.69 -1.60 -0.03 3.39 5.85 0.62 -0.83 115.31 122.00 3g33 h LEU 108 Ca 0.01 0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.97 3g33 h LEU 108 Cb 0.73 0.64 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 3g33 h LEU 108 CO -0.31 -0.39 -0.34 -0.07 -0.34 0.00 0.00 178.44 176.99 3g33 h LEU 109 N -0.42 -1.02 -0.67 2.25 3.38 -0.48 0.18 115.31 118.52 3g33 h LEU 109 Ca 0.05 0.14 0.14 0.00 0.09 0.00 0.00 57.88 58.30 3g33 h LEU 109 Cb 0.56 0.41 -0.12 0.00 0.09 0.00 0.00 40.66 41.60 3g33 h LEU 109 CO -0.47 -0.39 -0.03 0.00 0.09 0.00 0.00 178.44 177.64 3g33 h ALA 110 N 0.25 0.62 -0.10 1.53 0.00 -0.51 -0.63 119.26 120.42 3g33 h ALA 110 Ca 0.07 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3g33 h ALA 110 Cb 0.57 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3g33 h ALA 110 CO -0.30 -0.41 0.04 1.03 0.00 0.00 0.00 179.25 179.61 3g33 h SER 111 N 0.09 0.14 -0.37 0.00 0.87 -0.41 -2.60 113.55 111.27 3g33 h SER 111 Ca 0.35 -0.17 0.11 0.00 -1.23 0.00 0.00 61.79 60.84 3g33 h SER 111 Cb 0.58 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3g33 h SER 111 CO -0.60 0.28 0.34 0.11 -0.53 0.00 0.00 176.83 176.42 3g33 h LYS 112 N 0.00 0.00 0.00 2.24 1.57 0.75 -0.16 116.57 120.97 3g33 h LYS 112 Ca 0.03 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 3g33 h LYS 112 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3g33 h LYS 112 CO -0.00 0.00 -1.43 -0.11 -0.57 0.00 0.00 179.45 177.33 3g33 n LEU 113 N -3.96 0.75 0.00 2.94 7.94 -0.43 -4.55 117.00 119.69 3g33 n LEU 113 Ca 0.06 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.28 3g33 n LEU 113 Cb 0.51 0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.53 3g33 n LEU 113 CO 0.30 0.09 0.34 -1.14 -1.11 0.00 0.00 177.39 175.88 3g33 n ARG 114 N -2.80 1.20 -4.68 1.96 0.63 -0.77 -5.05 116.66 107.15 3g33 n ARG 114 Ca -0.09 -0.89 -0.25 0.00 -0.92 0.00 0.00 57.85 55.70 3g33 n ARG 114 Cb 0.79 -0.72 -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 -0.41 1.36 0.10 -0.14 2.02 -0.14 -4.91 118.70 116.57 3g33 s GLU 115 Ca 0.00 -0.83 -0.23 0.00 0.02 0.00 0.00 54.97 53.93 3g33 s GLU 115 Cb 0.00 -1.41 -0.13 0.00 0.10 0.00 0.00 34.13 32.69 3g33 s GLU 115 CO 0.00 0.37 1.73 0.00 0.02 0.00 0.00 175.26 177.38 3g33 h THR 116 N 4.47 0.95 -3.32 3.63 1.03 -1.95 -3.34 112.91 114.38 3g33 h THR 116 Ca -0.40 0.00 -0.64 0.00 -0.01 0.00 0.00 66.41 65.36 3g33 h THR 116 Cb 1.16 0.95 -0.41 0.00 -1.07 0.00 0.00 68.15 68.78 3g33 h THR 116 CO 0.45 0.00 -0.60 -0.89 -0.01 0.00 0.00 175.52 174.47 3g33 s THR 117 N -6.19 2.74 1.18 0.00 2.01 -1.26 -5.11 115.64 109.01 3g33 s THR 117 Ca -0.13 -3.53 -0.14 0.00 0.31 0.00 0.00 61.69 58.20 3g33 s THR 117 Cb 0.07 -2.87 0.29 0.00 0.01 0.00 0.00 72.50 70.00 3g33 s THR 117 CO 0.66 -0.85 1.02 -2.84 -0.69 0.00 0.00 174.62 171.93 3g33 s PRO 118 N -0.56 -1.06 0.18 4.92 0.02 -1.25 -4.97 135.00 132.28 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 -0.08 0.00 0.02 0.00 0.00 34.50 32.68 3g33 s PRO 118 CO -0.04 -3.77 1.06 -0.51 -0.33 0.00 0.00 177.00 173.41 3g33 s LEU 119 N -7.20 4.51 0.65 -5.54 1.43 -1.26 -4.99 118.68 106.28 3g33 s LEU 119 Ca 0.68 2.04 -0.11 0.00 -1.03 0.00 0.00 54.13 55.71 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 -0.16 1.05 0.42 0.23 0.00 0.00 176.35 178.52 3g33 s THR 120 N -0.33 4.40 -0.92 5.49 -4.23 -1.26 -4.90 115.64 113.89 3g33 s THR 120 Ca 0.48 0.78 0.24 0.00 -1.18 0.00 0.00 61.69 62.01 3g33 s THR 120 Cb -0.28 -3.72 0.21 0.00 1.34 0.00 0.00 72.50 70.05 3g33 s THR 120 CO 0.34 -1.02 1.75 2.30 -0.54 0.00 0.00 174.62 177.45 3g33 n ILE 121 N -2.87 0.45 0.09 2.99 -5.35 -1.26 -2.88 119.36 110.52 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 -0.72 -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 -0.71 6.28 5.08 -1.98 -2.54 114.58 121.10 3g33 h GLU 122 Ca 0.00 -0.65 -0.03 0.00 -1.00 0.00 0.00 59.36 57.68 3g33 h GLU 122 Cb 0.45 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 3g33 h GLU 122 CO 0.00 1.28 0.31 0.87 -1.00 0.00 0.00 179.01 180.47 3g33 h LYS 123 N 0.10 1.04 0.00 2.33 1.57 -1.92 -1.34 116.57 118.36 3g33 h LYS 123 Ca -0.29 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.26 3g33 h LYS 123 Cb 2.09 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 34.21 3g33 h LYS 123 CO 0.19 0.84 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.59 3g33 h LEU 124 N 1.00 0.00 -0.61 2.94 3.38 -1.66 -3.05 115.31 117.31 3g33 h LEU 124 Ca 0.24 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.07 3g33 h LEU 124 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3g33 h LEU 124 CO -0.02 0.26 -0.39 0.00 0.09 0.00 0.00 178.44 178.37 3g33 h ILE 126 N 0.54 0.71 0.00 0.00 3.07 -1.30 -2.41 117.51 118.12 3g33 h ILE 126 Ca 0.05 -1.88 -0.11 0.00 1.55 0.00 0.00 64.86 64.47 3g33 h ILE 126 Cb 0.91 2.26 -0.02 0.00 -0.27 0.00 0.00 36.82 39.70 3g33 h ILE 126 CO 0.08 0.38 -0.55 1.88 -1.05 0.00 0.00 178.15 178.90 3g33 h TYR 127 N 0.00 0.00 -0.12 0.16 -1.99 -1.41 -2.52 116.97 111.10 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 1.