#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pn8 s PHE 80 N 0.00 1.45 0.23 -0.72 0.08 -1.26 -5.15 117.98 112.61 2pn8 s PHE 80 Ca 0.00 -1.21 -0.27 0.00 0.12 0.00 0.00 56.93 55.58 2pn8 s PHE 80 Cb 0.00 -0.82 -0.09 0.00 -0.57 0.00 0.00 43.02 41.54 2pn8 s PHE 80 CO 0.00 -0.38 0.87 -1.14 -0.10 0.00 0.00 175.22 174.47 2pn8 s GLN 81 N -4.05 4.66 -1.10 0.44 0.74 -1.26 -4.29 119.66 114.81 2pn8 s GLN 81 Ca 0.37 1.30 -0.01 0.00 0.05 0.00 0.00 55.36 57.07 2pn8 s GLN 81 Cb 0.08 -3.14 -0.01 0.00 1.10 0.00 0.00 33.01 31.03 2pn8 s GLN 81 CO 0.13 0.47 0.92 0.43 -0.55 0.00 0.00 175.29 176.69 2pn8 n SER 82 N 1.26 -3.02 -4.79 6.67 7.64 -1.26 -5.00 113.62 115.12 2pn8 n SER 82 Ca -0.02 -0.60 -0.39 0.00 1.01 0.00 0.00 58.87 58.87 2pn8 n SER 82 Cb 0.49 -4.87 -0.06 0.00 -1.01 0.00 0.00 64.21 58.76 2pn8 n SER 82 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2pn8 s MET 83 N -5.06 4.38 0.38 1.43 1.00 -1.26 -4.92 119.30 115.25 2pn8 s MET 83 Ca 0.10 0.93 -0.27 0.00 0.00 0.00 0.00 55.69 56.45 2pn8 s MET 83 Cb -0.01 -3.26 -0.09 0.00 0.00 0.00 0.00 34.83 31.46 2pn8 s MET 83 CO 0.69 0.57 1.25 -2.14 0.00 0.00 0.00 175.02 175.39 2pn8 s PRO 84 N -1.00 4.13 0.29 2.03 0.02 -1.26 -1.36 135.00 137.86 2pn8 s PRO 84 Ca 0.32 2.05 -0.30 0.00 0.02 0.00 0.00 61.00 63.09 2pn8 s PRO 84 Cb -0.21 -2.84 -0.11 0.00 0.02 0.00 0.00 34.50 31.36 2pn8 s PRO 84 CO 0.22 -0.32 1.61 0.00 -0.33 0.00 0.00 177.00 178.19 2pn8 s ALA 85 N -1.27 3.77 0.30 -1.55 0.00 -0.17 -4.70 121.76 118.15 2pn8 s ALA 85 Ca 0.54 1.58 -0.30 0.00 0.00 0.00 0.00 51.96 53.79 2pn8 s ALA 85 Cb -0.36 -3.66 -0.12 0.00 0.00 0.00 0.00 23.12 18.98 2pn8 s ALA 85 CO 0.46 -0.99 1.45 -2.30 0.00 0.00 0.00 175.76 174.38 2pn8 n PRO 86 N 2.37 2.35 -1.73 0.00 -0.02 -1.26 -4.92 135.00 131.79 2pn8 n PRO 86 Ca 0.09 0.83 -0.40 0.00 -2.02 0.00 0.00 63.50 62.00 2pn8 n PRO 86 Cb 0.37 -2.52 0.02 0.00 -0.02 0.00 0.00 33.50 31.35 2pn8 n PRO 86 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2pn8 n TYR 87 N 1.35 2.28 -4.00 6.00 9.36 -1.26 -5.01 117.16 125.88 2pn8 n TYR 87 Ca 0.07 0.46 -0.08 0.00 3.32 0.00 0.00 57.90 61.67 2pn8 n TYR 87 Cb 0.35 -2.39 -0.10 0.00 -0.63 0.00 0.00 39.34 36.58 2pn8 n TYR 87 CO 0.00 0.00 0.00 1.67 0.22 0.00 0.00 176.86 178.75 2pn8 s TRP 88 N -1.23 0.34 -0.05 2.98 1.48 -1.26 -5.02 118.94 116.18 2pn8 s TRP 88 Ca 0.64 -0.75 -0.19 0.00 -1.06 0.00 0.00 56.10 54.75 2pn8 s TRP 88 Cb -0.46 -0.25 0.04 0.00 -1.16 0.00 0.00 33.47 31.63 2pn8 s TRP 88 CO 0.55 -0.34 0.41 -1.83 -4.06 0.00 0.00 176.95 171.68 2pn8 s GLU 89 N -2.97 0.73 0.00 3.25 -1.05 -1.26 -1.08 118.70 116.33 2pn8 s GLU 89 Ca -0.02 0.