#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3czm s THR 16 N 0.00 4.34 -0.06 2.61 2.01 -1.26 -4.89 115.64 118.39 3czm s THR 16 Ca 0.00 1.47 -0.10 0.00 0.31 0.00 0.00 61.69 63.37 3czm s THR 16 Cb 0.00 -4.48 -0.30 0.00 0.01 0.00 0.00 72.50 67.73 3czm s THR 16 CO 0.00 -0.72 0.61 0.58 -0.69 0.00 0.00 174.62 174.40 3czm h VAL 17 N 5.98 0.87 -3.28 3.82 2.07 -2.13 -3.42 116.25 120.16 3czm h VAL 17 Ca -0.22 -2.48 -0.73 0.00 0.82 0.00 0.00 66.70 64.09 3czm h VAL 17 Cb 1.06 2.71 -0.29 0.00 -1.52 0.00 0.00 31.29 33.26 3czm h VAL 17 CO 1.08 0.87 -0.36 -0.55 0.02 0.00 0.00 177.57 178.62 3czm s SER 18 N -7.25 5.77 0.25 0.57 0.15 -1.26 -5.07 113.70 106.86 3czm s SER 18 Ca -0.17 -1.92 -0.08 0.00 0.70 0.00 0.00 55.95 54.48 3czm s SER 18 Cb 0.06 -2.04 -0.06 0.00 -1.71 0.00 0.00 66.02 62.27 3czm s SER 18 CO 0.84 -0.71 0.55 -0.13 1.20 0.00 0.00 173.24 174.99 3czm s ARG 19 N 1.36 3.73 0.69 5.44 0.52 -1.26 -5.08 118.95 124.35 3czm s ARG 19 Ca 0.06 0.17 -0.11 0.00 -0.52 0.00 0.00 55.73 55.32 3czm s ARG 19 Cb -0.26 -2.64 0.01 0.00 0.52 0.00 0.00 34.95 32.57 3czm s ARG 19 CO -0.00 0.27 1.06 1.03 0.02 0.00 0.00 175.30 177.68 3czm s ARG 20 N -3.12 2.89 0.73 3.54 0.52 -1.26 -5.02 118.95 117.24 3czm s ARG 20 Ca 0.46 1.01 -0.11 0.00 -0.52 0.00 0.00 55.73 56.57 3czm s ARG 20 Cb -0.11 -1.98 0.03 0.00 0.52 0.00 0.00 34.95 33.41 3czm s ARG 20 CO 0.25 -1.14 1.08 0.15 0.02 0.00 0.00 175.30 175.66 3czm s LYS 21 N -4.92 2.59 -0.06 3.54 -0.14 -1.26 -4.83 119.74 114.65 3czm s LYS 21 Ca 0.59 1.07 0.01 0.00 -1.36 0.00 0.00 55.97 56.27 3czm s LYS 21 Cb -0.15 -1.94 0.02 0.00 -1.68 0.00 0.00 37.83 34.08 3czm s LYS 21 CO 0.53 -1.38 -0.06 0.21 -0.76 0.00 0.00 175.35 173.89 3czm s LYS 22 N -4.97 1.09 -0.12 1.68 2.20 -1.26 -0.54 119.74 117.81 3czm s LYS 22 Ca 0.60 -0.17 0.02 0.00 -0.36 0.00 0.00 55.97 56.06 3czm s LYS 22 Cb -0.16 -1.07 0.01 0.00 -1.51 0.00 0.00 37.83 35.10 3czm s LYS 22 CO 0.55 -0.10 -0.18 0.42 -0.36 0.00 0.00 175.35 175.68 3czm s ILE 23 N 1.07 1.75 -0.21 5.43 1.01 -0.82 0.01 121.20 129.44 3czm s ILE 23 Ca -0.08 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 3czm s ILE 23 Cb -0.14 -1.58 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 3czm s ILE 23 CO -0.01 0.49 0.18 0.00 0.00 0.00 0.00 174.94 175.61 3czm s ALA 24 N 0.94 3.63 -0.53 9.38 0.00 -0.45 -2.42 121.76 132.31 3czm s ALA 24 Ca -0.06 -0.74 -0.16 0.00 0.00 0.00 0.00 51.96 51.00 3czm s ALA 24 Cb -0.15 -2.30 0.12 0.00 0.00 0.00 0.00 23.12 20.79 3czm s ALA 24 CO -0.02 -0.04 0.49 -1.64 0.00 0.00 0.00 175.76 174.55 3czm s MET 25 N 0.76 2.99 -0.74 0.00 1.00 0.33 -1.74 119.30 121.91 3czm s MET 25 Ca 0.10 -1.62 -0.26 0.00 0.00 0.00 0.00 55.69 53.91 3czm s MET 25 Cb -0.13 -4.27 0.04 0.00 0.00 0.00 0.00 34.83 30.48 3czm s MET 25 CO 0.02 -1.29 1.21 0.42 0.00 0.00 0.00 175.02 175.39 3czm s ILE 26 N 1.68 3.89 0.00 2.53 -1.09 -0.71 -0.90 121.20 126.61 3czm s ILE 26 Ca 0.04 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 3czm s ILE 26 Cb -0.29 -4.87 0.00 0.00 -1.58 0.00 0.00 42.46 35.73 3czm s ILE 26 CO 0.04 -1.76 0.00 0.61 -1.23 0.00 0.00 174.94 172.60 3czm n GLY 27 N 5.45 2.94 1.89 6.18 0.00 0.19 -0.91 105.19 120.93 3czm n GLY 27 Ca 0.03 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 3czm n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3czm n SER 28 N 0.00 4.90 -2.64 1.61 7.64 -1.02 -4.14 113.62 119.98 3czm n SER 28 Ca 0.00 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.11 3czm n SER 28 Cb 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 3czm n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3czm n GLY 29 N -0.81 0.96 0.16 0.23 0.00 -1.26 -4.27 105.19 100.20 3czm n GLY 29 Ca 0.44 -1.50 -0.06 0.00 0.00 0.00 0.00 46.02 44.90 3czm n GLY 29 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3czm h MET 30 N 0.00 0.28 -0.08 1.61 2.86 -1.98 -1.43 114.93 116.18 3czm h MET 30 Ca 0.00 -0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.45 3czm h MET 30 Cb 0.00 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.61 3czm h MET 30 CO 0.00 0.18 -0.63 0.82 1.06 0.00 0.00 176.91 178.35 3czm h ILE 31 N 0.29 1.35 -0.22 -1.22 2.04 -1.91 -2.84 117.51 115.00 3czm h ILE 31 Ca 0.17 -1.94 0.02 0.00 1.00 0.00 0.00 64.86 64.11 3czm h ILE 31 Cb 0.15 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 3czm h ILE 31 CO -0.18 0.59 0.07 1.23 0.00 0.00 0.00 178.15 179.86 3czm h GLY 32 N 0.18 0.27 1.38 5.37 0.00 -1.69 -1.15 103.07 107.44 3czm h GLY 32 Ca -0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 3czm h GLY 32 CO 0.13 0.03 0.03 -1.33 0.00 0.00 0.00 176.54 175.39 3czm h GLY 33 N 0.18 0.82 1.81 4.60 0.00 -1.34 -2.27 103.07 106.87 3czm h GLY 33 Ca 0.10 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 3czm h GLY 33 CO -0.10 0.48 -0.38 -0.84 0.00 0.00 0.00 176.54 175.70 3czm h THR 35 N 0.72 1.29 -0.07 4.70 2.02 -1.23 -0.98 112.91 119.36 3czm h THR 35 Ca 0.15 -1.43 -0.18 0.00 0.77 0.00 0.00 66.41 65.72 3czm h THR 35 Cb 0.39 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 3czm h THR 35 CO 0.01 0.43 -0.71 0.24 0.37 0.00 0.00 175.52 175.86 3czm h MET 36 N 0.18 0.35 -0.49 6.66 2.86 -0.91 -1.68 114.93 121.89 3czm h MET 36 Ca 0.02 -0.28 -0.09 0.00 -2.06 0.00 0.00 59.70 57.29 3czm h MET 36 Cb 0.76 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 3czm h MET 36 CO 0.06 0.92 -0.05 0.78 1.06 0.00 0.00 176.91 179.68 3czm h GLY 37 N 1.38 0.92 1.00 8.32 0.00 -0.93 -1.57 103.07 112.20 3czm h GLY 37 Ca -0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 3czm h GLY 37 CO 0.12 0.62 0.37 -1.82 0.00 0.00 0.00 176.54 175.82 3czm h TYR 38 N 0.78 0.95 -0.62 5.60 3.20 -0.90 -1.85 116.97 124.13 3czm h TYR 38 Ca 0.14 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 3czm h TYR 38 Cb 0.54 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 3czm h TYR 38 CO 0.03 0.68 0.32 -0.07 -1.64 0.00 0.00 178.16 177.48 3czm h LEU 39 N 0.94 0.80 -1.26 2.82 3.38 -0.88 -1.43 115.31 119.68 3czm h LEU 39 Ca 0.24 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3czm h LEU 39 Cb 0.05 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3czm h LEU 39 CO -0.04 0.68 0.50 0.00 0.09 0.00 0.00 178.44 179.68 3czm h VAL 41 N 1.01 0.99 -0.97 0.00 2.07 -0.65 0.23 116.25 118.93 3czm h VAL 41 Ca 0.28 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3czm h VAL 41 Cb -0.09 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 3czm h VAL 41 CO -0.07 0.11 0.63 -0.07 0.02 0.00 0.00 177.57 178.19 3czm h LEU 42 N -0.38 1.13 -0.40 2.57 3.38 -0.87 -2.53 115.31 118.21 3czm h LEU 42 Ca -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3czm h LEU 42 Cb 0.31 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3czm h LEU 42 CO 0.03 0.83 -0.47 0.54 0.09 0.00 0.00 178.44 179.46 3czm n ARG 43 N -4.37 0.58 -3.82 1.13 1.74 -0.54 -4.94 116.66 106.44 3czm n ARG 43 Ca 0.11 -0.40 -0.27 0.00 -0.77 0.00 0.00 57.85 56.52 3czm n ARG 43 Cb 0.03 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.01 3czm n ARG 43 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3czm n GLU 44 N -0.86 -5.49 -0.03 5.56 2.13 0.66 -4.90 120.64 117.72 3czm n GLU 44 Ca 0.09 0.62 -0.17 0.00 0.66 0.00 0.00 57.16 58.36 3czm n GLU 44 Cb 0.37 -5.41 -0.07 0.00 0.27 0.00 0.00 31.44 26.59 3czm n GLU 44 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3czm h LEU 45 N -2.06 0.90 -7.12 4.31 5.85 -1.45 -3.49 115.31 112.25 3czm h LEU 45 Ca -0.59 -0.63 0.24 0.00 0.84 0.00 0.00 57.88 57.75 3czm h LEU 45 Cb 1.37 -0.27 -0.15 0.00 0.37 0.00 0.00 40.66 41.98 3czm h LEU 45 CO 0.63 1.38 0.73 0.00 -0.34 0.00 0.00 178.44 180.84 3czm s ALA 46 N -3.76 -2.03 0.73 1.25 0.00 -1.26 -4.55 121.76 112.14 3czm s ALA 46 Ca -0.11 1.12 -0.14 0.00 0.00 0.00 0.00 51.96 52.84 3czm s ALA 46 Cb 0.08 0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.41 3czm s ALA 46 CO 0.89 -0.77 1.14 -0.51 0.00 0.00 0.00 175.76 176.51 3czm s ASP 47 N -2.51 4.42 -0.02 0.00 1.01 0.30 -4.67 116.67 115.20 3czm s ASP 47 Ca 0.10 2.12 0.02 0.00 0.71 0.00 0.00 52.55 55.50 3czm s ASP 47 Cb 0.01 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.38 3czm s ASP 47 CO -0.04 -2.10 -0.08 -0.69 0.21 0.00 0.00 175.17 172.47 3czm s VAL 49 N -2.35 0.69 -0.21 -1.27 1.01 0.40 -1.94 120.40 116.74 3czm s VAL 49 Ca 0.68 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.36 3czm s VAL 49 Cb -0.23 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.57 3czm s VAL 49 CO 0.47 0.22 -0.16 -0.69 0.00 0.00 0.00 175.10 174.93 3czm s VAL 50 N 0.14 2.12 -0.68 2.92 1.01 -1.01 -0.77 120.40 124.13 3czm s VAL 50 Ca -0.02 -1.20 -0.18 0.00 0.00 0.00 0.00 61.98 60.58 3czm s VAL 50 Cb -0.07 -2.03 0.12 0.00 0.00 0.00 0.00 36.38 34.40 3czm s VAL 50 CO 0.00 0.32 0.78 -0.76 0.00 0.00 0.00 175.10 175.45 3czm s LEU 51 N 1.22 5.50 0.05 3.92 1.43 0.12 -0.51 118.68 130.41 3czm s LEU 51 Ca -0.00 -1.69 -0.10 0.00 -1.03 0.00 0.00 54.13 51.31 3czm s LEU 51 Cb -0.16 -2.31 -0.06 0.00 0.03 0.00 0.00 46.19 43.70 3czm s LEU 51 CO -0.10 -1.04 0.37 0.12 0.23 0.00 0.00 176.35 175.93 3czm s PHE 52 N 2.38 3.60 -0.01 0.29 5.36 -0.08 -1.40 117.98 128.13 3czm s PHE 52 Ca 0.16 0.77 -0.29 0.00 -0.96 0.00 0.00 56.93 56.61 3czm s PHE 52 Cb -0.19 -2.14 0.10 0.00 -0.34 0.00 0.00 43.02 40.45 3czm s PHE 52 CO 0.02 0.56 0.88 0.34 -1.46 0.00 0.00 175.22 175.55 3czm s ASP 53 N -1.64 -0.38 0.24 6.13 -1.08 -0.90 0.56 116.67 119.60 3czm s ASP 53 Ca 0.30 0.05 0.13 0.00 -0.52 0.00 0.00 52.55 52.51 3czm s ASP 53 Cb -0.14 0.39 0.03 0.00 -1.46 0.00 0.00 42.92 41.74 3czm s ASP 53 CO 0.17 -0.62 1.42 -0.37 0.52 0.00 0.00 175.17 176.29 3czm h VAL 54 N 2.06 1.11 -3.81 1.11 -1.51 -1.91 -3.38 116.25 109.91 3czm h VAL 54 Ca -0.23 -2.51 -0.50 0.00 -1.23 0.00 0.00 66.70 62.24 3czm h VAL 54 Cb 1.24 2.51 0.01 0.00 -2.13 0.00 0.00 31.29 32.92 3czm h VAL 54 CO 0.31 0.62 0.45 -0.69 -1.23 0.00 0.00 177.57 177.03 3czm s VAL 55 N -2.94 3.59 0.02 7.19 1.01 -1.26 -5.03 120.40 122.98 3czm s VAL 55 Ca 0.03 1.57 0.03 0.00 0.00 0.00 0.00 61.98 63.60 3czm s VAL 55 Cb 0.08 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3czm s VAL 55 CO 0.76 0.35 -0.01 0.42 0.00 0.00 0.00 175.10 176.62 3czm s THR 56 N -1.21 4.02 0.00 3.92 -4.23 -1.26 -4.56 115.64 112.32 3czm s THR 56 Ca 0.45 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 3czm s THR 56 Cb -0.30 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.72 3czm s THR 56 CO 0.39 0.31 0.00 0.61 -0.54 0.00 0.00 174.62 175.38 3czm n GLY 57 N 1.20 2.04 0.25 3.99 0.00 -1.26 -4.82 105.19 106.59 3czm n GLY 57 Ca -0.14 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.22 3czm n GLY 57 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3czm h MET 58 N 0.00 -0.02 -0.87 1.61 -1.53 -2.00 -1.29 114.93 110.83 3czm h MET 58 Ca 0.00 0.00 0.10 0.00 -3.44 0.00 0.00 59.70 56.36 3czm h MET 58 Cb 0.00 0.01 -0.07 0.00 -0.55 0.00 0.00 31.60 30.98 3czm h MET 58 CO 0.00 -0.02 0.51 -1.35 0.14 0.00 0.00 176.91 176.20 3czm h PRO 59 N -0.02 0.83 -0.17 0.39 0.11 -1.87 -0.19 132.00 