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.96 3g33 h TYR 127 CO 0.00 0.55 0.00 0.25 -0.00 0.00 0.00 178.16 178.96 3g33 n THR 128 N -3.68 0.31 -2.76 -2.88 -2.24 -1.04 -4.85 114.28 97.15 3g33 n THR 128 Ca -0.01 -0.21 -0.18 0.00 -2.27 0.00 0.00 64.05 61.39 3g33 n THR 128 Cb 0.59 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.02 -4.41 -1.43 3.42 -0.08 -0.95 -0.88 116.55 112.20 3g33 n ASP 129 Ca 0.05 -0.05 -0.18 0.00 -1.51 0.00 0.00 54.79 53.10 3g33 n ASP 129 Cb 0.24 -3.68 -0.07 0.00 2.34 0.00 0.00 41.12 39.95 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 -0.07 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 -3.11 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 0.07 0.81 -3.18 -1.41 0.00 -1.26 -3.41 119.26 110.87 3g33 h ALA 131 Ca -0.37 -0.30 -0.70 0.00 0.00 0.00 0.00 54.91 53.54 3g33 h ALA 131 Cb 1.19 -0.05 -0.31 0.00 0.00 0.00 0.00 17.79 18.62 3g33 h ALA 131 CO 0.54 0.41 -0.60 0.08 0.00 0.00 0.00 179.25 179.68 3g33 s VAL 132 N -3.13 3.57 0.56 0.00 1.01 -1.26 -5.08 120.40 116.07 3g33 s VAL 132 Ca 0.04 -1.40 -0.19 0.00 0.00 0.00 0.00 61.98 60.43 3g33 s VAL 132 Cb 0.07 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 3g33 s VAL 132 CO 0.71 -0.30 1.12 -0.94 0.00 0.00 0.00 175.10 175.68 3g33 s SER 133 N 1.56 5.63 0.54 3.32 1.04 -1.26 -4.78 113.70 119.75 3g33 s SER 133 Ca -0.00 2.13 0.23 0.00 0.48 0.00 0.00 55.95 58.79 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 0.00 -1.28 2.07 1.55 0.98 0.00 0.00 173.24 176.57 3g33 h PRO 134 N 0.98 0.00 -0.18 4.02 0.13 -1.97 -1.50 132.00 133.48 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 1.26 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 0.07 0.00 -0.23 0.00 0.00 178.00 178.41 3g33 h ARG 135 N 0.00 0.27 -0.60 0.86 3.08 -1.98 -2.72 114.38 113.29 3g33 h ARG 135 Ca 0.13 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.16 3g33 h ARG 135 Cb 0.57 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3g33 h ARG 135 CO -0.00 0.33 0.40 1.96 -1.07 0.00 0.00 179.97 181.59 3g33 h GLN 136 N 0.14 0.71 -0.32 0.04 4.20 -1.65 -2.77 115.11 115.47 3g33 h GLN 136 Ca 0.06 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.57 3g33 h GLN 136 Cb 0.16 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3g33 h GLN 136 CO -0.01 0.47 -0.42 1.25 -0.67 0.00 0.00 178.83 179.45 3g33 h LEU 137 N 0.74 0.86 -0.10 1.46 5.85 -1.27 -1.17 115.31 121.67 3g33 h LEU 137 Ca 0.24 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3g33 h LEU 137 Cb 0.04 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 3g33 h LEU 137 CO -0.06 1.16 0.01 0.03 -0.34 0.00 0.00 178.44 179.24 3g33 h ARG 138 N 0.64 0.18 0.00 1.25 3.08 -1.22 -2.06 114.38 116.25 3g33 h ARG 138 Ca 0.05 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3g33 h ARG 138 Cb 0.99 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.02 3g33 h ARG 138 CO 0.09 0.40 -0.00 -0.44 -1.07 0.00 0.00 179.97 178.95 3g33 h ASP 139 N -0.08 -0.00 0.61 7.04 3.32 -1.46 -2.98 116.42 122.87 3g33 h ASP 139 Ca 0.03 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3g33 h ASP 139 Cb 0.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 3g33 h ASP 139 CO 0.00 0.09 -0.14 -0.50 -1.72 0.00 0.00 179.24 176.98 3g33 h TRP 140 N -0.10 0.00 -0.59 4.55 4.06 -1.24 -1.22 115.95 121.40 3g33 h TRP 140 Ca -0.00 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 3g33 h TRP 140 Cb 0.10 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.23 3g33 h TRP 140 CO -0.05 0.14 0.21 1.49 -3.56 0.00 0.00 178.44 176.67 3g33 h GLU 141 N 0.00 0.90 -0.13 0.49 4.81 -1.22 0.28 114.58 119.71 3g33 h GLU 141 Ca -0.00 -0.18 -0.14 0.00 -0.13 0.00 0.00 59.36 58.91 3g33 h GLU 141 Cb 0.48 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3g33 h GLU 141 CO 0.02 0.79 -0.51 0.28 -0.73 0.00 0.00 179.01 178.86 3g33 h VAL 142 N 0.83 1.34 -0.13 0.32 2.07 -1.27 -2.43 116.25 116.98 3g33 h VAL 142 Ca 0.19 -1.76 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 3g33 h VAL 142 Cb 0.25 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3g33 