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.84 2pn8 s GLU 89 Cb 0.01 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 2pn8 s GLU 89 CO -0.06 -0.20 0.00 0.41 0.95 0.00 0.00 175.26 176.36 2pn8 n GLY 90 N 1.44 -1.21 3.69 -3.83 0.00 -0.54 -4.99 105.19 99.74 2pn8 n GLY 90 Ca -0.20 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 2pn8 n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pn8 s THR 91 N -2.69 5.10 0.20 2.61 2.01 -1.26 -0.88 115.64 120.72 2pn8 s THR 91 Ca 0.00 1.09 0.11 0.00 0.31 0.00 0.00 61.69 63.20 2pn8 s THR 91 Cb 0.00 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 2pn8 s THR 91 CO 0.00 0.21 -0.17 0.00 -0.69 0.00 0.00 174.62 173.97 2pn8 s ALA 92 N 1.30 2.73 -0.29 7.40 0.00 0.72 -0.84 121.76 132.78 2pn8 s ALA 92 Ca 0.28 -1.62 -0.16 0.00 0.00 0.00 0.00 51.96 50.46 2pn8 s ALA 92 Cb -0.16 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 2pn8 s ALA 92 CO 0.11 0.41 0.43 0.08 0.00 0.00 0.00 175.76 176.80 2pn8 s VAL 93 N -1.82 5.12 -0.07 0.00 1.01 -0.05 -0.48 120.40 124.11 2pn8 s VAL 93 Ca 0.24 0.51 -0.00 0.00 0.00 0.00 0.00 61.98 62.73 2pn8 s VAL 93 Cb -0.08 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.53 2pn8 s VAL 93 CO 0.13 0.03 -0.03 -0.63 0.00 0.00 0.00 175.10 174.60 2pn8 s ILE 94 N 2.18 0.52 -1.55 2.22 1.01 0.25 -2.04 121.20 123.79 2pn8 s ILE 94 Ca 0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.73 2pn8 s ILE 94 Cb -0.16 -0.61 0.05 0.00 0.01 0.00 0.00 42.46 41.75 2pn8 s ILE 94 CO 0.11 0.26 0.38 -0.67 0.00 0.00 0.00 174.94 175.02 2pn8 n ASP 95 N 4.71 -0.63 0.00 3.58 2.03 -1.26 -1.24 116.55 123.74 2pn8 n ASP 95 Ca -0.14 -1.12 0.00 0.00 0.52 0.00 0.00 54.79 54.05 2pn8 n ASP 95 Cb 0.50 -2.41 0.00 0.00 -0.72 0.00 0.00 41.12 38.50 2pn8 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pn8 n GLY 96 N -1.98 0.45 3.46 0.27 0.00 -1.26 -5.00 105.19 101.13 2pn8 n GLY 96 Ca -0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 2pn8 n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pn8 s GLU 97 N -0.57 1.64 -0.11 1.61 2.02 -0.37 -5.09 118.70 117.83 2pn8 s GLU 97 Ca 0.00 -1.72 -0.21 0.00 0.02 0.00 0.00 54.97 53.06 2pn8 s GLU 97 Cb 0.00 -1.77 -0.04 0.00 0.10 0.00 0.00 34.13 32.42 2pn8 s GLU 97 CO 0.00 0.34 0.62 -0.06 0.02 0.00 0.00 175.26 176.18 2pn8 s PHE 98 N -2.36 3.51 0.02 1.61 0.08 -1.26 -0.58 117.98 119.00 2pn8 s PHE 98 Ca 0.28 1.07 0.00 0.00 0.12 0.00 0.00 56.93 58.41 2pn8 s PHE 98 Cb -0.05 -2.73 -0.02 0.00 -0.57 0.00 0.00 43.02 39.65 2pn8 s PHE 98 CO 0.14 0.05 -0.04 0.15 -0.10 0.00 0.00 175.22 175.42 2pn8 s LYS 99 N 1.01 0.31 0.11 0.44 -0.14 0.36 -4.97 119.74 116.87 2pn8 s LYS 99 Ca 0.32 -0.53 -0.30 0.00 -1.36 0.00 0.00 55.97 54.10 2pn8 s LYS 99 Cb -0.16 0.00 -0.06 0.00 -1.68 0.00 0.00 37.83 35.93 2pn8 s LYS 99 CO 0.14 -0.02 1.01 -1.21 -0.76 0.00 0.00 175.35 174.52 2pn8 s GLU 100 N -1.22 4.64 -0.01 1.68 0.41 -1.26 -0.20 118.70 122.73 2pn8 s GLU 100 Ca -0.12 1.53 0.04 0.00 -0.41 0.00 0.00 54.97 56.01 2pn8 s GLU 100 Cb -0.08 -3.36 -0.01 0.00 -1.78 0.00 0.00 34.13 28.90 2pn8 s GLU 100 CO -0.01 0.11 -0.12 -1.17 -0.49 0.00 0.00 175.26 173.59 2pn8 s LEU 101 N 0.13 2.02 0.05 1.80 2.96 -0.06 -4.92 118.68 120.65 2pn8 s LEU 101 Ca 