131.08 3czm h PRO 59 Ca 0.29 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.27 3czm h PRO 59 Cb 0.47 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 3czm h PRO 59 CO -0.64 0.55 -0.24 1.49 -0.21 0.00 0.00 178.00 178.95 3czm h GLU 60 N 0.86 0.30 -0.46 1.05 4.57 -1.60 0.30 114.58 119.60 3czm h GLU 60 Ca 0.42 -0.10 -0.09 0.00 -1.18 0.00 0.00 59.36 58.40 3czm h GLU 60 Cb 0.36 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 3czm h GLU 60 CO -0.24 0.54 -0.09 0.78 -1.18 0.00 0.00 179.01 178.81 3czm h GLY 61 N 0.98 0.89 0.89 1.92 0.00 -0.24 -0.38 103.07 107.12 3czm h GLY 61 Ca 0.04 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.61 3czm h GLY 61 CO 0.04 0.61 -0.21 0.50 0.00 0.00 0.00 176.54 177.49 3czm h LYS 62 N 0.75 0.58 -0.61 4.80 1.79 -0.15 -1.95 116.57 121.78 3czm h LYS 62 Ca 0.13 -0.29 0.01 0.00 -2.18 0.00 0.00 60.65 58.32 3czm h LYS 62 Cb 0.58 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.20 3czm h LYS 62 CO 0.04 0.88 0.39 0.00 -1.08 0.00 0.00 179.45 179.67 3czm h ALA 63 N 0.69 0.78 -0.24 3.86 0.00 -0.16 0.11 119.26 124.30 3czm h ALA 63 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3czm h ALA 63 Cb 0.75 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3czm h ALA 63 CO 0.05 0.17 0.09 -0.07 0.00 0.00 0.00 179.25 179.50 3czm h LEU 64 N 0.79 0.33 -0.00 0.00 3.38 -1.05 0.92 115.31 119.69 3czm h LEU 64 Ca 0.23 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3czm h LEU 64 Cb -0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3czm h LEU 64 CO -0.07 0.41 0.00 -0.78 0.09 0.00 0.00 178.44 178.09 3czm h ASP 65 N 0.23 0.00 -0.45 -0.43 3.58 -1.00 -0.81 116.42 117.55 3czm h ASP 65 Ca 0.08 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.45 3czm h ASP 65 Cb 0.18 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 3czm h ASP 65 CO -0.01 0.00 -0.01 0.44 -2.88 0.00 0.00 179.24 176.78 3czm h ASP 66 N -0.00 0.79 -0.57 2.28 3.32 -0.73 -2.71 116.42 118.79 3czm h ASP 66 Ca 0.00 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 56.70 3czm h ASP 66 Cb 0.00 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3czm h ASP 66 CO -0.00 0.91 0.22 0.77 -1.72 0.00 0.00 179.24 179.42 3czm h SER 67 N 0.64 0.79 -0.06 6.45 4.64 -0.71 -1.91 113.55 123.38 3czm h SER 67 Ca 0.12 -0.18 0.02 0.00 -0.47 0.00 0.00 61.79 61.29 3czm h SER 67 Cb 0.52 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3czm h SER 67 CO 0.03 0.75 0.05 1.56 -0.87 0.00 0.00 176.83 178.35 3czm h GLN 68 N 0.78 0.00 0.00 4.77 4.20 -1.09 -0.88 115.11 122.89 3czm h GLN 68 Ca 0.19 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 3czm h GLN 68 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3czm h GLN 68 CO -0.01 0.00 -0.21 0.00 -0.67 0.00 0.00 178.83 177.93 3czm h ALA 69 N 1.95 1.19 -0.65 3.87 0.00 -1.01 -2.91 119.26 121.70 3czm h ALA 69 Ca 0.03 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3czm h ALA 69 Cb 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3czm h ALA 69 CO -0.00 0.26 0.43 1.79 0.00 0.00 0.00 179.25 181.73 3czm h THR 70 N 0.00 1.04 -0.17 0.00 1.35 -1.10 -1.09 112.91 112.94 3czm h THR 70 Ca -0.00 -0.24 0.01 0.00 -0.55 0.00 0.00 66.41 65.63 3czm h THR 70 Cb 0.56 0.28 -0.01 0.00 -1.73 0.00 0.00 68.15 67.25 3czm h THR 70 CO 0.03 0.13 0.09 0.28 -0.25 0.00 0.00 175.52 175.80 3czm h SER 71 N 0.70 0.15 0.51 5.36 0.02 -1.66 0.30 113.55 118.94 3czm h SER 71 Ca 0.27 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.10 3czm h SER 71 Cb 0.19 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3czm h SER 71 CO -0.08 0.11 -0.57 0.40 -1.14 0.00 0.00 176.83 175.55 3czm h ILE 72 N 0.20 1.40 0.00 3.27 2.04 -1.54 -2.62 117.51 120.26 3czm h ILE 72 Ca 0.07 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 63.97 3czm h ILE 72 Cb 0.00 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3czm h ILE 72 CO -0.04 0.56 -0.15 0.00 0.00 0.00 0.00 178.15 178.52 3czm n ALA 73 N -2.44 2.65 -2.61 1.87 0.00 -0.47 -4.92 120.51 114.58 3czm n ALA 73 Ca -0.02 -0.16 -0.21 0.00 0.00 0.00 0.00 53.44 53.05 3czm n ALA 73 Cb 0.58 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.67 3czm n ALA 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3czm n ASP 73 N -1.62 -5.99 -4.80 0.00 8.00 0.97 -5.00 116.55 108.11 3czm n ASP 73 Ca 0.06 -0.11 -0.25 0.00 0.71 0.00 0.00 54.79 55.20 3czm n ASP 73 Cb 0.35 -4.93 -0.05 0.00 -0.02 0.00 0.00 41.12 36.48 3czm n ASP 73 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3czm s THR 74 N -3.09 2.20 -0.31 -3.53 -4.23 -0.60 -5.03 115.64 101.06 3czm s THR 74 Ca 0.11 -1.61 -0.02 0.00 -1.18 0.00 0.00 61.69 58.99 3czm s THR 74 Cb -0.05 -2.81 0.12 0.00 1.34 0.00 0.00 72.50 71.10 3czm s THR 74 CO 0.13 0.00 0.19 0.21 -0.54 0.00 0.00 174.62 174.61 3czm s ASN 75 N -4.01 3.00 0.11 3.99 2.47 -1.26 -4.51 114.94 114.72 3czm s ASN 75 Ca 0.39 -1.41 0.02 0.00 0.42 0.00 0.00 52.86 52.29 3czm s ASN 75 Cb 0.01 -0.17 -0.04 0.00 -1.45 0.00 0.00 41.25 39.60 3czm s ASN 75 CO 0.22 -0.40 -0.06 0.68 -3.72 0.00 0.00 177.10 173.83 3czm s VAL 76 N 1.89 0.71 -0.22 -5.21 -7.23 -1.26 -5.02 120.40 104.07 3czm s VAL 76 Ca 0.11 -1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 58.23 3czm s VAL 76 Cb -0.17 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 3czm s VAL 76 CO -0.27 -0.81 0.14 -0.55 -0.31 0.00 0.00 175.10 173.30 3czm s SER 77 N -3.07 6.17 -0.24 4.85 0.15 -1.26 -4.96 113.70 115.34 3czm s SER 77 Ca 0.14 0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.99 3czm s SER 77 Cb 0.05 -2.10 0.05 0.00 -1.71 0.00 0.00 66.02 62.32 3czm s SER 77 CO -0.03 0.13 -0.11 -0.69 1.20 0.00 0.00 173.24 173.74 3czm s VAL 78 N 0.64 1.95 0.29 4.45 1.01 -1.26 0.15 120.40 127.63 3czm s VAL 78 Ca 0.08 -1.38 0.06 0.00 0.00 0.00 0.00 61.98 60.73 3czm s VAL 78 Cb -0.12 -2.05 -0.06 0.00 0.00 0.00 0.00 36.38 34.15 3czm s VAL 78 CO 0.01 0.05 -0.02 0.42 0.00 0.00 0.00 175.10 175.55 3czm s THR 79 N 1.22 1.49 0.32 3.92 -4.23 0.05 -4.70 115.64 113.71 3czm s THR 79 Ca -0.06 -2.08 0.09 0.00 -1.18 0.00 0.00 61.69 58.46 3czm s THR 79 Cb -0.18 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 3czm s THR 79 CO -0.07 -0.23 0.09 -0.94 -0.54 0.00 0.00 174.62 172.93 3czm s SER 80 N -3.45 4.58 0.11 3.99 1.04 -1.26 0.14 113.70 118.86 3czm s SER 80 Ca 0.31 -0.77 -0.25 0.00 0.48 0.00 0.00 55.95 55.72 3czm s SER 80 Cb 0.05 -0.74 0.08 0.00 0.10 0.00 0.00 66.02 65.51 3czm s SER 80 CO 0.12 -0.21 0.71 0.00 0.98 0.00 0.00 173.24 174.85 3czm s ALA 81 N -2.41 -1.67 -0.00 5.32 0.00 -0.50 -4.81 121.76 117.70 3czm s ALA 81 Ca 0.36 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3czm s ALA 81 Cb -0.03 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.81 3czm s ALA 81 CO 0.21 -0.76 0.53 0.27 0.00 0.00 0.00 175.76 176.02 3czm n ASN 83 N -0.34 0.10 -4.07 0.00 6.94 -1.26 -2.12 115.26 114.51 3czm n ASN 83 Ca -0.13 -1.05 -0.28 0.00 -0.02 0.00 0.00 54.58 53.09 3czm n ASN 83 Cb 0.64 -0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.89 3czm n ASN 83 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3czm s GLN 84 N -0.05 2.20 0.66 -3.83 -0.21 -1.26 -4.93 119.66 112.24 3czm s GLN 84 Ca 0.00 -0.57 0.42 0.00 0.02 0.00 0.00 55.36 55.23 3czm s GLN 84 Cb 0.00 -1.81 2.30 0.00 1.00 0.00 0.00 33.01 34.49 3czm s GLN 84 CO 0.00 0.00 2.32 1.88 -2.12 0.00 0.00 175.29 177.37 3czm h TYR 85 N 7.18 0.00 0.00 0.91 0.05 -1.96 -1.61 116.97 121.54 3czm h TYR 85 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.49 3czm h TYR 85 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 3czm h TYR 85 CO 0.48 0.00 0.00 1.05 -1.05 0.00 0.00 178.16 178.64 3czm h GLU 86 N 0.00 0.00 0.00 4.88 4.11 -1.95 -1.95 114.58 119.67 3czm h GLU 86 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 3czm h GLU 86 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3czm h GLU 86 CO -0.00 0.00 -0.14 0.87 0.07 0.00 0.00 179.01 179.81 3czm h LYS 87 N 0.00 0.00 -0.21 1.06 1.79 -1.73 -3.09 116.57 114.39 3czm h LYS 87 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3czm h LYS 87 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3czm h LYS 87 CO 0.00 0.14 0.00 0.44 -1.08 0.00 0.00 179.45 178.95 3czm n ILE 88 N -3.20 0.27 -1.77 1.86 -5.35 -0.73 -4.93 119.36 105.51 3czm n ILE 88 Ca 0.02 -0.40 -0.41 0.00 -0.27 0.00 0.00 62.75 61.68 3czm n ILE 88 Cb 0.47 0.43 -0.00 0.00 -1.74 0.00 0.00 39.64 38.80 3czm n ILE 88 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3czm n ALA 89 N 0.47 2.31 -0.34 -1.28 0.00 -1.17 -2.12 120.51 118.39 3czm n ALA 89 Ca 0.16 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3czm n ALA 89 Cb 0.36 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.40 3czm n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3czm n GLY 90 N 0.50 1.59 3.73 0.00 0.00 -1.25 -5.01 105.19 104.74 3czm n GLY 90 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3czm n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3czm s SER 91 N -3.25 6.37 0.13 1.61 0.01 -0.90 -4.77 113.70 112.89 3czm s SER 91 Ca 0.00 2.90 0.04 0.00 1.31 0.00 0.00 55.95 60.19 3czm s SER 91 Cb 0.00 -2.61 -0.14 0.00 0.21 0.00 0.00 66.02 63.48 3czm s SER 91 CO 0.00 -0.97 1.29 0.44 0.41 0.00 0.00 173.24 174.41 3czm h ASP 92 N 6.44 0.16 -4.66 2.44 3.32 -0.77 -3.38 116.42 119.96 3czm h ASP 92 Ca -0.44 -0.15 -0.18 0.00 0.02 0.00 0.00 57.03 56.28 3czm h ASP 92 Cb 1.20 -0.05 -0.23 0.00 0.22 0.00 0.00 39.33 40.48 3czm h ASP 92 CO 0.93 1.06 -0.69 -0.69 -1.72 0.00 0.00 179.24 178.13 3czm s VAL 93 N -2.88 0.08 -0.08 -1.35 1.01 -1.03 -1.72 120.40 114.44 3czm s VAL 93 Ca -0.01 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 3czm s VAL 93 Cb 0.10 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.29 3czm s VAL 93 CO 0.83 -0.37 -0.04 -0.69 0.00 0.00 0.00 175.10 174.83 3czm s VAL 94 N -1.08 0.69 -0.25 2.92 1.01 -0.50 -1.34 120.40 121.85 3czm s VAL 94 Ca -0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 3czm s VAL 94 Cb -0.07 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.57 3czm s VAL 94 CO -0.01 0.30 -0.04 -0.63 0.00 0.00 0.00 175.10 174.72 3czm s ILE 95 N 1.57 3.05 -0.36 2.22 1.01 -0.71 -0.39 121.20 127.60 3czm s ILE 95 Ca 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 3czm s ILE 95 Cb -0.13 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 3czm s ILE 95 CO -0.05 0.22 0.36 -0.63 0.00 0.00 0.00 174.94 174.84 3czm s ILE 96 N 1.36 5.17 -0.25 2.92 1.01 0.18 -1.73 121.20 129.86 3czm s ILE 96 Ca 0.01 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.62 3czm s ILE 96 Cb -0.16 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.48 3czm s ILE 96 CO -0.04 -0.14 0.63 0.35 0.00 0.00 0.00 174.94 175.75 3czm n THR 97 N 5.25 0.14 -1.67 2.92 -2.24 -0.09 -0.56 114.28 118.03 3czm n THR 97 Ca -0.09 -0.57 -0.47 0.00 -2.27 0.00 0.00 64.05 60.65 3czm n THR 97 Cb 0.49 0.97 -0.04 0.00 -2.10 0.00 0.00 70.33 69.64 3czm n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3czm n ALA 98 N 0.06 1.17 0.00 6.98 0.00 -0.69 -4.70 120.51 123.33 3czm