h VAL 142 CO -0.01 0.53 -0.01 0.25 0.02 0.00 0.00 177.57 178.36 3g33 h LEU 143 N 0.29 0.23 -0.55 2.57 5.85 -0.87 -2.46 115.31 120.36 3g33 h LEU 143 Ca 0.01 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.31 3g33 h LEU 143 Cb 1.00 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 3g33 h LEU 143 CO 0.09 0.50 -0.01 0.58 -0.34 0.00 0.00 178.44 179.26 3g33 h VAL 144 N -0.04 1.27 -0.31 1.05 2.07 -0.97 -2.38 116.25 116.94 3g33 h VAL 144 Ca 0.04 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.46 3g33 h VAL 144 Cb 0.39 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3g33 h VAL 144 CO 0.01 0.41 0.09 -0.07 0.02 0.00 0.00 177.57 178.03 3g33 h LEU 145 N 0.87 0.09 -0.80 2.57 3.38 -1.43 -0.81 115.31 119.18 3g33 h LEU 145 Ca 0.16 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3g33 h LEU 145 Cb 0.56 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3g33 h LEU 145 CO 0.03 0.09 0.40 1.23 0.09 0.00 0.00 178.44 180.27 3g33 h GLY 146 N 0.22 1.23 2.00 0.83 0.00 -1.33 0.64 103.07 106.67 3g33 h GLY 146 Ca 0.14 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 3g33 h GLY 146 CO -0.15 0.58 -0.31 0.50 0.00 0.00 0.00 176.54 177.15 3g33 h LYS 147 N 1.13 0.00 -0.70 4.80 1.79 -1.09 -1.85 116.57 120.65 3g33 h LYS 147 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 3g33 h LYS 147 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3g33 h LYS 147 CO -0.04 0.31 0.00 1.28 -1.08 0.00 0.00 179.45 179.92 3g33 n LEU 148 N -3.54 4.34 -3.59 2.94 4.77 -0.34 -4.95 117.00 116.64 3g33 n LEU 148 Ca -0.00 -2.20 -0.26 0.00 -0.03 0.00 0.00 56.01 53.52 3g33 n LEU 148 Cb 0.45 -0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 3g33 n LEU 148 CO 0.35 0.92 -0.03 0.29 -1.33 0.00 0.00 177.39 177.59 3g33 n LYS 149 N 1.44 -3.30 -1.28 3.23 5.02 0.11 -0.99 118.16 122.38 3g33 n LYS 149 Ca 0.25 0.42 -0.12 0.00 -2.02 0.00 0.00 58.31 56.85 3g33 n LYS 149 Cb 0.75 -5.13 -0.05 0.00 -0.02 0.00 0.00 35.03 30.57 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 -4.01 -0.11 -3.02 2.13 7.02 0.20 -4.88 117.44 114.78 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 0.52 -2.64 -0.01 0.00 -2.42 0.00 0.00 31.31 26.76 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 -2.21 6.86 -0.00 -0.99 -1.08 -0.17 -4.74 116.67 114.34 3g33 s ASP 151 Ca 0.00 -2.59 0.07 0.00 -0.52 0.00 0.00 52.55 49.51 3g33 s ASP 151 Cb 0.00 -2.36 -0.08 0.00 -1.46 0.00 0.00 42.92 39.02 3g33 s ASP 151 CO 0.00 -0.83 0.27 0.18 0.52 0.00 0.00 175.17 175.31 3g33 n LEU 152 N 5.60 0.26 -2.45 -1.34 4.77 -1.26 -4.68 117.00 117.90 3g33 n LEU 152 Ca 0.27 -0.40 -0.13 0.00 -0.03 0.00 0.00 56.01 55.72 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 0.52 0.07 1.65 0.00 -1.33 0.00 0.00 177.39 178.30 3g33 n ALA 153 N -1.28 4.91 -1.76 -1.18 0.00 -1.26 -4.90 120.51 115.04 3g33 n ALA 153 Ca 0.01 -1.58 -0.34 0.00 0.00 0.00 0.00 53.44 51.54 3g33 n ALA 153 Cb 0.12 -2.52 -0.02 0.00 0.00 0.00 0.00 19.45 17.03 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 2.03 2.83 -0.29 0.00 0.00 -1.26 -5.02 121.76 120.05 3g33 s ALA 154 Ca 0.46 0.53 -0.19 0.00 0.00 0.00 0.00 51.96 52.77 3g33 s ALA 154 Cb 0.19 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 3g33 s ALA 154 CO -0.01 -0.48 0.54 0.08 0.00 0.00 0.00 175.76 175.89 3g33 s VAL 155 N -2.15 5.03 0.28 0.00 1.01 -1.26 -5.07 120.40 118.24 3g33 s VAL 155 Ca 0.66 0.79 0.10 0.00 0.00 0.00 0.00 61.98 63.53 3g33 s VAL 155 Cb -0.16 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 3g33 s VAL 155 CO 0.26 -0.02 -0.08 0.27 0.00 0.00 0.00 175.10 175.53 3g33 s ILE 156 N 2.40 2.96 0.29 2.22 -4.36 -1.26 -4.80 121.20 118.65 3g33 s ILE 156 Ca 0.22 -2.12 -0.03 0.00 -0.26 0.00 0.00 60.65 58.46 3g33 s ILE 156 Cb -0.15 -2.62 0.44 0.00 1.25 0.00 0.00 42.46 41.37 3g33 s ILE 156 CO 0.10 -0.36 1.55 0.00 0.24 0.00 0.00 174.94 176.47 3g33 n ALA 157 N -0.79 0.38 -0.03 2.27 0.00 -1.26 -0.17 120.51 120.91 3g33 n ALA 157 Ca -0.06 1.08 0.22 0.00 0.00 0.00 0.00 53.44 54.68 3g33 n ALA 157 Cb 0.60 -0.72 0.70 0.00 0.00 0.00 0.00 19.45 20.03 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 0.00 0.00 0.00 6.17 -1.96 -0.44 115.15 118.92 3g33 h HIS 158 Ca 0.54 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.62 3g33 h HIS 158 Cb 1.00 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.93 3g33 h HIS 158 CO -0.63 0.00 0.00 -0.25 0.71 0.00 0.00 177.93 177.76 3g33 n ASP 159 N -4.34 0.00 -0.01 3.26 8.00 0.76 -2.30 116.55 121.93 3g33 n ASP 159 Ca 0.11 -0.28 0.09 0.00 0.71 0.00 0.00 54.79 55.42 3g33 n ASP 159 