0.49 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 54.23 2pn8 s LEU 101 Cb -0.25 -0.61 -0.02 0.00 0.50 0.00 0.00 46.19 45.81 2pn8 s LEU 101 CO 0.31 0.14 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.82 2pn8 s LYS 102 N -0.26 0.75 0.26 1.98 1.02 -1.26 -1.47 119.74 120.76 2pn8 s LYS 102 Ca 0.04 -0.78 -0.03 0.00 0.02 0.00 0.00 55.97 55.23 2pn8 s LYS 102 Cb -0.05 -0.70 0.41 0.00 -0.52 0.00 0.00 37.83 36.98 2pn8 s LYS 102 CO -0.00 0.16 1.86 1.25 -0.92 0.00 0.00 175.35 177.69 2pn8 h LEU 103 N 4.70 0.92 -1.36 3.17 5.85 -1.50 -1.63 115.31 125.47 2pn8 h LEU 103 Ca -0.38 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2pn8 h LEU 103 Cb 1.19 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2pn8 h LEU 103 CO 0.42 0.57 0.00 0.71 -0.34 0.00 0.00 178.44 179.80 2pn8 h THR 104 N 1.05 0.00 0.00 1.05 1.35 -1.96 -1.57 112.91 112.82 2pn8 h THR 104 Ca 0.42 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 2pn8 h THR 104 Cb 0.24 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 2pn8 h THR 104 CO -0.20 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 175.51 2pn8 h ASP 105 N 0.00 0.00 -0.08 5.36 3.32 -1.69 -2.76 116.42 120.57 2pn8 h ASP 105 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pn8 h ASP 105 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2pn8 h ASP 105 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 2pn8 n TYR 106 N -3.04 0.07 -1.64 4.55 4.01 -0.59 -4.98 117.16 115.53 2pn8 n TYR 106 Ca -0.02 -0.04 -0.42 0.00 -0.16 0.00 0.00 57.90 57.26 2pn8 n TYR 106 Cb 0.10 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.13 2pn8 n TYR 106 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2pn8 n ARG 107 N 1.27 1.65 0.00 -0.72 5.12 -1.04 -1.43 116.66 121.51 2pn8 n ARG 107 Ca 0.14 0.58 0.00 0.00 -1.93 0.00 0.00 57.85 56.64 2pn8 n ARG 107 Cb 0.56 -2.12 0.00 0.00 -1.16 0.00 0.00 32.46 29.74 2pn8 n ARG 107 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pn8 n GLY 108 N 1.03 1.38 3.15 -0.13 0.00 0.17 -5.04 105.19 105.75 2pn8 n GLY 108 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 2pn8 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pn8 s LYS 109 N -0.61 0.77 0.48 1.61 1.02 -0.51 -4.85 119.74 117.65 2pn8 s LYS 109 Ca 0.00 -0.99 -0.23 0.00 0.02 0.00 0.00 55.97 54.77 2pn8 s LYS 109 Cb 0.00 -0.62 -0.07 0.00 -0.52 0.00 0.00 37.83 36.62 2pn8 s LYS 109 CO 0.00 0.12 1.25 0.71 -0.92 0.00 0.00 175.35 176.51 2pn8 s TYR 110 N -1.70 2.67 -0.08 3.18 1.51 -0.72 -3.25 117.35 118.95 2pn8 s TYR 110 Ca -0.01 1.46 0.01 0.00 -1.01 0.00 0.00 57.07 57.53 2pn8 s TYR 110 Cb -0.08 -3.56 0.02 0.00 -0.11 0.00 0.00 41.96 38.23 2pn8 s TYR 110 CO 0.01 -2.05 -0.09 -1.17 -1.11 0.00 0.00 175.55 171.14 2pn8 s LEU 111 N -3.10 1.41 -0.45 -1.29 2.96 0.48 -0.92 118.68 117.77 2pn8 s LEU 111 Ca 0.65 -0.27 -0.19 0.00 -0.22 0.00 0.00 54.13 54.11 2pn8 s LEU 111 Cb -0.34 -0.76 0.03 0.00 0.50 0.00 0.00 