n ALA 98 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3czm n ALA 98 Cb 0.09 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.11 3czm n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3czm n GLY 99 N 3.89 2.17 3.86 0.00 0.00 -1.26 -4.73 105.19 109.11 3czm n GLY 99 Ca 0.20 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 3czm n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3czm s LEU 100 N 0.00 3.79 -0.17 0.99 1.43 -1.26 -5.00 118.68 118.46 3czm s LEU 100 Ca 0.00 1.27 0.14 0.00 -1.03 0.00 0.00 54.13 54.51 3czm s LEU 100 Cb 0.00 -4.16 -0.20 0.00 0.03 0.00 0.00 46.19 41.86 3czm s LEU 100 CO 0.00 -0.43 0.04 0.35 0.23 0.00 0.00 176.35 176.53 3czm n THR 101 N -1.29 1.14 -4.00 5.49 -2.24 -1.26 -4.79 114.28 107.33 3czm n THR 101 Ca 0.04 -0.68 -0.09 0.00 -2.27 0.00 0.00 64.05 61.05 3czm n THR 101 Cb 0.54 -0.61 -0.10 0.00 -2.10 0.00 0.00 70.33 68.06 3czm n THR 101 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3czm s LYS 102 N -2.40 0.48 -0.23 -0.78 1.02 -1.26 -4.92 119.74 111.65 3czm s LYS 102 Ca -0.10 -0.83 -0.17 0.00 0.02 0.00 0.00 55.97 54.90 3czm s LYS 102 Cb 0.05 0.17 -0.03 0.00 -0.52 0.00 0.00 37.83 37.50 3czm s LYS 102 CO 0.66 -0.10 0.47 0.08 -0.92 0.00 0.00 175.35 175.55 3czm s VAL 103 N -2.50 5.12 0.20 3.17 1.01 -1.26 -5.03 120.40 121.12 3czm s VAL 103 Ca -0.06 0.82 -0.33 0.00 0.00 0.00 0.00 61.98 62.41 3czm s VAL 103 Cb -0.02 -3.79 -0.13 0.00 0.00 0.00 0.00 36.38 32.43 3czm s VAL 103 CO -0.05 0.16 1.56 -0.81 0.00 0.00 0.00 175.10 175.96 3czm n PRO 103 N 5.03 2.26 0.00 2.72 -0.04 -1.26 -2.04 135.00 141.67 3czm n PRO 103 Ca -0.06 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 3czm n PRO 103 Cb 0.50 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 3czm n PRO 103 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3czm n GLY 103 N 3.06 2.86 3.77 0.55 0.00 -1.26 -5.07 105.19 109.10 3czm n GLY 103 Ca 0.15 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 3czm n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3czm s LYS 103 N 0.00 4.24 0.83 1.61 -0.14 -0.86 -5.03 119.74 120.38 3czm s LYS 103 Ca 0.00 1.87 -0.12 0.00 -1.36 0.00 0.00 55.97 56.37 3czm s LYS 103 Cb 0.00 -2.85 0.09 0.00 -1.68 0.00 0.00 37.83 33.39 3czm s LYS 103 CO 0.00 -0.16 1.14 -1.54 -0.76 0.00 0.00 175.35 174.02 3czm s SER 103 N -0.99 4.29 0.27 2.83 1.04 -1.26 -4.92 113.70 114.95 3czm s SER 103 Ca 0.53 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.95 3czm s SER 103 Cb -0.32 -1.61 0.37 0.00 0.10 0.00 0.00 66.02 64.56 3czm s SER 103 CO 0.41 -2.07 1.73 0.44 0.98 0.00 0.00 173.24 174.74 3czm h ASP 105 N -1.16 0.63 0.31 7.02 3.32 -1.96 -2.53 116.42 122.05 3czm h ASP 105 Ca -0.48 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.33 3czm h ASP 105 Cb 1.31 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 3czm h ASP 105 CO 0.63 0.79 -0.28 0.50 -1.72 0.00 0.00 179.24 179.15 3czm h LYS 105 N 0.58 0.00 -0.00 3.56 3.64 -1.94 -2.33 116.57 120.07 3czm h LYS 105 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3czm h LYS 105 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3czm h LYS 105 CO 0.04 0.28 -0.05 0.39 -2.27 0.00 0.00 179.45 177.85 3czm n GLU 106 N -4.14 0.92 -1.65 1.90 1.02 -0.96 -4.92 120.64 112.81 3czm n GLU 106 Ca -0.02 -0.26 -0.51 0.00 -0.02 0.00 0.00 57.16 56.35 3czm n GLU 106 Cb 0.34 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.21 3czm n GLU 106 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 3czm n TRP 107 N -0.81 1.94 -3.68 -0.32 -0.00 -0.88 -4.90 117.44 108.80 3czm n TRP 107 Ca 0.18 0.43 -0.11 0.00 -0.00 0.00 0.00 57.50 58.00 3czm n TRP 107 Cb 0.23 -2.46 -0.11 0.00 -0.00 0.00 0.00 31.31 28.97 3czm n TRP 107 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 3czm s SER 108 N 1.71 -0.12 0.52 5.87 0.15 -1.26 -5.01 113.70 115.56 3czm s SER 108 Ca 0.87 0.79 0.27 0.00 0.70 0.00 0.00 55.95 58.58 3czm s SER 108 Cb -0.87 0.91 1.39 0.00 -1.71 0.00 0.00 66.02 65.75 3czm s SER 108 CO 0.49 -0.22 1.92 0.03 1.20 0.00 0.00 173.24 176.66 3czm h ARG 109 N 7.87 0.06 -0.38 5.44 3.08 -1.94 -1.73 114.38 126.78 3czm h ARG 109 Ca -0.23 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.76 3czm h ARG 109 Cb 1.13 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 3czm h ARG 109 CO 0.19 0.04 0.00 -0.91 -1.07 0.00 0.00 179.97 178.23 3czm h ASN 110 N 0.06 0.57 0.24 7.04 -0.26 -1.96 -2.50 115.58 118.77 3czm h ASN 110 Ca 0.37 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 56.00 3czm h ASN 110 Cb 1.38 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 3czm h ASN 110 CO -0.03 0.64 0.00 0.44 -1.06 0.00 0.00 177.43 177.42 3czm h ASP 111 N 0.58 0.00 1.21 5.81 3.32 -1.73 -1.92 116.42 123.69 3czm h ASP 111 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3czm h ASP 111 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3czm h ASP 111 CO 0.01 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 3czm n LEU 112 N -2.46 0.41 -0.15 1.55 4.77 -0.94 -4.32 117.00 115.86 3czm n LEU 112 Ca -0.01 0.54 -0.12 0.00 -0.03 0.00 0.00 56.01 56.39 3czm n LEU 112 Cb 0.10 -0.41 -0.08 0.00 -2.33 0.00 0.00 43.42 40.70 3czm n LEU 112 CO 0.15 -0.11 0.53 0.25 -1.33 0.00 0.00 177.39 176.88 3czm h LEU 113 N 0.00 -1.71 -0.70 2.23 5.85 -1.50 -0.93 115.31 118.55 3czm h LEU 113 Ca 0.00 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3czm h LEU 113 Cb 0.61 0.72 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3czm h LEU 113 CO 0.00 -0.39 0.00 -0.81 -0.34 0.00 0.00 178.44 176.90 3czm n PRO 114 N -5.39 0.15 -0.02 5.25 -0.04 -1.26 -1.54 135.00 132.15 3czm n PRO 114 Ca -0.02 0.44 -0.20 0.00 -0.04 0.00 0.00 63.50 63.68 3czm n PRO 114 Cb 0.35 -1.82 -0.14 0.00 -0.04 0.00 0.00 33.50 31.85 3czm n PRO 114 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3czm n PHE 115 N -2.11 1.02 0.24 0.54 3.01 -0.74 -4.52 117.46 114.90 3czm n PHE 115 Ca 0.02 0.23 0.11 0.00 1.01 0.00 0.00 57.45 58.82 3czm n PHE 115 Cb 0.18 -1.14 0.01 0.00 -0.01 0.00 0.00 39.48 38.52 3czm n PHE 115 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3czm n ASN 116 N -3.40 0.71 -0.21 4.37 3.02 -0.43 -3.98 115.26 115.34 3czm n ASN 116 Ca -0.33 0.18 -0.06 0.00 -0.03 0.00 0.00 54.58 54.34 3czm n ASN 116 Cb 1.04 0.61 0.04 0.00 -0.61 0.00 0.00 39.78 40.85 3czm n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3czm h ALA 117 N 2.17 0.77 -0.17 5.41 0.00 -1.51 0.09 119.26 126.03 3czm h ALA 117 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3czm h ALA 117 Cb 0.92 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3czm h ALA 117 CO 0.00 0.23 -0.06 -0.22 0.00 0.00 0.00 179.25 179.20 3czm h LYS 118 N 0.83 -0.03 -0.36 0.00 3.64 -1.80 -2.09 116.57 116.76 3czm h LYS 118 Ca 0.22 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3czm h LYS 118 Cb -0.06 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3czm h LYS 118 CO -0.05 -0.02 0.17 0.82 -2.27 0.00 0.00 179.45 178.10 3czm h ILE 119 N -0.03 1.17 -0.14 2.00 2.04 -1.59 -2.86 117.51 118.10 3czm h ILE 119 Ca 0.09 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 3czm h ILE 119 Cb 0.16 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3czm h ILE 119 CO -0.19 0.18 -0.11 0.40 0.00 0.00 0.00 178.15 178.43 3czm h ILE 120 N 0.44 1.16 0.00 -0.67 1.08 -0.78 -1.63 117.51 117.12 3czm h ILE 120 Ca 0.12 -0.71 -0.14 0.00 -0.39 0.00 0.00 64.86 63.74 3czm h ILE 120 Cb 0.13 1.18 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 3czm h ILE 120 CO -0.01 0.22 -0.69 0.03 -0.69 0.00 0.00 178.15 177.01 3czm h ARG 121 N 0.21 0.00 0.05 2.37 3.08 -1.26 -0.81 114.38 118.02 3czm h ARG 121 Ca 0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3czm h ARG 121 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3czm h ARG 121 CO 0.02 0.69 -0.03 1.49 -1.07 0.00 0.00 179.97 181.07 3czm h GLU 122 N 0.00 -0.07 -0.87 0.04 4.81 -1.18 -2.70 114.58 114.61 3czm h GLU 122 Ca -0.01 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3czm h GLU 122 Cb 1.22 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 3czm h GLU 122 CO 0.09 0.38 0.56 0.28 -0.73 0.00 0.00 179.01 179.59 3czm h VAL 123 N -0.55 0.95 -0.66 0.32 2.07 -1.27 -1.14 116.25 115.97 3czm h VAL 123 Ca -0.01 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.25 3czm h VAL 123 Cb 0.49 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3czm h VAL 123 CO 0.01 0.15 0.41 0.00 0.02 0.00 0.00 177.57 178.17 3czm h ALA 124 N 1.57 0.85 -0.64 1.67 0.00 -1.01 -1.05 119.26 120.65 3czm h ALA 124 Ca 0.40 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 3czm h ALA 124 Cb 0.44 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3czm h ALA 124 CO -0.17 0.18 0.15 1.96 0.00 0.00 0.00 179.25 181.37 3czm h GLN 125 N 0.82 1.01 -0.50 0.00 1.08 -0.90 -0.96 115.11 115.67 3czm h GLN 125 Ca 0.26 -0.23 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 3czm h GLN 125 Cb -0.00 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.27 3czm h GLN 125 CO -0.10 0.90 0.11 0.78 -0.95 0.00 0.00 178.83 179.58 3czm h GLY 126 N 1.05 0.86 1.18 3.46 0.00 -0.80 -1.92 103.07 106.91 3czm h GLY 126 Ca 0.20 -0.55 -0.18 0.00 0.00 0.00 0.00 47.33 46.80 3czm h GLY 126 CO 0.00 0.51 -0.50 -2.08 0.00 0.00 0.00 176.54 174.47 3czm h VAL 127 N 0.69 1.28 -0.87 4.60 2.07 -1.07 -1.21 116.25 121.72 3czm h VAL 127 Ca 0.15 -1.68 0.03 0.00 0.82 0.00 0.00 66.70 66.02 3czm h VAL 127 Cb 0.35 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 3czm h VAL 127 CO 0.00 0.55 0.57 0.50 0.02 0.00 0.00 177.57 179.21 3czm h LYS 128 N 0.68 1.08 0.00 1.57 3.64 -1.10 -1.28 116.57 121.16 3czm h LYS 128 Ca 0.03 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3czm h LYS 128 Cb 1.10 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3czm h LYS 128 CO 0.11 0.71 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.78 3czm h LYS 129 N 1.11 -0.00 0.01 1.90 3.64 -1.25 -3.38 116.57 118.59 3czm h LYS 129 Ca 0.34 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.40 3czm h LYS 129 Cb -0.02 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 3czm h LYS 129 CO -0.11 0.83 -1.92 0.66 -2.27 0.00 0.00 179.45 176.64 3czm n TYR 130 N -4.69 0.73 -3.03 1.91 4.02 -0.47 -4.74 117.16 110.90 3czm n TYR 130 Ca -0.09 0.25 -0.16 0.00 -0.01 0.00 0.00 57.90 57.90 3czm n TYR 130 Cb 0.41 -1.13 0.00 0.00 -0.02 0.00 0.00 39.34 38.60 3czm n TYR 130 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3czm n PRO 132 N 0.54 0.16 -0.15 0.00 -0.04 -0.75 -2.07 135.00 132.69 3czm n PRO 132 Ca 0.18 0.15 0.10 0.00 -0.04 0.00 0.00 63.50 63.90 3czm n PRO 132 Cb 0.65 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.79 3czm n PRO 132 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3czm n LEU 132 N -1.21 3.20 -4.82 1.53 4.77 -1.26 -4.87 117.00 114.34 3czm n LEU 132 Ca 0.05 -1.47 -0.31 0.00 -0.03 0.00 0.00 56.01 54.25 3czm n LEU 132 Cb 0.06 -0.20 0.06 0.00 -2.33 0.00 0.00 43.42 41.00 3czm n LEU 132 CO 0.06 0.68 0.71 0.00 -1.33 0.00 0.00 177.39 177.51 3czm s ALA 133 N -1.39 2.58 -0.25 -1.18 0.00 -0.88 -4.99 121.76 115.66 3czm s ALA 133 Ca 0.33 0.01 -0.14 0.00 0.00 0.00 0.00 51.96 52.16 3czm s ALA 133 Cb 0.20 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 3czm s ALA 133 CO 0.28 -1.34 0.33 0.12 0.00 0.00 0.00 175.76 175.15 3czm s PHE 134 N -3.07 3.29 -0.17 0.00 5.36 -0.70 -4.90 117.98 117.78 3czm s PHE 134 Ca 0.59 0.42 -0.06 0.00 -0.96 0.00 0.00 56.93 56.92 3czm s PHE 134 Cb -0.14 -2.50 -0.03 0.00 -0.34 0.00 0.00 43.02 40.01 3czm s PHE 134 CO 0.55 -0.12 0.01 0.08 -1.46 0.00 0.00 175.22 174.29 3czm s VAL 135 N 1.68 4.32 -0.27 3.12 1.01 0.14 -1.41 120.40 128.99 3czm s VAL 135 Ca 0.14 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3czm s VAL 135 Cb -0.15 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.35 3czm s VAL 135 CO 0.09 0.47 -0.07 -0.63 0.00 0.00 0.00 175.10 174.95 3czm s ILE 136 N 0.45 2.55 0.09 2.22 1.01 0.48 -1.72 121.20 126.28 3czm s ILE 136 Ca -0.00 -1.41 -0.20 0.00 0.00 0.00 0.00 60.65 59.04 3czm s ILE 136 Cb -0.13 -2.43 -0.07 0.00 0.01 0.00 0.00 42.46 39.84 3czm s ILE 136 CO 0.02 0.02 0.60 -0.69 0.00 0.00 0.00 174.94 174.88 3czm s VAL 137 N 1.20 4.70 0.00 2.92 1.01 -0.07 -0.64 120.40 129.51 3czm s VAL 137 Ca -0.05 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.17 3czm s VAL 137 Cb -0.19 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3czm s VAL 137 CO -0.04 0.52 0.00 0.52 0.00 0.00 0.00 175.10 176.10 3czm n VAL 138 N 1.60 0.00 -1.52 2.92 0.31 0.27 -0.77 118.33 121.14 3czm n VAL 138 Ca -0.09 0.00 -0.50 0.00 -0.01 0.00 0.00 64.34 63.74 3czm n VAL 138 Cb 0.51 -0.61 -0.04 0.00 -0.91 0.00 0.00 33.84 32.79 3czm n VAL 138 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3czm n THR 139 N -1.86 1.17 -3.50 2.52 -1.04 -1.04 -4.67 114.28 105.87 3czm n THR 139 Ca 0.00 -0.29 -0.27 0.00 -2.04 0.00 0.00 64.05 61.44 3czm n THR 139 Cb 0.37 -0.53 -0.03 0.00 -1.82 0.00 0.00 70.33 68.32 3czm n THR 139 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3czm s ASN 140 N -0.32 6.40 -0.39 8.00 0.01 -1.26 -2.78 114.94 124.60 3czm s ASN 140 Ca 0.72 0.54 -0.29 0.00 -0.71 0.00 0.00 52.86 53.13 3czm s ASN 140 Cb -0.91 -2.07 0.00 0.00 0.41 0.00 0.00 41.25 38.68 3czm s ASN 140 CO 0.55 -0.14 1.49 -2.16 -1.51 0.00 0.00 177.10 175.33 3czm s PRO 141 N -3.54 3.55 0.00 -0.60 0.04 -1.25 -4.66 135.00 128.53 3czm s PRO 141 Ca 0.41 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.51 3czm s PRO 141 Cb -0.11 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.38 3czm s PRO 141 CO 0.30 -1.60 0.55 -0.11 0.04 0.00 0.00 177.00 176.18 3czm n LEU 142 N 9.04 0.00 -0.24 -3.56 -0.00 -1.12 0.10 117.00 121.22 3czm n LEU 142 Ca 0.18 0.55 0.16 0.00 -0.00 0.00 0.00 56.01 56.89 3czm n LEU 142 Cb 0.48 -0.21 0.46 0.00 -0.00 0.00 0.00 43.42 44.14 3czm n LEU 142 CO 0.70 -0.21 1.22 0.44 -0.00 0.00 0.00 177.39 179.53 3czm h ASP 143 N 0.00 0.51 -0.07 1.96 3.32 -1.89 0.19 116.42 120.44 3czm h ASP 143 Ca 0.00 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 3czm h ASP 143 Cb 0.00 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.50 3czm h ASP 143 CO 0.00 0.23 -0.37 0.00 -1.72 0.00 0.00 179.24 177.38 3czm h MET 145 N -0.11 0.80 -0.38 0.00 2.86 0.11 -0.85 114.93 117.36 3czm h MET 145 Ca -0.03 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.42 3czm h MET 145 Cb 1.03 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 3czm h MET 145 CO 0.08 0.71 0.07 0.28 1.06 0.00 0.00 176.91 179.11 3czm h VAL 146 N 0.77 1.23 -0.60 -2.22 2.07 -0.77 0.27 116.25 117.01 3czm h VAL 146 Ca 0.17 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3czm h VAL 146 Cb 0.26 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3czm h VAL 146 CO -0.00 0.28 0.30 0.50 0.02 0.00 0.00 177.57 178.67 3czm h LYS 147 N 0.47 0.86 -0.58 1.57 3.64 -1.37 -0.42 116.57 120.74 3czm h LYS 147 Ca 0.12 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3czm h LYS 147 Cb 0.34 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3czm h LYS 147 CO 0.00 0.68 0.37 0.00 -2.27 0.00 0.00 179.45 178.23 3czm h PHE 149 N 0.74 0.73 -0.61 0.00 3.57 -0.53 -2.06 116.94 118.77 3czm h PHE 149 Ca 0.22 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3czm h PHE 149 Cb -0.04 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 3czm h PHE 149 CO -0.04 0.66 0.40 1.25 -2.23 0.00 0.00 178.31 178.35 3czm h HIS 150 N 0.59 0.76 0.02 0.41 2.76 -0.75 0.93 115.15 119.88 3czm h HIS 150 Ca 0.14 0.02 -0.21 0.00 -2.20 0.00 0.00 60.37 58.12 3czm h HIS 150 Cb 0.28 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 3czm h HIS 150 CO 0.01 0.48 -0.99 1.05 -1.30 0.00 0.00 177.93 177.19 3czm h GLU 151 N 0.82 0.06 -0.11 5.26 4.11 -1.39 -1.71 114.58 121.62 3czm h GLU 151 Ca 0.23 -0.09 -0.16 0.00 0.07 0.00 0.00 59.36 59.41 3czm h GLU 151 Cb -0.09 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3czm h GLU 151 CO -0.05 0.99 -0.60 0.00 0.07 0.00 0.00 179.01 179.41 3czm h ALA 152 N 0.97 0.76 0.09 1.06 0.00 -1.20 -3.32 119.26 117.61 3czm h ALA 152 Ca -0.03 -0.54 -0.31 0.00 0.00 0.00 0.00 54.91 54.02 3czm h ALA 152 Cb 1.71 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 3czm h ALA 152 CO 0.14 0.72 -1.68 0.66 0.00 0.00 0.00 179.25 179.08 3czm h SER 153 N 0.27 0.28 0.00 0.00 4.64 -0.84 -3.43 113.55 114.47 3czm h SER 153 Ca -0.01 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3czm h SER 153 Cb 1.13 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3czm h SER 153 CO 0.10 1.42 0.00 0.61 -0.87 0.00 0.00 176.83 178.10 3czm n GLY 154 N 1.71 0.58 3.79 -0.77 0.00 -0.65 -4.71 105.19 105.15 3czm n GLY 154 Ca -0.20 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 3czm n GLY 154 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3czm s LEU 155 N 0.00 3.35 0.54 0.99 1.02 -1.25 -4.98 118.68 118.35 3czm s LEU 155 Ca 0.00 1.87 -0.21 0.00 0.02 0.00 0.00 54.13 55.81 3czm s LEU 155 Cb 0.00 -4.53 -0.06 0.00 0.02 0.00 0.00 46.19 41.61 3czm s LEU 155 CO 0.00 -1.49 1.04 -2.65 0.02 0.00 0.00 176.35 173.26 3czm n PRO 156 N -2.50 1.16 0.25 1.29 -0.02 -1.26 -4.89 135.00 129.03 3czm n PRO 156 Ca 0.09 0.43 0.10 0.00 -2.02 0.00 0.00 63.50 62.11 3czm n PRO 156 Cb 0.53 -2.20 0.65 0.00 -0.02 0.00 0.00 33.50 32.46 3czm n PRO 156 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3czm h LYS 157 N 0.94 0.00 -0.01 -0.52 2.10 -1.93 -2.18 116.57 114.97 3czm h LYS 157 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3czm h LYS 157 Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 3czm h LYS 157 CO 0.53 0.15 -0.02 0.27 -2.00 0.00 0.00 179.45 178.38 3czm n ASN 158 N -3.81 1.04 -0.61 7.07 6.94 -1.26 -3.75 115.26 120.89 3czm n ASN 158 Ca -0.02 -1.28 0.06 0.00 -0.02 0.00 0.00 54.58 53.31 3czm n ASN 158 Cb 0.25 0.00 0.15 0.00 -2.36 0.00 0.00 39.78 37.83 3czm n ASN 158 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3czm n MET 159 N -0.23 2.87 -4.25 -3.83 2.81 -0.82 -0.72 117.12 112.95 3czm n MET 159 Ca 0.20 -2.13 -0.19 0.00 -1.81 0.00 0.00 57.70 53.76 3czm n MET 159 Cb 0.29 -1.34 -0.16 0.00 -0.71 0.00 0.00 33.22 31.30 3czm n MET 159 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3czm s VAL 160 N -1.34 0.61 0.22 2.03 1.01 -1.24 -0.68 120.40 121.01 3czm s VAL 160 Ca 0.24 -0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.80 3czm s VAL 160 Cb 0.15 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.98 3czm s VAL 160 CO 0.13 0.22 0.61 0.00 0.00 0.00 0.00 175.10 176.05 3czm s GLY 162 N -2.87 1.37 -0.07 0.00 0.00 -0.15 -0.89 107.32 104.70 3czm s GLY 162 Ca 0.09 -1.03 -0.23 0.00 0.00 0.00 0.00 44.72 43.55 3czm s GLY 162 CO -0.01 -0.67 0.67 -0.29 0.00 0.00 0.00 173.10 172.81 3czm s MET 163 N -0.30 4.43 0.16 2.90 1.75 0.05 -0.43 119.30 127.86 3czm s MET 163 Ca 0.01 0.82 0.00 0.00 -1.25 0.00 0.00 55.69 55.27 3czm s MET 163 Cb -0.13 -3.45 0.00 0.00 2.84 0.00 0.00 34.83 34.10 3czm s MET 163 CO 0.02 0.08 0.00 0.00 -0.65 0.00 0.00 175.02 174.47 3czm n ALA 164 N 3.76 0.00 0.21 4.11 0.00 -1.26 -4.73 120.51 122.60 3czm n ALA 164 Ca -0.02 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.58 3czm n ALA 164 Cb 0.51 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.76 3czm n ALA 164 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3czm h ASN 165 N 0.00 0.00 -0.57 0.00 -0.26 -1.85 0.89 115.58 113.78 3czm h ASN 165 Ca 0.00 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.64 3czm h ASN 165 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 3czm h ASN 165 CO 0.00 0.00 -0.02 0.58 -1.06 0.00 0.00 177.43 176.93 3czm h VAL 166 N 0.00 1.26 -0.14 2.81 2.07 -1.81 0.25 116.25 120.69 3czm h VAL 166 Ca 0.07 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 3czm h VAL 166 Cb 0.36 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3czm h VAL 166 CO -0.00 0.42 -0.09 0.25 0.02 0.00 0.00 177.57 178.17 3czm h LEU 167 N 0.95 0.32 -0.65 2.57 5.85 -1.22 -1.05 115.31 122.07 3czm h LEU 167 Ca 0.16 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.46 3czm h LEU 167 Cb 0.57 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 3czm h LEU 167 CO 0.03 0.69 0.43 0.44 -0.34 0.00 0.00 178.44 179.69 3czm h ASP 168 N -0.05 0.74 -0.28 1.25 3.32 -1.02 -2.17 116.42 118.22 3czm h ASP 168 Ca 0.03 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 3czm h ASP 168 Cb 0.58 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3czm h ASP 168 CO 0.03 0.53 -0.06 0.28 -1.72 0.00 0.00 179.24 178.29 3czm h SER 169 N 0.87 0.63 -0.96 6.45 0.02 -0.45 -2.19 113.55 117.92 3czm h SER 169 Ca 0.24 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 3czm h SER 169 Cb -0.08 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.23 3czm h SER 169 CO -0.06 0.75 0.62 0.00 -1.14 0.00 0.00 176.83 177.00 3czm h ALA 170 N 1.32 1.29 -0.11 3.77 0.00 -0.55 0.27 119.26 125.25 3czm h ALA 170 Ca 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3czm h ALA 170 Cb 0.48 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3czm h ALA 170 CO 0.03 0.48 -0.05 0.00 0.00 0.00 0.00 179.25 179.70 3czm h ARG 171 N 1.19 0.23 -0.36 0.00 3.08 -1.15 0.02 114.38 117.39 3czm h ARG 171 Ca 0.39 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.41 3czm h ARG 171 Cb 0.05 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.03 3czm h ARG 171 CO -0.14 0.58 -0.08 0.35 -1.07 0.00 0.00 179.97 179.61 3czm h PHE 172 N -0.12 -0.17 -0.38 3.04 3.57 -0.89 -1.03 116.94 120.96 3czm h PHE 172 Ca 0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3czm h PHE 172 Cb 0.51 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3czm h PHE 172 CO 0.07 -0.15 0.14 0.00 -2.23 0.00 0.00 178.31 176.14 3czm h ARG 173 N 0.01 0.57 -0.73 1.11 3.08 -0.37 -2.10 114.38 115.94 3czm h ARG 173 Ca 0.17 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3czm h ARG 173 Cb 0.26 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3czm h ARG 173 CO -0.36 0.55 0.38 -0.09 -1.07 0.00 0.00 179.97 179.38 3czm h ARG 174 N 0.46 1.04 -0.27 0.04 9.65 -0.59 0.27 114.38 124.98 3czm h ARG 174 Ca 0.12 -0.13 