Cb 0.66 -0.10 -0.13 0.00 -0.02 0.00 0.00 41.12 41.53 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 -1.10 0.00 0.00 1.24 3.72 -0.17 -4.74 117.46 116.41 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 0.07 -0.31 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 -1.96 0.00 -0.29 4.37 4.77 -0.97 -1.89 117.00 121.04 3g33 n LEU 161 Ca -0.02 0.88 0.10 0.00 -0.03 0.00 0.00 56.01 56.94 3g33 n LEU 161 Cb 0.43 -0.38 0.23 0.00 -2.33 0.00 0.00 43.42 41.37 3g33 n LEU 161 CO 0.38 -0.38 0.86 0.00 -1.33 0.00 0.00 177.39 176.92 3g33 h ALA 162 N -1.50 1.02 -0.21 -1.18 0.00 -1.85 -0.04 119.26 115.51 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 18.20 3g33 h ALA 162 CO 0.00 -0.46 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 -1.89 116.94 112.74 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 0.95 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.41 3g33 h PHE 163 CO -0.39 0.52 0.00 0.44 -1.61 0.00 0.00 178.31 177.27 3g33 n ILE 164 N -4.71 0.57 0.14 -0.55 -5.35 -0.66 -2.76 119.36 106.05 3g33 n ILE 164 Ca -0.04 -0.20 -0.25 0.00 -0.27 0.00 0.00 62.75 61.99 3g33 n ILE 164 Cb 0.21 -0.64 -0.16 0.00 -1.74 0.00 0.00 39.64 37.31 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 0.84 -1.63 7.28 3.38 -0.90 -3.29 115.31 120.99 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 0.67 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3g33 h LEU 165 CO 0.00 1.72 0.18 0.45 0.09 0.00 0.00 178.44 180.88 3g33 h HIS 166 N 0.15 0.41 -0.36 1.13 3.86 -1.22 -2.83 115.15 116.29 3g33 h HIS 166 Ca -0.27 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.73 3g33 h HIS 166 Cb 2.17 -0.14 -0.11 0.00 1.06 0.00 0.00 27.41 30.40 3g33 h HIS 166 CO 0.13 0.29 0.28 0.54 0.86 0.00 0.00 177.93 180.02 3g33 n ARG 167 N -4.46 1.53 -3.87 2.45 1.74 -1.11 -4.87 116.66 108.07 3g33 n ARG 167 Ca 0.02 -1.13 -0.23 0.00 -0.77 0.00 0.00 57.85 55.74 3g33 n ARG 167 Cb 0.09 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.46 30.04 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 0.28 0.00 -1.96 0.55 4.77 -1.07 -5.00 117.00 114.57 3g33 n LEU 168 Ca 0.22 -2.23 -0.14 0.00 -0.03 0.00 0.00 56.01 53.83 3g33 n LEU 168 Cb 0.74 0.25 0.23 0.00 -2.33 0.00 0.00 43.42 42.30 3g33 n LEU 168 CO 0.25 -0.32 1.11 -1.54 -1.33 0.00 0.00 177.39 175.56 3g33 n SER 169 N -1.22 3.93 -4.53 -1.43 3.41 -1.26 -4.94 113.62 107.57 3g33 n SER 169 Ca -0.15 -3.49 -0.31 0.00 -0.26 0.00 0.00 58.87 54.67 3g33 n SER 169 Cb 0.45 -0.77 -0.11 0.00 -0.26 0.00 0.00 64.21 63.52 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 -5.13 118.68 114.73 3g33 s LEU 170 Ca 0.54 -0.37 -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 0.67 -2.16 0.23 0.00 0.00 176.35 175.42 3g33 s PRO 171 N -1.74 3.93 0.25 1.29 0.04 -1.26 -4.95 135.00 132.56 3g33 s PRO 171 Ca 0.17 0.52 0.16 0.00 0.04 0.00 0.00 61.00 61.89 3g33 s PRO 171 Cb -0.11 -2.51 0.85 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 0.00 177.00 179.33 3g33 n ARG 172 N -0.29 0.10 0.29 4.56 1.74 -1.26 -1.79 116.66 120.01 3g33 n ARG 172 Ca 0.02 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 0.86 0.00 -1.02 0.00 0.00 32.46 30.93 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 0.06 0.00 0.54 -3.12 0.00 0.00 179.24 176.72 3g33 n ARG 174 N -3.38 -0.51 0.31 3.56 1.74 -0.74 -4.78 116.66 112.87 3g33 n ARG 174 Ca -0.02 -0.43 0.20 0.00 -0.77 0.00 0.00 57.85 56.84 3g33 n ARG 174 Cb 0.20 -0.86 1.02 0.00 -1.02 0.00 0.00 32.46 31.80 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 -3.23 115.11 120.57 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 0.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3g33 h GLN 175 CO 0.00 0.01 -0.33 0.00 -0.67 0.00 0.00 178.83 177.84 3g33 h ALA 176 N 1.99 -0.71 -0.32 3.87 0.00 -1.86 -1.20 119.26 121.03 3g33 h ALA 176 Ca -0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3g33 h ALA 176 Cb 0.18 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3g33 h ALA 176 CO 0.00 -0.93 -0.08 -0.07 0.00 0.00 0.00 179.25 178.17 3g33 h LEU 177 N -0.69 0.63 -0.28 0.00 3.38 -1.96 -2.65 115.31 113.74 3g33 h LEU 177 Ca -0.02 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.62 3g33 h LEU 177 Cb 0.62 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3g33 h LEU 177 CO -0.05 0.85 0.07 0.58 0.09 0.00 0.00 178.44 179.98 3g33 h VAL 178 N 0.40 0.89 -0.83 1.22 2.07 -1.65 -1.41 116.25 116.93 3g33 h VAL 178 Ca 0.08 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3g33 h VAL 178 Cb 0.58 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3g33 