46.19 45.62 2pn8 s LEU 111 CO 0.41 -0.04 0.55 -0.69 -1.32 0.00 0.00 176.35 175.26 2pn8 s VAL 112 N 1.09 4.96 -0.28 1.68 1.01 0.43 -0.91 120.40 128.39 2pn8 s VAL 112 Ca -0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 2pn8 s VAL 112 Cb -0.14 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.10 2pn8 s VAL 112 CO -0.01 -0.57 0.01 0.12 0.00 0.00 0.00 175.10 174.65 2pn8 s PHE 113 N 2.46 3.13 0.01 5.22 5.36 0.02 -1.24 117.98 132.94 2pn8 s PHE 113 Ca 0.16 -1.32 0.05 0.00 -0.96 0.00 0.00 56.93 54.86 2pn8 s PHE 113 Cb -0.17 -2.16 -0.02 0.00 -0.34 0.00 0.00 43.02 40.34 2pn8 s PHE 113 CO 0.15 -0.67 -0.15 -0.59 -1.46 0.00 0.00 175.22 172.51 2pn8 s PHE 114 N 1.40 1.30 -0.01 10.12 -0.71 -0.45 -0.31 117.98 129.32 2pn8 s PHE 114 Ca 0.01 -0.29 -0.03 0.00 -1.04 0.00 0.00 56.93 55.58 2pn8 s PHE 114 Cb -0.17 -0.81 -0.04 0.00 -1.21 0.00 0.00 43.02 40.79 2pn8 s PHE 114 CO -0.01 0.01 0.17 -0.06 -1.34 0.00 0.00 175.22 173.99 2pn8 s PHE 115 N -0.56 3.53 0.06 3.49 0.40 0.10 -0.49 117.98 124.52 2pn8 s PHE 115 Ca 0.04 0.35 0.05 0.00 -0.60 0.00 0.00 56.93 56.77 2pn8 s PHE 115 Cb -0.07 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 2pn8 s PHE 115 CO 0.00 0.64 -0.14 1.52 0.70 0.00 0.00 175.22 177.95 2pn8 s TYR 116 N -1.31 1.17 0.04 0.36 1.13 -0.07 -3.21 117.35 115.46 2pn8 s TYR 116 Ca 0.27 -0.44 -0.11 0.00 -1.41 0.00 0.00 57.07 55.37 2pn8 s TYR 116 Cb -0.13 -0.67 -0.04 0.00 -1.10 0.00 0.00 41.96 40.03 2pn8 s TYR 116 CO 0.18 0.04 1.18 -1.35 -2.51 0.00 0.00 175.55 173.10 2pn8 h PRO 117 N 4.41 -0.14 -2.34 -3.49 0.11 -1.75 -3.38 132.00 125.41 2pn8 h PRO 117 Ca -0.40 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 2pn8 h PRO 117 Cb 1.19 0.03 -0.23 0.00 0.11 0.00 0.00 31.00 32.11 2pn8 h PRO 117 CO 0.41 -0.09 -0.05 -0.51 -0.21 0.00 0.00 178.00 177.54 2pn8 s LEU 118 N -7.02 -0.24 0.66 2.35 1.43 -1.26 -4.33 118.68 110.27 2pn8 s LEU 118 Ca -0.05 1.17 -0.18 0.00 -1.03 0.00 0.00 54.13 54.04 2pn8 s LEU 118 Cb 0.03 1.96 -0.00 0.00 0.03 0.00 0.00 46.19 48.21 2pn8 s LEU 118 CO 0.20 -0.20 1.28 -1.81 0.23 0.00 0.00 176.35 176.05 2pn8 s ASP 119 N 0.47 4.54 -1.36 2.29 1.11 -1.26 -3.21 116.67 119.26 2pn8 s ASP 119 Ca -0.01 2.59 0.00 0.00 0.18 0.00 0.00 52.55 55.31 2pn8 s ASP 119 Cb -0.04 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.33 2pn8 s ASP 119 CO -0.02 -2.04 0.00 0.49 1.18 0.00 0.00 175.17 174.78 2pn8 n PHE 120 N -2.01 -0.54 -1.06 4.23 3.72 -1.26 -5.00 117.46 115.54 2pn8 n PHE 120 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 2pn8 n PHE 120 Cb 0.48 -3.02 0.00 0.00 -0.94 0.00 0.00 39.48 36.01 2pn8 n PHE 120 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2pn8 n THR 121 N -3.66 0.00 0.01 4.37 -2.24 -1.20 -5.12 114.28 106.44 2pn8 n THR 121 Ca -0.17 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2pn8 n THR 121 Cb 0.60 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2pn8 n THR 121 