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 3czm h ARG 174 Cb 0.20 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 3czm h ARG 174 CO -0.01 0.79 0.09 0.74 2.80 0.00 0.00 179.97 184.38 3czm h PHE 175 N 1.02 0.42 -0.20 2.20 0.05 -1.09 -0.92 116.94 118.41 3czm h PHE 175 Ca 0.26 -0.04 -0.02 0.00 3.82 0.00 0.00 57.97 61.99 3czm h PHE 175 Cb 0.07 -0.12 -0.01 0.00 2.00 0.00 0.00 35.95 37.89 3czm h PHE 175 CO 0.00 0.44 0.06 0.82 -0.18 0.00 0.00 178.31 179.46 3czm h ILE 176 N 0.27 1.19 -0.72 -0.55 1.08 -1.13 -2.67 117.51 114.99 3czm h ILE 176 Ca 0.09 -0.60 0.11 0.00 -0.39 0.00 0.00 64.86 64.06 3czm h ILE 176 Cb 0.21 1.21 -0.08 0.00 -3.07 0.00 0.00 36.82 35.09 3czm h ILE 176 CO -0.00 0.19 0.32 0.00 -0.69 0.00 0.00 178.15 177.97 3czm h ALA 177 N 0.88 0.99 -0.50 1.87 0.00 -0.31 -0.10 119.26 122.09 3czm h ALA 177 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3czm h ALA 177 Cb 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3czm h ALA 177 CO -0.00 -0.12 0.32 -0.44 0.00 0.00 0.00 179.25 179.01 3czm h ASP 178 N 0.53 0.58 -0.54 0.00 3.32 -1.01 0.12 116.42 119.41 3czm h ASP 178 Ca 0.37 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.29 3czm h ASP 178 Cb 0.46 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3czm h ASP 178 CO -0.32 0.43 -0.05 1.56 -1.72 0.00 0.00 179.24 179.14 3czm h GLN 179 N 0.67 1.01 -0.00 3.56 1.08 -0.91 -3.08 115.11 117.44 3czm h GLN 179 Ca 0.18 -0.34 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 3czm h GLN 179 Cb -0.06 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 3czm h GLN 179 CO -0.04 1.02 -0.40 1.28 -0.95 0.00 0.00 178.83 179.74 3czm n LEU 180 N -4.16 0.51 -3.43 1.46 4.77 -0.16 -4.93 117.00 111.06 3czm n LEU 180 Ca 0.02 0.03 -0.18 0.00 -0.03 0.00 0.00 56.01 55.85 3czm n LEU 180 Cb 0.37 -0.26 0.07 0.00 -2.33 0.00 0.00 43.42 41.27 3czm n LEU 180 CO 0.44 0.12 0.05 -0.62 -1.33 0.00 0.00 177.39 176.05 3czm n GLU 181 N -1.37 -4.71 -3.93 3.23 1.02 0.36 -5.02 120.64 110.22 3czm n GLU 181 Ca 0.07 0.80 -0.10 0.00 -0.02 0.00 0.00 57.16 57.91 3czm n GLU 181 Cb 0.33 -5.67 -0.12 0.00 -0.02 0.00 0.00 31.44 25.97 3czm n GLU 181 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3czm s ILE 182 N -3.42 0.06 0.37 -3.67 1.01 -0.97 -5.07 121.20 109.52 3czm s ILE 182 Ca 0.17 -0.51 -0.28 0.00 0.00 0.00 0.00 60.65 60.02 3czm s ILE 182 Cb -0.03 -0.16 -0.11 0.00 0.01 0.00 0.00 42.46 42.17 3czm s ILE 182 CO 0.75 -0.28 1.49 -0.24 0.00 0.00 0.00 174.94 176.65 3czm n SER 183 N 2.23 3.75 0.22 3.58 2.88 -1.26 -4.54 113.62 120.48 3czm n SER 183 Ca -0.19 1.22 0.15 0.00 -1.33 0.00 0.00 58.87 58.72 3czm n SER 183 Cb 0.57 -1.61 0.79 0.00 -0.75 0.00 0.00 64.21 63.21 3czm n SER 183 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3czm h PRO 184 N 3.04 0.00 -0.41 -1.46 0.13 -1.92 -0.66 132.00 130.73 3czm h PRO 184 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 3czm h PRO 184 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 3czm h PRO 184 CO 0.65 0.00 0.20 -0.09 -0.23 0.00 0.00 178.00 178.52 3czm h ARG 185 N 0.00 0.57 -0.66 0.86 9.65 -1.96 -2.42 114.38 120.42 3czm h ARG 185 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3czm h ARG 185 Cb 0.02 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.48 3czm h ARG 185 CO 0.00 0.45 0.00 -0.25 2.80 0.00 0.00 179.97 182.97 3czm n ASP 186 N -4.40 3.72 -4.43 -3.80 8.00 -0.25 -4.83 116.55 110.56 3czm n ASP 186 Ca 0.03 -2.10 -0.35 0.00 0.71 0.00 0.00 54.79 53.08 3czm n ASP 186 Cb 0.12 -0.47 -0.13 0.00 -0.02 0.00 0.00 41.12 40.62 3czm n ASP 186 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3czm s ILE 187 N -1.30 3.95 -0.44 0.53 -1.09 -0.91 -0.72 121.20 121.23 3czm s ILE 187 Ca 0.44 -0.31 -0.07 0.00 -2.23 0.00 0.00 60.65 58.48 3czm s ILE 187 Cb 0.25 -2.80 0.10 0.00 -1.58 0.00 0.00 42.46 38.42 3czm s ILE 187 CO 0.28 0.41 0.28 -1.10 -1.23 0.00 0.00 174.94 173.57 3czm s GLN 188 N 1.23 2.40 -0.08 2.79 1.11 -0.15 -4.94 119.66 122.02 3czm s GLN 188 Ca 0.04 -1.67 0.03 0.00 0.01 0.00 0.00 55.36 53.76 3czm s GLN 188 Cb -0.15 -3.78 0.01 0.00 -1.01 0.00 0.00 33.01 28.08 3czm s GLN 188 CO 0.01 -1.08 -0.17 0.00 0.01 0.00 0.00 175.29 174.07 3czm s ALA 189 N 1.32 1.64 0.01 6.09 0.00 -1.26 -1.14 121.76 128.43 3czm s ALA 189 Ca 0.05 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 51.43 3czm s ALA 189 Cb -0.24 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 3czm s ALA 189 CO -0.01 0.17 -0.21 0.99 0.00 0.00 0.00 175.76 176.70 3czm s THR 190 N 0.56 1.68 -0.05 0.00 2.01 -1.26 -4.69 115.64 113.88 3czm s THR 190 Ca -0.16 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 60.85 3czm s THR 190 Cb -0.17 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 3czm s THR 190 CO 0.05 0.34 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.40 3czm s VAL 191 N -0.64 1.91 0.38 3.82 1.01 -1.26 -0.43 120.40 125.18 3czm s VAL 191 Ca 0.08 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.11 3czm s VAL 191 Cb -0.08 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3czm s VAL 191 CO 0.01 0.54 0.16 0.27 0.00 0.00 0.00 175.10 176.07 3czm s ILE 192 N -0.19 0.46 0.00 2.22 -4.36 -0.75 -4.76 121.20 113.81 3czm s ILE 192 Ca -0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 3czm s ILE 192 Cb -0.13 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.18 3czm s ILE 192 CO 0.03 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.82 3czm n GLY 193 N -0.81 -1.79 3.77 6.27 0.00 0.77 -0.48 105.19 112.91 3czm n GLY 193 Ca -0.03 -1.88 -0.40 0.00 0.00 0.00 0.00 46.02 43.71 3czm n GLY 193 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3czm s THR 194 N 0.00 3.16 -1.08 2.61 -1.32 -1.26 -1.94 115.64 115.81 3czm s THR 194 Ca 0.00 1.11 -0.22 0.00 -1.21 0.00 0.00 61.69 61.38 3czm s THR 194 Cb 0.00 -3.69 0.05 0.00 -1.51 0.00 0.00 72.50 67.35 3czm s THR 194 CO 0.00 0.23 1.53 -2.28 -2.21 0.00 0.00 174.62 171.89 3czm s HIS 195 N -1.22 2.57 0.00 9.09 2.46 -1.26 -3.28 115.29 123.64 3czm s HIS 195 Ca 0.49 -0.97 0.00 0.00 0.47 0.00 0.00 55.06 55.05 3czm s HIS 195 Cb -0.34 -4.69 0.00 0.00 -0.13 0.00 0.00 32.58 27.42 3czm s HIS 195 CO 0.44 -1.90 0.00 0.41 -2.47 0.00 0.00 174.74 171.22 3czm n GLY 196 N 6.55 0.75 0.35 1.59 0.00 -1.26 -4.81 105.19 108.35 3czm n GLY 196 Ca 0.37 -0.82 0.17 0.00 0.00 0.00 0.00 46.02 45.74 3czm n GLY 196 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3czm h ASP 197 N 0.00 0.00 -0.63 1.61 3.32 -1.87 -0.62 116.42 118.24 3czm h ASP 197 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 3czm h ASP 197 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 3czm h ASP 197 CO 0.00 0.00 0.17 1.41 -1.72 0.00 0.00 179.24 179.10 3czm n HIS 198 N -3.20 2.13 -1.57 4.55 8.25 -1.26 -4.97 115.22 119.14 3czm n HIS 198 Ca 0.00 -1.12 -0.34 0.00 -0.26 0.00 0.00 57.72 56.01 3czm n HIS 198 Cb 0.40 -0.60 0.07 0.00 1.12 0.00 0.00 29.99 30.98 3czm n HIS 198 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3czm s MET 199 N -2.96 2.42 -0.40 -0.41 0.23 -0.24 -4.29 119.30 113.64 3czm s MET 199 Ca 0.53 1.60 -0.01 0.00 -1.03 0.00 0.00 55.69 56.78 3czm s MET 199 Cb 0.42 -1.88 0.11 0.00 -1.53 0.00 0.00 34.83 31.95 3czm s MET 199 CO 0.12 -1.58 0.18 -1.17 -2.03 0.00 0.00 175.02 170.54 3czm s LEU 200 N -5.03 5.12 -0.28 0.18 2.96 0.36 -4.98 118.68 117.02 3czm s LEU 200 Ca 0.71 -2.12 -0.29 0.00 -0.22 0.00 0.00 54.13 52.21 3czm s LEU 200 Cb -0.25 -1.78 -0.00 0.00 0.50 0.00 0.00 46.19 44.66 3czm s LEU 200 CO 0.43 -0.49 1.31 -2.84 -1.32 0.00 0.00 176.35 173.44 3czm s PRO 201 N 1.00 3.95 -1.19 0.98 0.02 -1.26 -1.81 135.00 136.69 3czm s PRO 201 Ca 0.09 1.32 -0.21 0.00 0.02 0.00 0.00 61.00 62.22 3czm s PRO 201 Cb -0.22 -3.87 -0.01 0.00 0.02 0.00 0.00 34.50 30.42 3czm s PRO 201 CO -0.05 -1.08 1.82 -0.51 -0.33 0.00 0.00 177.00 176.85 3czm s LEU 202 N 4.31 3.39 0.29 -5.54 1.43 0.42 -4.81 118.68 118.17 3czm s LEU 202 Ca 0.57 -1.84 0.03 0.00 -1.03 0.00 0.00 54.13 51.85 3czm s LEU 202 Cb -0.18 -2.58 0.62 0.00 0.03 0.00 0.00 46.19 44.09 3czm s LEU 202 CO 0.22 -2.21 1.80 0.00 0.23 0.00 0.00 176.35 176.39 3czm h ALA 203 N 9.09 1.53 0.00 4.21 0.00 -1.91 -1.56 119.26 130.62 3czm h ALA 203 Ca 0.29 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 3czm h ALA 203 Cb 0.93 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3czm h ALA 203 CO 1.33 0.05 -0.22 -0.09 0.00 0.00 0.00 179.25 180.32 3czm h ARG 204 N 0.83 0.00 -0.63 0.00 2.43 -1.98 -2.98 114.38 112.05 3czm h ARG 204 Ca 0.52 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 3czm h ARG 204 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3czm h ARG 204 CO -0.33 0.22 0.00 0.66 -1.51 0.00 0.00 179.97 179.01 3czm n TYR 205 N -3.80 1.25 -2.63 2.20 4.01 -0.59 -4.87 117.16 112.72 3czm n TYR 205 Ca -0.02 -0.50 -0.43 0.00 -0.16 0.00 0.00 57.90 56.80 3czm n TYR 205 Cb 0.32 -0.22 -0.02 0.00 -0.31 0.00 0.00 39.34 39.11 3czm n TYR 205 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3czm s VAL 206 N -1.80 4.66 0.16 -0.72 1.01 -1.13 -4.72 120.40 117.86 3czm s VAL 206 Ca 0.43 1.95 0.05 0.00 0.00 0.00 0.00 61.98 64.41 3czm s VAL 206 Cb 0.27 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 3czm s VAL 206 CO 0.20 -0.04 -0.11 0.42 0.00 0.00 0.00 175.10 175.57 3czm s THR 207 N 2.33 1.33 -0.42 3.92 -4.23 -0.29 -0.94 115.64 117.33 3czm s THR 207 Ca 0.49 -2.11 -0.02 0.00 -1.18 0.00 0.00 61.69 58.88 3czm s THR 207 Cb -0.19 -1.91 0.11 0.00 1.34 0.00 0.00 72.50 71.86 3czm s THR 207 CO 0.16 -0.70 0.20 -0.69 -0.54 0.00 0.00 174.62 173.06 3czm s VAL 208 N -3.23 3.15 -1.50 2.29 1.01 0.54 -0.98 120.40 121.69 3czm s VAL 208 Ca 0.18 -2.22 -0.10 0.00 0.00 0.00 0.00 61.98 59.84 3czm s VAL 208 Cb 0.02 -3.17 0.07 0.00 0.00 0.00 0.00 36.38 33.29 3czm s VAL 208 CO 0.02 -0.70 0.82 -3.20 0.00 0.00 0.00 175.10 172.04 3czm n ASN 209 N 4.39 -3.18 0.00 3.32 4.05 0.10 -0.98 115.26 122.97 3czm n ASN 209 Ca -0.00 -0.86 0.00 0.00 0.45 0.00 0.00 54.58 54.17 3czm n ASN 209 Cb 0.41 -3.63 0.00 0.00 1.23 0.00 0.00 39.78 37.79 3czm n ASN 209 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3czm n GLY 209 N -1.66 2.26 3.63 8.20 0.00 -1.26 -5.03 105.19 111.33 3czm n GLY 209 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3czm n GLY 209 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3czm s PHE 209 N -2.29 3.28 0.23 1.61 2.99 -0.15 -4.95 117.98 118.71 3czm s PHE 209 Ca 0.00 1.02 -0.30 0.00 0.00 0.00 0.00 56.93 57.64 3czm s PHE 209 Cb 0.00 -3.07 -0.15 0.00 0.00 0.00 0.00 43.02 39.80 3czm s PHE 209 CO 0.00 -0.43 1.09 -2.30 -0.00 0.00 0.00 175.22 173.57 3czm n PRO 209 N 6.02 1.27 0.03 0.24 -0.02 -1.26 -0.34 135.00 140.94 3czm n PRO 209 Ca 0.04 0.45 0.04 0.00 -2.02 0.00 0.00 63.50 62.02 3czm n PRO 209 Cb 0.48 -1.88 0.45 0.00 -0.02 0.00 0.00 33.50 32.52 3czm n PRO 209 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3czm h LEU 210 N 2.71 0.42 -2.31 2.45 5.85 -1.38 -2.42 115.31 120.63 3czm h LEU 210 Ca -0.41 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.33 3czm h LEU 210 Cb 