h VAL 178 CO 0.03 0.03 0.48 0.50 0.02 0.00 0.00 177.57 178.63 3g33 h LYS 179 N 0.18 1.15 -0.03 1.57 3.64 -1.19 -0.97 116.57 120.91 3g33 h LYS 179 Ca 0.13 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 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 0.83 0.00 -0.22 -2.27 0.00 0.00 179.45 177.63 3g33 h LYS 180 N 1.15 0.06 -0.80 1.90 3.64 -1.16 -2.85 116.57 118.52 3g33 h LYS 180 Ca 0.30 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 3g33 h LYS 180 Cb -0.00 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3g33 h LYS 180 CO -0.05 0.35 0.53 1.25 -2.27 0.00 0.00 179.45 179.26 3g33 h HIS 181 N -0.24 0.99 0.00 1.91 2.76 -1.10 -1.41 115.15 118.07 3g33 h HIS 181 Ca 0.01 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 3g33 h HIS 181 Cb 0.32 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 28.95 3g33 h HIS 181 CO 0.03 0.61 -0.13 0.00 -1.30 0.00 0.00 177.93 177.14 3g33 h ALA 182 N 1.51 1.57 0.00 5.26 0.00 -1.07 -2.84 119.26 123.69 3g33 h ALA 182 Ca 0.30 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3g33 h ALA 182 Cb -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3g33 h ALA 182 CO -0.07 0.17 -0.20 1.96 0.00 0.00 0.00 179.25 181.11 3g33 h GLN 183 N 0.00 0.00 -0.01 0.00 4.20 -1.01 -2.25 115.11 116.03 3g33 h GLN 183 Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 3g33 h GLN 183 Cb 0.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3g33 h GLN 183 CO 0.02 0.20 -0.85 1.79 -0.67 0.00 0.00 178.83 179.32 3g33 h THR 184 N 0.00 1.45 -0.61 -0.54 1.35 -1.52 -0.38 112.91 112.67 3g33 h THR 184 Ca -0.00 -2.47 -0.09 0.00 -0.55 0.00 0.00 66.41 63.29 3g33 h THR 184 Cb 0.93 2.37 -0.02 0.00 -1.73 0.00 0.00 68.15 69.70 3g33 h THR 184 CO 0.03 0.73 0.02 -0.26 -0.25 0.00 0.00 175.52 175.78 3g33 h PHE 185 N 0.15 1.16 -0.62 4.73 0.04 -1.58 0.11 116.94 120.94 3g33 h PHE 185 Ca -0.05 -0.19 -0.03 0.00 2.80 0.00 0.00 57.97 60.50 3g33 h PHE 185 Cb 1.46 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 39.28 3g33 h PHE 185 CO 0.04 1.01 0.27 -0.07 -0.60 0.00 0.00 178.31 178.96 3g33 h LEU 186 N 0.97 0.83 -0.73 1.54 3.38 -1.23 -0.66 115.31 119.40 3g33 h LEU 186 Ca 0.18 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3g33 h LEU 186 Cb 0.54 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3g33 h LEU 186 CO 0.03 0.76 -0.15 0.00 0.09 0.00 0.00 178.44 179.16 3g33 h ALA 187 N 1.11 0.92 0.08 1.53 0.00 -0.93 -2.79 119.26 119.18 3g33 h ALA 187 Ca 0.21 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3g33 h ALA 187 Cb 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3g33 h ALA 187 CO -0.02 0.62 -0.19 1.25 0.00 0.00 0.00 179.25 180.91 3g33 h LEU 188 N 0.73 -0.55 -0.66 0.00 6.46 -0.22 -2.50 115.31 118.57 3g33 h LEU 188 Ca 0.11 0.07 0.11 0.00 -0.12 0.00 0.00 57.88 58.05 3g33 h LEU 188 Cb 0.65 0.21 -0.08 0.00 -0.73 0.00 0.00 40.66 40.72 3g33 h LEU 188 CO 0.05 -0.27 0.25 0.00 -0.62 0.00 0.00 178.44 177.84 3g33 h ALA 190 N 1.47 1.50 0.02 0.00 0.00 -1.18 -2.28 119.26 118.79 3g33 h ALA 190 Ca 0.34 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.93 3g33 h ALA 190 Cb 0.46 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3g33 h ALA 190 CO -0.35 0.08 -1.45 1.79 0.00 0.00 0.00 179.25 179.33 3g33 h THR 191 N 0.00 1.18 -3.56 0.00 1.35 -0.82 -3.45 112.91 107.61 3g33 h THR 191 Ca -0.00 -2.96 -0.61 0.00 -0.55 0.00 0.00 66.41 62.29 3g33 h THR 191 Cb 0.15 2.62 -0.12 0.00 -1.73 0.00 0.00 68.15 69.07 3g33 h THR 191 CO 0.01 0.71 0.01 -0.62 -0.25 0.00 0.00 175.52 175.38 3g33 s ASP 192 N -6.45 6.47 0.61 5.36 -1.08 -0.80 -4.58 116.67 116.20 3g33 s ASP 192 Ca -0.04 0.57 0.36 0.00 -0.52 0.00 0.00 52.55 52.92 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 2.24 0.22 0.52 0.00 0.00 175.17 178.69 3g33 h TYR 193 N 7.95 0.00 0.00 -5.34 3.20 -1.87 -2.50 116.97 118.40 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 -0.02 1.79 -1.64 0.00 0.00 178.16 179.07 3g33 h THR 194 N 0.00 0.13 -0.02 1.81 1.35 -1.92 -1.27 112.91 112.99 3g33 h THR 194 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3g33 h THR 194 Cb 0.12 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3g33 h THR 194 CO 0.00 0.02 -0.23 0.49 -0.25 0.00 0.00 175.52 175.55 3g33 n PHE 195 N -3.24 0.00 -0.18 4.73 3.01 -0.94 -4.60 117.46 116.25 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 3.74 0.54 -0.00 4.37 0.00 -1.33 -1.44 119.26 125.14 3g33 h ALA 196 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3g33 h ALA 196 Cb 0.76 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3g33 