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2pn8 n PHE 122 N 0.00 0.00 -0.06 4.78 3.72 -1.26 -4.59 117.46 120.05 2pn8 n PHE 122 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 2pn8 n PHE 122 Cb 0.00 -0.02 0.03 0.00 -0.94 0.00 0.00 39.48 38.56 2pn8 n PHE 122 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2pn8 h VAL 123 N -0.03 1.29 -0.55 -4.37 2.07 -1.96 -3.35 116.25 109.36 2pn8 h VAL 123 Ca 0.00 -1.63 0.10 0.00 0.82 0.00 0.00 66.70 65.99 2pn8 h VAL 123 Cb 0.03 1.54 -0.11 0.00 -1.52 0.00 0.00 31.29 31.23 2pn8 h VAL 123 CO 0.00 0.53 -0.32 0.00 0.02 0.00 0.00 177.57 177.80 2pn8 h PRO 125 N -0.17 0.75 -0.57 0.00 0.13 -1.81 -1.84 132.00 128.49 2pn8 h PRO 125 Ca 0.22 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 65.25 2pn8 h PRO 125 Cb 0.54 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 31.48 2pn8 h PRO 125 CO -0.64 0.53 0.16 1.79 -0.23 0.00 0.00 178.00 179.61 2pn8 h THR 126 N 0.77 1.22 -0.12 1.56 1.35 -1.29 -0.57 112.91 115.83 2pn8 h THR 126 Ca 0.20 -0.78 -0.09 0.00 -0.55 0.00 0.00 66.41 65.19 2pn8 h THR 126 Cb -0.03 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 67.01 2pn8 h THR 126 CO -0.04 0.30 -0.26 -0.33 -0.25 0.00 0.00 175.52 174.94 2pn8 h GLU 127 N 0.83 0.38 -0.43 4.72 5.08 -0.89 -1.11 114.58 123.16 2pn8 h GLU 127 Ca 0.19 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2pn8 h GLU 127 Cb 0.26 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2pn8 h GLU 127 CO -0.01 0.86 0.24 0.82 -1.00 0.00 0.00 179.01 179.93 2pn8 h ILE 128 N -0.04 1.15 -0.57 3.13 2.04 -1.21 -2.01 117.51 119.99 2pn8 h ILE 128 Ca -0.00 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.36 2pn8 h ILE 128 Cb 0.86 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2pn8 h ILE 128 CO 0.06 0.16 -0.06 0.40 0.00 0.00 0.00 178.15 178.71 2pn8 h ILE 129 N 0.57 1.27 -0.24 -0.67 2.04 -1.16 0.46 117.51 119.77 2pn8 h ILE 129 Ca 0.15 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 2pn8 h ILE 129 Cb 0.04 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2pn8 h ILE 129 CO -0.03 0.44 0.14 0.00 0.00 0.00 0.00 178.15 178.70 2pn8 h ALA 130 N 0.95 0.30 0.03 1.87 0.00 -0.94 0.80 119.26 122.28 2pn8 h ALA 130 Ca 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2pn8 h ALA 130 Cb 0.63 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2pn8 h ALA 130 CO 0.04 -0.19 -0.01 0.74 0.00 0.00 0.00 179.25 179.82 2pn8 h PHE 131 N 0.30 -0.04 -0.57 0.00 0.04 -1.31 -2.97 116.94 112.38 2pn8 h PHE 131 Ca 0.09 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.89 2pn8 h PHE 131 Cb 0.02 0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.14 2pn8 h PHE 131 CO -0.05 0.21 0.34 0.78 -0.60 0.00 0.00 178.31 178.99 2pn8 h GLY 132 N -0.28 0.81 2.00 -1.45 0.00 -0.70 -0.96 103.07 102.49 2pn8 h GLY 132 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2pn8 h GLY 132 CO 0.01 0.20 0.00 -0.55 0.00 0.00 0.00 176.54 176.20 2pn8 h ASP 133 N 0.66 0.00 -0.24 0.19 3.32 -0.92 -2.69 116.42 116.74 2pn8 h ASP 133 Ca 0.23 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 2pn8 h ASP 133 Cb 0.