1.34 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 3czm h LEU 210 CO 0.66 0.31 0.13 0.08 -0.34 0.00 0.00 178.44 179.27 3czm h ARG 210 N 0.49 0.00 -0.11 1.25 0.11 -1.89 0.69 114.38 114.92 3czm h ARG 210 Ca 0.13 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.01 3czm h ARG 210 Cb -0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.03 3czm h ARG 210 CO -0.03 0.00 -0.75 0.93 0.10 0.00 0.00 179.97 180.23 3czm h GLU 211 N 0.00 0.55 -0.23 0.08 5.08 -1.79 -0.50 114.58 117.77 3czm h GLU 211 Ca 0.05 -0.45 -0.12 0.00 -1.00 0.00 0.00 59.36 57.84 3czm h GLU 211 Cb 0.32 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3czm h GLU 211 CO -0.00 1.08 -0.38 0.74 -1.00 0.00 0.00 179.01 179.45 3czm h PHE 212 N 0.38 0.62 -0.20 4.33 -1.00 -1.02 -1.97 116.94 118.06 3czm h PHE 212 Ca -0.04 -0.17 -0.08 0.00 2.81 0.00 0.00 57.97 60.49 3czm h PHE 212 Cb 1.34 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 40.76 3czm h PHE 212 CO 0.06 0.83 -0.20 0.82 -1.61 0.00 0.00 178.31 178.21 3czm h ILE 213 N 0.44 1.33 -0.08 -0.55 2.04 -1.13 -0.23 117.51 119.33 3czm h ILE 213 Ca 0.04 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.55 3czm h ILE 213 Cb 0.86 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3czm h ILE 213 CO 0.07 0.42 0.05 0.50 0.00 0.00 0.00 178.15 179.19 3czm h LYS 214 N 0.17 0.07 -0.47 2.37 3.11 -0.96 -0.21 116.57 120.65 3czm h LYS 214 Ca 0.03 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 3czm h LYS 214 Cb 0.75 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 3czm h LYS 214 CO 0.05 0.04 0.00 1.63 -2.81 0.00 0.00 179.45 178.36 3czm n LYS 215 N -4.52 2.15 -0.60 1.90 5.02 -0.75 -4.93 118.16 116.43 3czm n LYS 215 Ca -0.02 -1.48 0.00 0.00 -2.02 0.00 0.00 58.31 54.80 3czm n LYS 215 Cb 0.11 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3czm n LYS 215 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3czm n GLY 216 N 0.97 1.77 0.41 0.72 0.00 -0.09 -4.91 105.19 104.06 3czm n GLY 216 Ca 0.14 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.37 3czm n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3czm h LYS 218 N 2.58 0.18 -2.35 1.61 1.79 -1.23 -3.43 116.57 115.72 3czm h LYS 218 Ca 0.00 -0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.57 3czm h LYS 218 Cb 0.00 -0.04 -0.14 0.00 -1.58 0.00 0.00 32.23 30.47 3czm h LYS 218 CO 0.00 0.12 0.47 0.00 -1.08 0.00 0.00 179.45 178.96 3czm s MET 219 N -5.19 0.90 0.32 3.15 0.23 -1.25 -4.83 119.30 112.63 3czm s MET 219 Ca -0.06 -0.35 0.06 0.00 -1.03 0.00 0.00 55.69 54.31 3czm s MET 219 Cb 0.21 0.40 -0.01 0.00 -1.53 0.00 0.00 34.83 33.90 3czm s MET 219 CO 0.76 -0.40 0.46 0.95 -2.03 0.00 0.00 175.02 174.76 3czm s THR 220 N -3.19 4.23 0.22 3.16 -4.23 -1.26 -4.24 115.64 110.34 3czm s THR 220 Ca 0.05 -0.99 -0.08 0.00 -1.18 0.00 0.00 61.69 59.50 3czm s THR 220 Cb -0.01 -3.47 0.18 0.00 1.34 0.00 0.00 72.50 70.54 3czm s THR 220 CO -0.08 -0.18 1.82 -0.33 -0.54 0.00 0.00 174.62 175.30 3czm h GLU 221 N 0.93 1.21 -1.01 3.99 4.39 -2.00 -2.07 114.58 120.03 3czm h GLU 221 Ca -0.47 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.08 3czm h GLU 221 Cb 1.25 -0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 29.63 3czm h GLU 221 CO 0.54 0.93 0.66 0.00 -1.16 0.00 0.00 179.01 179.98 3czm h ALA 222 N 1.22 1.33 -0.40 3.43 0.00 -1.99 -0.95 119.26 121.89 3czm h ALA 222 Ca 0.29 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3czm h ALA 222 Cb 0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3czm h ALA 222 CO -0.04 0.59 -0.20 -0.22 0.00 0.00 0.00 179.25 179.39 3czm h LYS 223 N 1.30 0.84 -0.27 0.00 1.63 -1.85 -0.49 116.57 117.72 3czm h LYS 223 Ca 0.39 -0.37 0.05 0.00 -0.85 0.00 0.00 60.65 59.88 3czm h LYS 223 Cb -0.05 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.51 3czm h LYS 223 CO -0.11 1.00 -0.07 1.25 -3.45 0.00 0.00 179.45 178.07 3czm h LEU 225 N 0.65 -0.25 -0.98 5.20 5.85 -0.70 0.13 115.31 125.21 3czm h LEU 225 Ca 0.09 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3czm h LEU 225 Cb 0.75 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 3czm h LEU 225 CO 0.06 -0.09 0.46 0.00 -0.34 0.00 0.00 178.44 178.53 3czm h ALA 226 N 1.27 1.22 -0.72 1.25 0.00 -1.05 0.99 119.26 122.22 3czm h ALA 226 Ca 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3czm h ALA 226 Cb 0.20 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3czm h ALA 226 CO -0.28 0.63 0.38 1.49 0.00 0.00 0.00 179.25 181.47 3czm h GLU 227 N 1.19 1.01 -0.24 0.00 4.81 -0.22 -1.84 114.58 119.28 3czm h GLU 227 Ca 0.30 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 59.28 3czm h GLU 227 Cb 0.03 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3czm h GLU 227 CO -0.05 0.76 -0.39 0.82 -0.73 0.00 0.00 179.01 179.42 3czm h ILE 228 N 0.99 1.30 -0.64 2.32 2.04 -0.02 -1.12 117.51 122.38 3czm h ILE 228 Ca 0.25 -1.55 -0.03 0.00 1.00 0.00 0.00 64.86 64.53 3czm h ILE 228 Cb 0.05 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 3czm h ILE 228 CO -0.04 0.49 0.27 0.58 0.00 0.00 0.00 178.15 179.44 3czm h VAL 229 N 0.46 1.23 -0.43 1.67 2.07 -0.48 -0.35 116.25 120.43 3czm h VAL 229 Ca 0.04 -0.71 -0.15 0.00 0.82 0.00 0.00 66.70 66.70 3czm h VAL 229 Cb 0.88 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3czm h VAL 229 CO 0.08 0.28 -0.31 -0.08 0.02 0.00 0.00 177.57 177.56 3czm h GLU 230 N 0.89 0.98 -0.82 1.57 4.57 -1.18 -3.01 114.58 117.58 3czm h GLU 230 Ca 0.21 -0.47 -0.02 0.00 -1.18 0.00 0.00 59.36 57.91 3czm h GLU 230 Cb 0.19 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 3czm h GLU 230 CO -0.02 1.14 0.45 -0.09 -1.18 0.00 0.00 179.01 179.30 3czm h ARG 231 N 0.82 1.14 -0.70 1.92 2.43 -0.88 -2.19 114.38 116.92 3czm h ARG 231 Ca 0.08 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3czm h ARG 231 Cb 0.90 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.18 3czm h ARG 231 CO 0.08 0.84 0.45 1.15 -1.51 0.00 0.00 179.97 180.98 3czm h THR 232 N 1.15 1.13 -0.53 0.20 2.02 -0.94 0.20 112.91 116.14 3czm h THR 232 Ca 0.29 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 3czm h THR 232 Cb 0.03 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 3czm h THR 232 CO -0.05 0.16 -0.03 0.11 0.37 0.00 0.00 175.52 176.08 3czm h LYS 233 N 0.90 0.94 -0.01 6.66 1.57 -1.34 -3.11 116.57 122.19 3czm h LYS 233 Ca 0.27 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3czm h LYS 233 Cb -0.04 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3czm h LYS 233 CO -0.08 0.95 -0.16 1.63 -0.57 0.00 0.00 179.45 181.21 3czm n LYS 234 N -4.18 0.98 -0.20 3.15 5.02 -0.87 -4.48 118.16 117.59 3czm n LYS 234 Ca 0.02 -0.52 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 3czm n LYS 234 Cb 0.35 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 33.96 3czm n LYS 234 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3czm h ALA 235 N 3.82 0.59 0.18 7.82 0.00 -0.89 -1.69 119.26 129.09 3czm h ALA 235 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3czm h ALA 235 Cb 0.45 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3czm h ALA 235 CO 0.00 -0.38 -0.19 0.78 0.00 0.00 0.00 179.25 179.46 3czm h GLY 236 N 0.13 -0.40 1.85 0.00 0.00 -1.82 -2.33 103.07 100.50 3czm h GLY 236 Ca 0.31 0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.83 3czm h GLY 236 CO -0.49 -0.18 -0.01 -1.33 0.00 0.00 0.00 176.54 174.53 3czm h GLY 237 N -0.41 0.21 0.94 4.60 0.00 -1.81 -0.51 103.07 106.09 3czm h GLY 237 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 3czm h GLY 237 CO -0.05 0.09 0.06 0.83 0.00 0.00 0.00 176.54 177.47 3czm h GLU 238 N 0.19 0.69 -0.49 4.80 4.39 -0.98 0.07 114.58 123.25 3czm h GLU 238 Ca 0.05 -0.19 -0.13 0.00 0.34 0.00 0.00 59.36 59.43 3czm h GLU 238 Cb 0.15 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3czm h GLU 238 CO 0.00 0.73 -0.20 0.82 -1.16 0.00 0.00 179.01 179.20 3czm h ILE 239 N 0.54 1.27 -0.71 3.13 2.04 -0.95 -2.74 117.51 120.09 3czm h ILE 239 Ca 0.12 -1.37 0.03 0.00 1.00 0.00 0.00 64.86 64.65 3czm h ILE 239 Cb 0.38 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 3czm h ILE 239 CO 0.01 0.48 0.44 0.58 0.00 0.00 0.00 178.15 179.66 3czm h VAL 240 N 0.87 1.09 0.00 1.67 2.07 -0.89 0.17 116.25 121.23 3czm h VAL 240 Ca 0.11 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3czm h VAL 240 Cb 0.78 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3czm h VAL 240 CO 0.07 0.16 0.00 -1.14 0.02 0.00 0.00 177.57 176.67 3czm n ARG 241 N -4.66 0.35 0.00 1.57 0.63 -0.01 -2.00 116.66 112.54 3czm n ARG 241 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 3czm n ARG 241 Cb 0.09 -1.15 0.00 0.00 0.45 0.00 0.00 32.46 31.85 3czm n ARG 241 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3czm n LEU 242 N 0.19 0.00 0.00 6.15 4.77 0.60 -4.93 117.00 123.78 3czm n LEU 242 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3czm n LEU 242 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3czm n LEU 242 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3czm n GLY 242 N 0.00 2.16 3.07 -0.72 0.00 -0.85 -4.96 105.19 103.88 3czm n GLY 242 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3czm n GLY 242 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3czm s GLN 243 N -0.16 0.21 2.95 1.61 0.74 -1.26 -5.12 119.66 118.64 3czm s GLN 243 Ca 0.00 0.56 0.00 0.00 0.05 0.00 0.00 55.36 55.97 3czm s GLN 243 Cb 0.00 -0.11 0.00 0.00 1.10 0.00 0.00 33.01 34.00 3czm s GLN 243 CO 0.00 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 174.98 3czm n GLY 244 N 4.28 0.95 1.73 2.59 0.00 -1.26 -4.94 105.19 108.55 3czm n GLY 244 Ca -0.24 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 3czm n GLY 244 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3czm n SER 245 N -3.19 -0.43 -4.59 1.61 3.41 -1.26 -4.68 113.62 104.49 3czm n SER 245 Ca 0.00 -2.16 -0.38 0.00 -0.26 0.00 0.00 58.87 56.07 3czm n SER 245 Cb 0.00 0.96 0.05 0.00 -0.26 0.00 0.00 64.21 64.96 3czm n SER 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3czm n ALA 246 N -1.77 -0.01 0.00 7.33 0.00 -1.26 -4.94 120.51 119.86 3czm n ALA 246 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3czm n ALA 246 Cb 0.32 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3czm n ALA 246 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3czm n TYR 247 N -1.60 0.00 0.39 0.00 4.11 -1.26 -4.80 117.16 113.99 3czm n TYR 247 Ca 0.13 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.88 3czm n TYR 247 Cb 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.73 3czm n TYR 247 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.86 178.74 3czm h TYR 248 N 0.00 -0.93 -0.76 -3.48 0.99 -1.92 0.39 116.97 111.26 3czm h TYR 248 Ca 0.00 -0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.65 3czm h TYR 248 Cb 0.00 0.31 -0.03 0.00 1.00 0.00 0.00 36.73 38.00 3czm h TYR 248 CO 0.00 -0.58 0.26 0.00 -0.00 0.00 0.00 178.16 177.84 3czm h ALA 249 N -1.38 1.01 -0.43 3.88 0.00 -1.99 -2.15 119.26 118.21 3czm h ALA 249 Ca -0.10 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.61 