h ALA 196 CO 0.00 -0.38 -0.13 -1.33 0.00 0.00 0.00 179.25 177.41 3g33 n MET 197 N -5.23 0.29 -2.03 0.00 2.81 -1.26 -4.64 117.12 107.05 3g33 n MET 197 Ca 0.07 -0.08 -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 -2.76 2.85 0.29 2.03 1.51 -0.55 -4.92 117.35 115.80 3g33 s TYR 198 Ca 0.20 1.38 -0.30 0.00 -1.01 0.00 0.00 57.07 57.34 3g33 s TYR 198 Cb 0.19 -3.73 -0.11 0.00 -0.11 0.00 0.00 41.96 38.20 3g33 s TYR 198 CO 0.53 -2.17 1.54 -2.14 -1.11 0.00 0.00 175.55 172.21 3g33 s PRO 199 N -2.09 4.16 0.27 -1.71 0.02 -1.26 -4.89 135.00 129.50 3g33 s PRO 199 Ca 0.54 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.07 3g33 s PRO 199 Cb -0.40 -3.04 0.60 0.00 0.02 0.00 0.00 34.50 31.68 3g33 s PRO 199 CO 0.52 -0.57 1.73 -1.35 -0.33 0.00 0.00 177.00 177.00 3g33 h PRO 200 N 4.67 0.48 -0.91 5.54 0.11 -1.91 -1.14 132.00 138.84 3g33 h PRO 200 Ca -0.47 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.65 3g33 h PRO 200 Cb 1.22 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 3g33 h PRO 200 CO 0.77 0.32 0.59 0.66 -0.21 0.00 0.00 178.00 180.13 3g33 h SER 201 N 0.50 0.97 -0.37 -2.05 4.64 -1.90 0.17 113.55 115.50 3g33 h SER 201 Ca 0.49 -0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.65 3g33 h SER 201 Cb 0.81 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3g33 h SER 201 CO -0.44 0.66 -0.39 -0.03 -0.87 0.00 0.00 176.83 175.76 3g33 h MET 202 N 1.13 0.92 -0.75 4.77 -1.53 -1.60 0.78 114.93 118.65 3g33 h MET 202 Ca 0.37 -0.49 -0.02 0.00 -3.44 0.00 0.00 59.70 56.12 3g33 h MET 202 Cb 0.03 0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 31.06 3g33 h MET 202 CO -0.13 1.14 0.41 0.82 0.14 0.00 0.00 176.91 179.29 3g33 h ILE 203 N 0.73 1.23 0.51 1.77 2.04 -0.98 0.73 117.51 123.53 3g33 h ILE 203 Ca 0.06 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 3g33 h ILE 203 Cb 0.98 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3g33 h ILE 203 CO 0.10 0.25 -0.24 0.00 0.00 0.00 0.00 178.15 178.25 3g33 h ALA 204 N 1.21 -0.68 0.00 1.87 0.00 -0.80 -0.74 119.26 120.12 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 0.04 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3g33 h ALA 204 CO -0.04 -0.70 -0.04 0.00 0.00 0.00 0.00 179.25 178.47 3g33 h THR 205 N -1.05 0.32 0.11 0.00 1.03 -0.84 -0.10 112.91 112.37 3g33 h THR 205 Ca -0.07 -0.22 -0.23 0.00 -0.01 0.00 0.00 66.41 65.88 3g33 h THR 205 Cb 0.60 1.16 0.00 0.00 -1.07 0.00 0.00 68.15 68.84 3g33 h THR 205 CO 0.11 0.04 -1.15 1.23 -0.01 0.00 0.00 175.52 175.74 3g33 h GLY 206 N 0.48 0.26 2.00 2.99 0.00 -0.81 -3.05 103.07 104.94 3g33 h GLY 206 Ca -0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 46.59 3g33 h GLY 206 CO 0.00 0.58 -0.37 1.48 0.00 0.00 0.00 176.54 178.24 3g33 h SER 207 N -0.42 0.00 1.93 0.19 4.64 -0.92 -2.04 113.55 116.93 3g33 h SER 207 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3g33 h SER 207 Cb 1.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 3g33 h SER 207 CO 0.06 0.37 0.00 -0.29 -0.87 0.00 0.00 176.83 176.10 3g33 h ILE 208 N 0.00 0.00 0.22 0.95 2.10 -1.15 -2.32 117.51 117.31 3g33 h ILE 208 Ca -0.00 -0.95 -0.33 0.00 1.08 0.00 0.00 64.86 64.65 3g33 h ILE 208 Cb 1.08 1.95 0.03 0.00 -1.09 0.00 0.00 36.82 38.79 3g33 h ILE 208 CO 0.05 0.00 -1.53 1.23 -1.08 0.00 0.00 178.15 176.82 3g33 h GLY 209 N 3.92 0.53 1.70 8.18 0.00 -1.38 -2.65 103.07 113.36 3g33 h GLY 209 Ca 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 47.33 45.95 3g33 h GLY 209 CO 0.00 1.19 0.09 0.00 0.00 0.00 0.00 176.54 177.82 3g33 h ALA 210 N 0.21 1.63 0.09 3.60 0.00 -1.31 -1.70 119.26 121.78 3g33 h ALA 210 Ca -0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 3g33 h ALA 210 Cb 2.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3g33 h ALA 210 CO 0.24 0.29 -0.05 0.00 0.00 0.00 0.00 179.25 179.73 3g33 h ALA 211 N 1.71 -0.13 -0.58 0.00 0.00 -1.47 -2.92 119.26 115.87 3g33 h ALA 211 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3g33 h ALA 211 Cb 0.12 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3g33 h ALA 211 CO -0.01 -0.20 0.36 0.28 0.00 0.00 0.00 179.25 179.69 3g33 h VAL 212 N -0.87 1.16 0.00 0.00 2.07 -1.42 -1.28 116.25 115.90 3g33 h VAL 212 Ca -0.01 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 3g33 h VAL 212 Cb 0.57 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3g33 h VAL 212 CO 0.02 0.16 -0.43 -0.61 0.02 0.00 0.00 177.57 176.73 3g33 h GLN 213 N 0.79 0.00 -0.05 1.57 4.15 -1.41 -1.44 115.11 118.71 3g33 h GLN 213 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.63 3g33 h GLN 213 Cb -0.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.63 3g33 h GLN 213 CO -0.04 0.43 0.00 0.41 -1.93 0.00 0.00 178.83 177.70 3g33 n GLY 214 N 0.22 -0.20 0.00 2.39 0.00 -0.54 -3.62 105.19 103.43 3g33 n GLY 214 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.09 1.02 -1.03 0.99 4.77 -0.85 -5.07 117.00 116.75 3g33 n LEU 215 Ca 0.19 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 3g33 n LEU 215 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3g33 n LEU 215 CO 0.15 0.26 -0.31 0.61 -1.33 0.00 0.00 177.39 176.77 3g33 n GLY 216 N -0.16 -3.70 0.55 -0.72 0.00 -0.59 -5.05 105.19 95.53 3g33 n GLY 216 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3g33 n GLY 216 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3g33 n MET 220 N -2.03 0.00 -2.57 1.61 2.00 -1.26 -4.71 117.12 110.16 3g33 n MET 220 Ca 0.00 0.29 -0.23 0.00 0.00 0.00 0.00 57.70 57.76 3g33 n MET 220 Cb 0.27 -0.25 0.10 0.00 0.00 0.00 0.00 33.22 33.34 3g33 n MET 220 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3g33 s SER 221 N 0.00 4.43 0.06 7.83 1.04 -1.26 -4.97 113.70 120.82 3g33 s SER 221 Ca 0.00 -0.29 -0.17 0.00 0.48 0.00 0.00 55.95 55.96 3g33 s SER 221 Cb 0.00 -0.14 -0.15 0.00 0.10 0.00 0.00 66.02 65.83 3g33 s SER 221 CO 0.00 -1.80 1.29 1.23 0.98 0.00 0.00 173.24 174.94 3g33 h GLY 222 N -0.49 0.59 0.93 7.32 0.00 -2.02 -2.34 103.07 107.07 3g33 h GLY 222 Ca -0.37 -0.74 -0.03 0.00 0.00 0.00 0.00 47.33 46.19 3g33 h GLY 222 CO 0.42 0.66 0.12 -0.55 0.00 0.00 0.00 176.54 177.19 3g33 h ASP 223 N 0.17 0.57 0.40 0.19 5.19 -1.99 0.76 116.42 121.71 3g33 h ASP 223 Ca -0.01 -0.21 -0.06 0.00 -0.62 0.00 0.00 57.03 56.14 3g33 h ASP 223 Cb 1.01 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 3g33 h ASP 223 CO 0.09 0.62 -0.28 -0.33 -3.12 0.00 0.00 179.24 176.22 3g33 h GLU 224 N 0.48 0.00 0.02 3.56 5.08 -1.97 -2.10 114.58 119.66 3g33 h GLU 224 Ca 0.13 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3g33 h GLU 224 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3g33 h GLU 224 CO -0.00 0.28 -0.20 1.25 -1.00 0.00 0.00 179.01 179.34 3g33 h LEU 225 N 0.00 0.14 -1.58 1.33 6.46 -0.98 -2.82 115.31 117.86 3g33 h LEU 225 Ca -0.00 -0.88 -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 40.43 3g33 h LEU 225 CO 0.04 1.00 -0.08 0.71 -0.62 0.00 0.00 178.44 179.49 3g33 h THR 226 N -0.70 1.13 0.00 1.05 1.35 -0.79 -1.39 112.91 113.55 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 1.05 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.58 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 0.16 0.00 -0.18 4.72 5.08 -1.46 -1.40 114.58 121.51 3g33 h GLU 227 Ca 0.04 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3g33 h GLU 227 Cb 0.25 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 0.36 -0.30 1.33 3.38 -1.11 -1.99 115.31 116.98 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 1.46 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 3g33 h LEU 228 CO 0.11 0.65 0.06 -0.07 0.09 0.00 0.00 178.44 179.28 3g33 h LEU 229 N 0.06 0.47 -0.84 1.67 3.38 -1.28 -3.02 115.31 115.75 3g33 h LEU 229 Ca 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3g33 h LEU 229 Cb 0.50 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3g33 h LEU 229 CO 0.02 0.59 0.41 0.00 0.09 0.00 0.00 178.44 179.54 3g33 h ALA 230 N 0.90 1.08 0.00 1.53 0.00 -1.30 -2.14 119.26 119.33 3g33 h ALA 230 Ca 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3g33 h ALA 230 Cb 0.31 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3g33 h ALA 230 CO 0.00 0.65 -0.01 0.78 0.00 0.00 0.00 179.25 180.67 3g33 h GLY 231 N 1.20 0.00 0.06 0.00 0.00 -1.24 0.51 103.07 103.60 3g33 h GLY 231 Ca 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 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 0.06 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 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 -4.81 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 -0.02 0.00 -2.27 0.00 0.00 64.05 61.68 3g33 n THR 233 Cb 0.08 -0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 68.09 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 1.11 0.46 3.87 3.38 0.00 0.14 -5.01 105.19 109.13 3g33 n GLY 234 Ca 0.20 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 2.74 0.24 2.61 -4.23 -1.00 -5.00 115.64 109.21 3g33 s THR 235 Ca 0.00 0.24 -0.14 0.00 -1.18 0.00 0.00 61.69 60.61 3g33 s THR 235 Cb 0.00 -3.17 -0.08 0.00 1.34 0.00 0.00 72.50 70.59 3g33 s THR 235 CO 0.00 -0.31 0.64 -1.61 -0.54 0.00 0.00 