3czm h ALA 249 Cb 0.77 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3czm h ALA 249 CO 0.17 0.67 0.24 -1.35 0.00 0.00 0.00 179.25 178.98 3czm h PRO 250 N 1.13 0.47 -0.82 0.00 0.11 -1.87 0.10 132.00 131.13 3czm h PRO 250 Ca 0.25 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 3czm h PRO 250 Cb 0.28 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.25 3czm h PRO 250 CO -0.01 0.31 0.35 0.00 -0.21 0.00 0.00 178.00 178.44 3czm h ALA 251 N 1.20 1.06 -0.13 -0.75 0.00 -0.73 -1.86 119.26 118.06 3czm h ALA 251 Ca 0.18 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3czm h ALA 251 Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3czm h ALA 251 CO -0.10 0.67 -0.53 1.25 0.00 0.00 0.00 179.25 180.54 3czm h LEU 252 N 1.18 0.41 0.12 0.00 5.85 -0.99 -1.43 115.31 120.45 3czm h LEU 252 Ca 0.27 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3czm h LEU 252 Cb 0.19 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3czm h LEU 252 CO -0.03 0.87 -0.06 0.28 -0.34 0.00 0.00 178.44 179.16 3czm h SER 253 N 0.29 -0.14 -0.52 1.25 0.02 -0.41 -0.68 113.55 113.36 3czm h SER 253 Ca 0.01 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3czm h SER 253 Cb 1.03 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 3czm h SER 253 CO 0.09 0.01 0.30 0.00 -1.14 0.00 0.00 176.83 176.09 3czm h ALA 254 N 0.59 0.66 -0.03 3.77 0.00 -1.27 -2.40 119.26 120.58 3czm h ALA 254 Ca -0.02 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3czm h ALA 254 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3czm h ALA 254 CO 0.03 0.16 -0.34 0.82 0.00 0.00 0.00 179.25 179.91 3czm h ILE 255 N 0.69 1.26 -0.47 0.00 1.08 -1.19 -0.45 117.51 118.42 3czm h ILE 255 Ca 0.18 -1.23 -0.10 0.00 -0.39 0.00 0.00 64.86 63.33 3czm h ILE 255 Cb 0.01 1.62 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 3czm h ILE 255 CO -0.03 0.36 -0.10 0.74 -0.69 0.00 0.00 178.15 178.42 3czm h THR 256 N 0.05 1.26 -0.23 -0.27 2.02 -0.77 0.73 112.91 115.70 3czm h THR 256 Ca 0.00 -1.19 -0.10 0.00 0.77 0.00 0.00 66.41 65.89 3czm h THR 256 Cb 0.64 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3czm h THR 256 CO 0.05 0.41 -0.26 0.24 0.37 0.00 0.00 175.52 176.32 3czm h MET 257 N 0.77 0.59 -0.98 6.66 2.86 -0.93 -1.92 114.93 121.99 3czm h MET 257 Ca 0.13 -0.32 0.03 0.00 -2.06 0.00 0.00 59.70 57.48 3czm h MET 257 Cb 0.60 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.23 3czm h MET 257 CO 0.04 0.92 0.64 0.00 1.06 0.00 0.00 176.91 179.57 3czm h ALA 258 N 0.66 1.29 -0.30 6.32 0.00 -0.84 -2.00 119.26 124.38 3czm h ALA 258 Ca 0.03 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3czm h ALA 258 Cb 0.83 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3czm h ALA 258 CO 0.06 0.53 -0.39 0.37 0.00 0.00 0.00 179.25 179.83 3czm h GLN 259 N 1.24 0.72 -0.75 0.00 4.15 -0.77 -0.96 115.11 118.74 3czm h GLN 259 Ca 0.39 -0.37 0.06 0.00 0.77 0.00 0.00 58.65 59.49 3czm h GLN 259 Cb -0.01 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.64 3czm h GLN 259 CO -0.12 0.98 0.49 0.00 -1.93 0.00 0.00 178.83 178.26 3czm h ALA 260 N 0.97 1.64 0.26 3.38 0.00 -0.65 -0.23 119.26 124.64 3czm h ALA 260 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3czm h ALA 260 Cb 0.93 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3czm h ALA 260 CO 0.08 0.25 -0.13 0.35 0.00 0.00 0.00 179.25 179.81 3czm h PHE 261 N 0.83 -0.33 -0.93 0.00 3.57 -1.10 -1.04 116.94 117.94 3czm h PHE 261 Ca 0.32 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.98 3czm h PHE 261 Cb 0.20 0.11 -0.10 0.00 2.79 0.00 0.00 35.95 38.94 3czm h PHE 261 CO -0.00 -0.08 0.53 -0.07 -2.23 0.00 0.00 178.31 176.46 3czm h LEU 262 N -1.04 0.67 -3.13 0.59 3.38 -0.95 -1.65 115.31 113.18 3czm h LEU 262 Ca -0.04 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3czm h LEU 262 Cb 0.40 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3czm h LEU 262 CO 0.06 0.26 0.00 0.29 0.09 0.00 0.00 178.44 179.14 3czm n LYS 263 N -4.81 3.41 -4.11 1.13 5.02 -0.12 -4.98 118.16 113.71 3czm n LYS 263 Ca 0.20 -2.71 -0.36 0.00 -2.02 0.00 0.00 58.31 53.42 3czm n LYS 263 Cb 0.50 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 3czm n LYS 263 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3czm n ASP 264 N 0.59 -1.72 0.14 4.39 2.03 -0.62 -4.86 116.55 116.50 3czm n ASP 264 Ca 0.22 -1.22 0.02 0.00 0.52 0.00 0.00 54.79 54.33 3czm n ASP 264 Cb 0.80 -2.04 0.03 0.00 -0.72 0.00 0.00 41.12 39.20 3czm n ASP 264 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3czm h GLU 265 N -2.12 0.00 -4.84 -0.67 5.08 -1.42 -3.42 114.58 107.18 3czm h GLU 265 Ca -0.68 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.44 3czm h GLU 265 Cb 1.39 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.78 3czm h GLU 265 CO 0.60 0.51 -0.61 1.63 -1.00 0.00 0.00 179.01 180.14 3czm n LYS 266 N -3.24 -4.72 -3.22 2.33 5.02 -0.62 -5.00 118.16 108.71 3czm n LYS 266 Ca 0.02 0.66 -0.33 0.00 -2.02 0.00 0.00 58.31 56.64 3czm n LYS 266 Cb 0.73 -5.08 -0.06 0.00 -0.02 0.00 0.00 35.03 30.60 3czm n LYS 266 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3czm s ARG 267 N -4.93 3.98 -0.47 1.97 1.81 -0.71 -4.75 118.95 115.84 3czm s ARG 267 Ca 0.04 0.58 -0.22 0.00 -1.72 0.00 0.00 55.73 54.41 3czm s ARG 267 Cb -0.01 -2.57 0.03 0.00 -0.45 0.00 0.00 34.95 31.95 3czm s ARG 267 CO 0.57 0.25 0.76 0.08 -0.68 0.00 0.00 175.30 176.27 3czm s VAL 268 N -1.85 4.68 -0.26 3.52 1.01 -1.26 -0.66 120.40 125.58 3czm s VAL 268 Ca 0.50 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.66 3czm s VAL 268 Cb -0.12 -4.33 0.08 0.00 0.00 0.00 0.00 36.38 32.02 3czm s VAL 268 CO 0.19 -0.77 0.08 -0.76 0.00 0.00 0.00 175.10 173.84 3czm s LEU 269 N 3.20 1.42 0.17 3.92 1.43 0.59 -4.93 118.68 124.48 3czm s LEU 269 Ca 0.26 -1.24 -0.33 0.00 -1.03 0.00 0.00 54.13 51.80 3czm s LEU 269 Cb -0.14 -0.63 -0.13 0.00 0.03 0.00 0.00 46.19 45.32 3czm s LEU 269 CO 0.20 -0.38 1.67 -2.65 0.23 0.00 0.00 176.35 175.42 3czm n PRO 270 N 5.02 2.48 -3.85 1.29 -0.02 -1.26 -3.73 135.00 134.93 3czm n PRO 270 Ca -0.06 0.90 -0.09 0.00 -2.02 0.00 0.00 63.50 62.23 3czm n PRO 270 Cb 0.44 -2.71 -0.04 0.00 -0.02 0.00 0.00 33.50 31.17 3czm n PRO 270 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3czm s SER 272 N -2.93 6.83 0.19 0.00 0.15 0.43 -1.85 113.70 116.52 3czm s SER 272 Ca 0.14 1.50 0.07 0.00 0.70 0.00 0.00 55.95 58.35 3czm s SER 272 Cb -0.02 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.71 3czm s SER 272 CO 0.03 -0.89 -0.13 0.68 1.20 0.00 0.00 173.24 174.13 3czm s VAL 273 N 3.86 1.57 0.06 4.45 -7.23 -0.91 -0.98 120.40 121.21 3czm s VAL 273 Ca 0.55 -2.15 -0.31 0.00 -1.81 0.00 0.00 61.98 58.26 3czm s VAL 273 Cb -0.20 -1.97 -0.08 0.00 0.56 0.00 0.00 36.38 34.69 3czm s VAL 273 CO 0.18 -0.63 1.65 -0.47 -0.31 0.00 0.00 175.10 175.51 3czm s TYR 274 N -3.04 2.39 -0.04 2.82 5.04 -1.26 -2.87 117.35 120.40 3czm s TYR 274 Ca 0.20 0.32 -0.15 0.00 -2.44 0.00 0.00 57.07 55.01 3czm s TYR 274 Cb 0.00 -3.95 -0.05 0.00 0.35 0.00 0.00 41.96 38.31 3czm s TYR 274 CO 0.05 -3.83 0.40 0.00 -1.34 0.00 0.00 175.55 170.83 3czm n GLN 276 N 2.26 1.01 0.00 0.00 10.64 -1.20 -2.88 117.38 127.22 3czm n GLN 276 Ca -0.13 -3.02 0.00 0.00 -1.83 0.00 0.00 57.00 52.03 3czm n GLN 276 Cb 0.52 -1.45 0.00 0.00 -0.86 0.00 0.00 30.24 28.46 3czm n GLN 276 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3czm n GLY 277 N 0.21 2.34 3.71 2.61 0.00 0.25 -4.99 105.19 109.32 3czm n GLY 277 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3czm n GLY 277 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3czm s GLU 278 N -0.28 4.13 -1.90 1.61 8.01 -1.26 -0.22 118.70 128.79 3czm s GLU 278 Ca 0.00 2.61 0.00 0.00 0.01 0.00 0.00 54.97 57.59 3czm s GLU 278 Cb 0.00 -3.27 0.00 0.00 -4.31 0.00 0.00 34.13 26.55 3czm s GLU 278 CO 0.00 -0.79 0.00 0.66 0.01 0.00 0.00 175.26 175.14 3czm n TYR 279 N 4.63 -0.03 -1.29 1.61 4.01 -1.26 -1.36 117.16 123.47 3czm n TYR 279 Ca 0.17 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.84 3czm n TYR 279 Cb 0.36 -3.24 -0.02 0.00 -0.31 0.00 0.00 39.34 36.13 3czm n TYR 279 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3czm n GLY 280 N -0.22 0.79 3.91 2.72 0.00 0.69 -5.04 105.19 108.04 3czm n GLY 280 Ca -0.18 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 3czm n GLY 280 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3czm s LEU 281 N -1.48 4.37 0.02 0.99 1.43 -0.47 -4.85 118.68 118.68 3czm s LEU 281 Ca 0.00 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 3czm s LEU 281 Cb 0.00 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.48 3czm s LEU 281 CO 0.00 0.23 -0.03 -1.00 0.23 0.00 0.00 176.35 175.78 3czm s HIS 282 N -1.37 0.27 -1.14 0.29 3.76 -1.26 0.85 115.29 116.68 3czm s HIS 282 Ca 0.29 -0.38 -0.28 0.00 -0.15 0.00 0.00 55.06 54.54 3czm s HIS 282 Cb -0.13 -0.19 0.04 0.00 1.11 0.00 0.00 32.58 33.41 3czm s HIS 282 CO 0.21 -0.12 0.68 -3.47 -0.85 0.00 0.00 174.74 171.18 3czm n ASP 283 N 1.99 -4.34 -3.57 1.40 2.03 -1.14 -4.97 116.55 107.95 3czm n ASP 283 Ca -0.21 -1.23 -0.06 0.00 0.52 0.00 0.00 54.79 53.81 3czm n ASP 283 Cb 0.56 -1.75 -0.02 0.00 -0.72 0.00 0.00 41.12 39.19 3czm n ASP 283 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3czm s MET 285 N -6.93 0.84 0.01 -0.67 0.23 -1.26 -5.01 119.30 106.50 3czm s MET 285 Ca 0.41 -0.36 0.05 0.00 -1.03 0.00 0.00 55.69 54.76 3czm s MET 285 Cb -0.22 0.35 -0.03 0.00 -1.53 0.00 0.00 34.83 33.40 3czm s MET 285 CO 0.96 -0.37 -0.15 -0.06 -2.03 0.00 0.00 175.02 173.37 3czm s PHE 286 N -3.07 2.66 -0.05 3.16 0.40 -1.26 -0.80 117.98 119.03 3czm s PHE 286 Ca 0.07 -0.19 -0.29 0.00 -0.60 0.00 0.00 56.93 55.92 3czm s PHE 286 Cb -0.01 -1.54 0.09 0.00 0.51 0.00 0.00 43.02 42.08 3czm s PHE 286 CO -0.06 0.26 0.81 -1.50 0.70 0.00 0.00 175.22 175.42 3czm s ILE 287 N -0.89 0.00 0.04 0.64 2.07 -1.14 -4.80 121.20 117.13 3czm s ILE 287 Ca 0.14 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.08 3czm s ILE 287 Cb -0.11 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.40 3czm s ILE 287 CO 0.04 0.00 1.75 -0.83 -1.91 0.00 0.00 174.94 174.00 3czm s GLY 288 N -1.59 1.50 0.04 1.50 0.00 -0.82 -2.15 107.32 105.80 3czm s GLY 288 Ca -0.04 1.21 -0.07 0.00 0.00 0.00 0.00 44.72 45.83 3czm s GLY 288 CO 0.01 3.10 0.12 1.08 0.00 0.00 0.00 173.10 177.41 3czm s LEU 289 N 3.38 1.69 0.13 0.66 1.43 -0.77 -0.16 118.68 125.04 3czm s LEU 289 Ca 0.78 -0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 53.06 3czm s LEU 289 Cb -0.40 0.71 -0.08 0.00 0.03 0.00 0.00 46.19 46.45 3czm s LEU 289 CO 0.34 -0.54 1.41 -2.84 0.23 0.00 0.00 176.35 174.95 3czm s PRO 290 N -2.72 4.31 0.17 1.29 0.02 -1.26 -1.97 135.00 134.85 3czm s PRO 290 Ca -0.04 2.12 0.01 0.00 0.02 0.00 0.00 61.00 63.11 3czm s PRO 290 Cb -0.00 -3.22 -0.05 0.00 0.02 0.00 0.00 34.50 31.25 3czm s PRO 290 CO -0.05 -0.44 0.02 0.00 -0.33 0.00 0.00 177.00 176.20 3czm s ALA 291 N 0.97 1.29 -0.23 -1.55 0.00 -1.24 -1.31 121.76 119.68 3czm s ALA 291 Ca 0.64 -1.60 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 3czm s ALA 291 Cb -0.38 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.43 3czm s ALA 291 CO 0.32 -0.37 -0.07 0.08 0.00 0.00 0.00 175.76 175.72 3czm s VAL 292 N -3.75 2.90 -0.22 0.00 1.01 -0.09 -0.30 120.40 119.95 3czm s VAL 292 Ca 0.26 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 3czm s VAL 292 Cb 0.07 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3czm s VAL 292 CO 0.05 0.29 0.09 -0.63 0.00 0.00 0.00 175.10 174.90 3czm s ILE 293 N 1.36 4.82 0.00 2.22 1.01 0.17 -0.68 121.20 130.10 3czm s ILE 293 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.66 3czm s ILE 293 Cb -0.16 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.10 3czm s ILE 293 CO -0.05 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.89 3czm n GLY 294 N 4.14 4.38 0.16 6.18 0.00 -0.66 -1.58 105.19 117.81 3czm n GLY 294 Ca -0.16 -1.31 0.12 0.00 0.00 0.00 0.00 46.02 44.67 3czm n GLY 294 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3czm h GLY 295 N 0.00 0.00 -2.45 -0.02 0.00 -1.74 -1.46 103.07 97.41 3czm h GLY 295 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3czm h GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3czm n GLY 296 N -0.59 2.06 5.02 4.60 0.00 -1.26 -5.03 105.19 109.99 3czm n GLY 296 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3czm n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3czm n GLY 297 N 1.22 0.50 3.56 -0.02 0.00 -0.55 -4.54 105.19 105.35 3czm n GLY 297 Ca 0.21 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 3czm n GLY 297 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3czm s ILE 298 N 0.00 3.94 -0.12 -0.61 -1.09 0.10 -1.65 121.20 121.78 3czm s ILE 298 Ca 0.00 0.57 0.16 0.00 -2.23 0.00 0.00 60.65 59.15 3czm s ILE 298 Cb 0.00 -4.79 -0.09 0.00 -1.58 0.00 0.00 42.46 36.00 3czm s ILE 298 CO 0.00 -1.55 1.01 -0.33 -1.23 0.00 0.00 174.94 172.83 3czm h GLU 299 N 9.73 0.00 -2.93 2.79 5.08 -1.14 -3.46 114.58 124.65 3czm h GLU 299 Ca -0.27 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.96 3czm h GLU 299 Cb 1.06 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.06 3czm h GLU 299 CO 1.22 0.38 -0.32 -0.65 -1.00 0.00 0.00 179.01 178.65 3czm s GLN 301 N -2.92 0.43 -0.25 2.33 -0.21 -1.19 -4.97 119.66 112.87 3czm s GLN 301 Ca -0.01 0.40 0.03 0.00 0.02 0.00 0.00 55.36 55.79 3czm s GLN 301 Cb 0.08 0.20 0.06 0.00 1.00 0.00 0.00 33.01 34.36 3czm s GLN 301 CO 0.79 -0.06 -0.10 0.08 -2.12 0.00 0.00 175.29 173.88 3czm s VAL 302 N 0.01 2.08 -0.08 1.09 1.01 -1.26 -0.91 120.40 122.34 3czm s VAL 302 Ca -0.02 -1.56 -0.30 0.00 0.00 0.00 0.00 61.98 60.10 3czm s VAL 302 Cb -0.03 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 3czm s VAL 302 CO 0.01 -0.02 1.09 -0.63 0.00 0.00 0.00 175.10 175.55 3czm s ILE 303 N 1.14 4.54 -0.41 2.22 1.01 -0.43 -5.01 121.20 124.27 3czm s ILE 303 Ca -0.08 1.84 -0.08 0.00 0.00 0.00 0.00 60.65 62.32 3czm s ILE 303 Cb -0.20 -4.18 0.08 0.00 0.01 0.00 0.00 42.46 38.17 3czm s ILE 303 CO -0.05 0.00 0.23 -0.70 0.00 0.00 0.00 174.94 174.42 3czm s GLU 304 N 2.09 2.56 0.32 2.79 2.12 -1.26 -4.36 118.70 122.96 3czm s GLU 304 Ca 0.52 -1.45 -0.26 0.00 0.36 0.00 0.00 54.97 54.14 3czm s GLU 304 Cb -0.21 -3.71 -0.10 0.00 0.26 0.00 0.00 34.13 30.37 3czm s GLU 304 CO 0.20 -0.92 0.95 -0.51 -0.54 0.00 0.00 175.26 174.44 3czm s LEU 305 N 1.40 4.34 -1.21 2.70 1.43 -1.26 -4.95 118.68 121.12 3czm s LEU 305 Ca 0.03 1.85 -0.21 0.00 -1.03 0.00 0.00 54.13 54.77 3czm s LEU 305 Cb -0.22 -4.01 -0.02 0.00 0.03 0.00 0.00 46.19 41.97 3czm s LEU 305 CO 0.02 -0.08 1.84 -1.61 0.23 0.00 0.00 176.35 176.74 3czm s GLU 306 N -2.05 3.13 0.42 1.70 2.02 -1.26 -4.95 118.70 117.71 3czm s GLU 306 Ca 0.50 -1.45 -0.24 0.00 0.02 0.00 0.00 54.97 53.81 3czm s GLU 306 Cb -0.19 -5.36 -0.08 0.00 0.10 0.00 0.00 34.13 28.60 3czm s GLU 306 CO 0.24 -3.20 1.10 -0.51 0.02 0.00 0.00 175.26 172.91 3czm s LEU 307 N 8.03 4.10 0.78 1.80 1.43 -1.26 -5.04 118.68 128.52 3czm s LEU 307 Ca 0.62 2.14 -0.12 0.00 -1.03 0.00 0.00 54.13 55.74 3czm s LEU 307 Cb 0.01 -4.20 0.06 0.00 0.03 0.00 0.00 46.19 42.09 3czm s LEU 307 CO 0.09 -0.65 1.16 0.42 0.23 0.00 0.00 176.35 177.60 3czm s THR 308 N -1.61 2.38 0.19 5.49 -4.23 -1.26 -4.80 115.64 111.80 3czm s THR 308 Ca 0.60 0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 61.11 3czm s THR 308 Cb -0.25 -3.12 0.10 0.00 1.34 0.00 0.00 72.50 70.57 3czm s THR 308 CO 0.30 -0.16 1.77 -0.74 -0.54 0.00 0.00 174.62 175.25 3czm h HIS 309 N -0.95 0.42 -0.13 3.99 2.76 -1.98 0.14 115.15 119.39 3czm h HIS 309 Ca -0.46 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 57.77 3czm h HIS 309 Cb 1.31 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 30.13 3czm h HIS 309 CO 0.36 0.17 -0.07 1.49 -1.30 0.00 0.00 177.93 178.58 3czm h GLU 310 N 0.45 -0.07 -0.43 5.26 4.81 -1.99 0.26 114.58 122.87 3czm h GLU 310 Ca 0.25 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 3czm h GLU 310 Cb 0.22 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3czm h GLU 310 CO -0.21 -0.04 0.05 0.93 -0.73 0.00 0.00 179.01 179.00 3czm h GLU 311 N -0.07 0.66 -0.69 1.92 5.08 -1.83 -2.13 114.58 117.52 3czm h GLU 311 Ca 0.08 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3czm h GLU 311 Cb 0.18 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3czm h GLU 311 CO -0.18 0.65 0.29 1.96 -1.00 0.00 0.00 179.01 180.73 3czm h GLN 312 N 0.63 1.03 -0.27 2.33 4.20 0.33 0.20 115.11 123.57 3czm h GLN 312 Ca 0.14 -0.18 0.04 0.00 0.06 0.00 0.00 58.65 58.71 3czm h GLN 312 Cb 0.33 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 3czm h GLN 312 CO 0.01 0.84 0.04 0.93 -0.67 0.00 0.00 178.83 179.98 3czm h GLU 313 N 0.98 0.13 -0.28 1.46 5.08 0.09 0.80 114.58 122.85 3czm h GLU 313 Ca 0.23 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3czm h GLU 313 Cb 0.19 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3czm h GLU 313 CO -0.02 0.09 0.12 0.00 -1.00 0.00 0.00 179.01 178.20 3czm h PHE 315 N 0.31 0.28 -0.18 0.00 3.04 -0.14 -1.93 116.94 118.31 3czm h PHE 315 Ca 0.09 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.92 3czm h PHE 315 Cb 0.16 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 3czm h PHE 315 CO -0.01 0.22 -0.42 -0.09 -2.02 0.00 0.00 178.31 175.98 3czm h ARG 316 N 0.30 0.43 -0.22 1.11 2.43 -0.55 -0.47 114.38 117.40 3czm h ARG 316 Ca 0.08 -0.22 -0.09 0.00 -0.81 0.00 0.00 59.98 58.94 3czm h ARG 316 Cb 0.04 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3czm h ARG 316 CO -0.01 0.78 -0.23 0.87 -1.51 0.00 0.00 179.97 179.86 3czm h LYS 317 N 0.36 0.41 -0.23 0.20 1.57 -1.12 0.13 116.57 117.89 3czm h LYS 317 Ca 0.03 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 3czm h LYS 317 Cb 0.89 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 3czm h LYS 317 CO 0.07 0.62 -0.03 1.03 -0.57 0.00 0.00 179.45 180.58 3czm h SER 318 N 0.37 0.43 -0.71 0.86 0.87 -0.94 -2.78 113.55 111.65 3czm h SER 318 Ca 0.06 -0.34 -0.07 0.00 -1.23 0.00 0.00 61.79 60.21 3czm h SER 318 Cb 0.61 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 3czm h SER 318 CO 0.04 0.67 0.18 0.58 -0.53 0.00 0.00 176.83 177.78 3czm h VAL 319 N 0.18 1.26 -0.92 2.23 2.07 -0.74 -2.64 116.25 117.70 3czm h VAL 319 Ca 0.06 -0.96 0.13 0.00 0.82 0.00 0.00 66.70 66.75 3czm h VAL 319 Cb 0.47 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 3czm h VAL 319 CO 0.02 0.37 0.59 0.44 0.02 0.00 0.00 177.57 179.01 3czm h ASP 320 N 1.08 0.76 -0.19 0.57 3.32 -0.58 -0.58 116.42 120.79 3czm h ASP 320 Ca 0.23 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 3czm h ASP 320 Cb 0.36 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3czm h ASP 320 CO 0.00 0.40 0.05 0.44 -1.72 0.00 0.00 179.24 178.41 3czm h ASP 321 N 0.81 0.29 -0.43 6.45 3.45 -1.20 -1.09 116.42 124.71 3czm h ASP 321 Ca 0.45 -0.22 -0.11 0.00 0.43 0.00 0.00 57.03 57.59 3czm h ASP 321 Cb 0.59 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.27 3czm h ASP 321 CO -0.22 0.43 -0.12 0.58 -1.57 0.00 0.00 179.24 178.35 3czm h VAL 322 N 0.13 1.26 -0.63 -1.35 2.07 -1.31 -1.28 116.25 115.14 3czm h VAL 322 Ca 0.06 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 3czm h VAL 322 Cb 0.25 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3czm h VAL 322 CO -0.00 0.43 0.35 0.58 0.02 0.00 0.00 177.57 178.95 3czm h VAL 323 N 0.80 1.20 0.06 2.57 2.07 -1.04 0.62 116.25 122.54 3czm h VAL 323 Ca 0.13 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 3czm h VAL 323 Cb 0.65 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3czm h VAL 323 CO 0.04 0.21 -0.03 -0.08 0.02 0.00 0.00 177.57 177.74 3czm h GLU 324 N 0.86 -0.08 -0.60 1.57 4.57 -0.91 -1.84 114.58 118.15 3czm h GLU 324 Ca 0.22 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.47 3czm h GLU 324 Cb 0.03 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 3czm h GLU 324 CO -0.04 0.08 0.31 -0.07 -1.18 0.00 0.00 179.01 178.11 3czm h LEU 325 N -0.23 0.44 -1.94 1.64 3.38 -1.04 0.23 115.31 117.78 3czm h LEU 325 Ca -0.01 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3czm h LEU 325 Cb 0.20 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3czm h LEU 325 CO 0.01 0.29 -0.07 0.78 0.09 0.00 0.00 178.44 179.54 3czm h ASN 325 N 0.57 0.00 -0.06 -0.43 2.35 -0.72 -0.16 115.58 117.14 3czm h ASN 325 Ca 0.27 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.94 3czm h ASN 325 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3czm h ASN 325 CO -0.19 0.07 -0.26 0.11 -1.65 0.00 0.00 177.43 175.51 3czm h LYS 326 N 0.00 0.29 -0.15 0.81 1.57 -0.20 -2.50 116.57 116.39 3czm h LYS 326 Ca -0.00 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3czm h LYS 326 Cb 0.14 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3czm h LYS 326 CO 0.01 0.87 0.11 0.77 -0.57 0.00 0.00 179.45 180.63 3czm h SER 327 N -0.22 0.09 -0.05 0.86 0.02 -0.21 -0.83 113.55 113.21 3czm h SER 327 Ca -0.02 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 3czm h SER 327 Cb 0.91 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3czm h SER 327 CO 0.06 0.06 -0.10 0.25 -1.14 0.00 0.00 176.83 175.95 3czm h LEU 328 N 0.10 0.17 -1.93 5.07 5.85 -0.98 -3.02 115.31 120.57 3czm h LEU 328 Ca 0.07 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 3czm h LEU 328 Cb 0.14 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 3czm h LEU 328 CO -0.01 0.72 -0.10 0.00 -0.34 0.00 0.00 178.44 178.71 3czm h ALA 329 N 0.46 1.63 0.00 1.25 0.00 -0.98 -2.11 119.26 119.51 3czm h ALA 329 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3czm h ALA 329 Cb 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3czm h ALA 329 CO 0.02 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.40 3czm n ALA 330 N -2.43 2.44 0.02 0.00 0.00 -0.36 -5.11 120.51 115.08 3czm n ALA 330 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3czm n ALA 330 Cb 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3czm n ALA 330 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78