174.62 172.80 3g33 s GLU 236 N -5.39 3.99 0.32 3.99 2.02 -1.26 -4.56 118.70 117.80 3g33 s GLU 236 Ca 0.61 0.56 0.02 0.00 0.02 0.00 0.00 54.97 56.18 3g33 s GLU 236 Cb -0.12 -2.69 0.55 0.00 0.10 0.00 0.00 34.13 31.97 3g33 s GLU 236 CO 0.51 0.32 1.90 0.28 0.02 0.00 0.00 175.26 178.29 3g33 h VAL 237 N 2.31 1.19 0.79 2.63 2.07 -1.94 -1.92 116.25 121.39 3g33 h VAL 237 Ca -0.48 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 3g33 h VAL 237 Cb 1.18 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3g33 h VAL 237 CO 0.66 0.24 -0.38 0.44 0.02 0.00 0.00 177.57 178.56 3g33 h ASP 238 N 0.72 -0.90 -0.05 0.57 3.45 -1.98 -2.48 116.42 115.75 3g33 h ASP 238 Ca 0.17 0.03 0.04 0.00 0.43 0.00 0.00 57.03 57.70 3g33 h ASP 238 Cb 0.18 0.23 -0.06 0.00 -0.56 0.00 0.00 39.33 39.13 3g33 h ASP 238 CO -0.01 -0.64 -0.37 0.00 -1.57 0.00 0.00 179.24 176.64 3g33 h LEU 240 N -0.50 -0.04 0.50 0.00 5.85 -1.33 0.19 115.31 119.97 3g33 h LEU 240 Ca 0.07 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3g33 h LEU 240 Cb 0.60 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3g33 h LEU 240 CO -0.32 -0.07 -0.24 0.03 -0.34 0.00 0.00 178.44 177.50 3g33 h ARG 241 N 0.24 -0.64 -1.00 1.25 3.08 -1.04 0.52 114.38 116.78 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 0.75 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.86 3g33 h ARG 241 CO -0.55 -0.37 0.63 0.00 -1.07 0.00 0.00 179.97 178.62 3g33 h ALA 242 N -0.39 1.50 0.20 0.04 0.00 -0.90 0.18 119.26 119.88 3g33 h ALA 242 Ca -0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3g33 h ALA 242 Cb 0.58 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3g33 h ALA 242 CO 0.11 0.25 -0.10 0.00 0.00 0.00 0.00 179.25 179.52 3g33 h GLN 244 N -0.62 0.79 -0.31 0.00 4.15 0.55 -1.55 115.11 118.11 3g33 h GLN 244 Ca -0.03 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.24 3g33 h GLN 244 Cb 0.45 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 3g33 h GLN 244 CO 0.04 0.52 -0.25 0.93 -1.93 0.00 0.00 178.83 178.14 3g33 h GLU 245 N 0.81 0.62 -0.28 1.69 5.08 -0.63 -2.50 114.58 119.36 3g33 h GLU 245 Ca 0.37 -0.25 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 3g33 h GLU 245 Cb 0.29 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3g33 h GLU 245 CO -0.22 0.82 -0.32 0.37 -1.00 0.00 0.00 179.01 178.66 3g33 h GLN 246 N 0.54 0.60 -0.19 2.33 4.15 -0.33 -0.92 115.11 121.29 3g33 h GLN 246 Ca 0.08 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.20 3g33 h GLN 246 Cb 0.72 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 3g33 h GLN 246 CO 0.06 0.84 0.01 0.82 -1.93 0.00 0.00 178.83 178.63 3g33 h ILE 247 N 0.51 1.24 -0.29 2.39 2.04 -1.19 0.10 117.51 122.32 3g33 h ILE 247 Ca 0.06 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 3g33 h ILE 247 Cb 0.80 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 3g33 h ILE 247 CO 0.07 0.25 0.11 -0.33 0.00 0.00 0.00 178.15 178.24 3g33 h GLU 248 N 0.10 0.41 -0.11 2.37 5.08 -1.32 -0.88 114.58 120.22 3g33 h GLU 248 Ca 0.06 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 3g33 h GLU 248 Cb 0.36 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.54 3g33 h GLU 248 CO 0.01 0.35 -0.79 0.00 -1.00 0.00 0.00 179.01 177.57 3g33 h ALA 249 N 1.72 0.39 -0.03 3.43 0.00 -0.90 -3.13 119.26 120.74 3g33 h ALA 249 Ca 0.10 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 3g33 h ALA 249 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3g33 h ALA 249 CO -0.01 0.72 -0.40 0.00 0.00 0.00 0.00 179.25 179.56 3g33 h ALA 250 N 0.68 1.29 -0.05 0.00 0.00 -0.14 -2.98 119.26 118.06 3g33 h ALA 250 Ca -0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3g33 h ALA 250 Cb 1.41 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3g33 h ALA 250 CO 0.15 0.52 0.01 1.25 0.00 0.00 0.00 179.25 181.18 3g33 h LEU 251 N 0.05 0.07 -1.36 0.00 5.85 -1.15 -2.13 115.31 116.65 3g33 h LEU 251 Ca 0.00 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3g33 h LEU 251 Cb 0.73 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3g33 h LEU 251 CO 0.05 0.33 0.00 0.03 -0.34 0.00 0.00 178.44 178.51 3g33 h ARG 252 N -0.18 0.00 -0.32 1.25 3.08 -1.49 -2.90 114.38 113.81 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 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 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 -2.95 2.44 0.00 0.04 1.02 -1.13 -5.13 120.64 114.92 3g33 n GLU 253 Ca 0.01 -1.96 0.12 0.00 -0.02 0.00 0.00 57.16 55.31 3g33 n GLU 253 Cb 0.29 -1.30 0.71 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