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2pn8 h ASP 133 CO -0.11 0.00 -0.01 0.54 -1.72 0.00 0.00 179.24 177.94 2pn8 n ARG 134 N -2.97 2.54 -0.11 3.56 1.74 -0.72 -4.79 116.66 115.91 2pn8 n ARG 134 Ca 0.00 -2.86 0.12 0.00 -0.77 0.00 0.00 57.85 54.34 2pn8 n ARG 134 Cb 0.27 -1.80 0.49 0.00 -1.02 0.00 0.00 32.46 30.40 2pn8 n ARG 134 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2pn8 h LEU 135 N 1.45 0.39 -1.78 0.55 5.85 -0.85 -0.96 115.31 119.95 2pn8 h LEU 135 Ca 0.04 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2pn8 h LEU 135 Cb 1.43 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 2pn8 h LEU 135 CO 0.22 0.23 -0.14 -0.33 -0.34 0.00 0.00 178.44 178.08 2pn8 h GLU 136 N 0.43 0.00 0.00 1.25 4.39 -1.87 0.77 114.58 119.56 2pn8 h GLU 136 Ca 0.30 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.98 2pn8 h GLU 136 Cb 0.60 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2pn8 h GLU 136 CO -0.09 0.14 -0.08 0.93 -1.16 0.00 0.00 179.01 178.75 2pn8 h GLU 137 N 0.00 0.00 0.01 2.33 5.08 -1.56 -0.54 114.58 119.89 2pn8 h GLU 137 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 2pn8 h GLU 137 Cb 0.40 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2pn8 h GLU 137 CO 0.02 0.08 -1.54 1.19 -1.00 0.00 0.00 179.01 177.75 2pn8 n PHE 138 N -3.37 0.85 -0.02 4.33 3.72 -0.50 -4.36 117.46 118.12 2pn8 n PHE 138 Ca -0.01 0.35 0.07 0.00 -0.05 0.00 0.00 57.45 57.81 2pn8 n PHE 138 Cb 0.25 -1.09 0.46 0.00 -0.94 0.00 0.00 39.48 38.16 2pn8 n PHE 138 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2pn8 h ARG 139 N -0.92 0.46 0.00 -1.08 3.08 -0.54 -0.07 114.38 115.31 2pn8 h ARG 139 Ca -0.42 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2pn8 h ARG 139 Cb 1.41 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2pn8 h ARG 139 CO -0.23 0.30 0.00 -1.13 -1.07 0.00 0.00 179.97 177.85 2pn8 n SER 140 N -4.48 0.16 -2.11 7.04 3.41 -0.22 -2.31 113.62 115.12 2pn8 n SER 140 Ca 0.06 0.53 -0.23 0.00 -0.26 0.00 0.00 58.87 58.97 2pn8 n SER 140 Cb 0.19 -0.57 0.02 0.00 -0.26 0.00 0.00 64.21 63.59 2pn8 n SER 140 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2pn8 n ILE 141 N -1.67 2.43 -3.56 -1.33 -5.35 -0.13 -4.98 119.36 104.77 2pn8 n ILE 141 Ca 0.04 -4.17 -0.26 0.00 -0.27 0.00 0.00 62.75 58.09 2pn8 n ILE 141 Cb 0.23 -0.98 0.03 0.00 -1.74 0.00 0.00 39.64 37.19 2pn8 n ILE 141 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2pn8 n ASN 142 N -0.69 -5.19 -4.08 7.28 5.15 -0.98 -4.86 115.26 111.90 2pn8 n ASN 142 Ca 0.41 -0.55 -0.23 0.00 -0.60 0.00 0.00 54.58 53.60 2pn8 n ASN 142 Cb 0.94 -4.16 -0.16 0.00 -0.53 0.00 0.00 39.78 35.87 2pn8 n ASN 142 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2pn8 s THR 143 N -3.20 1.14 0.36 -0.44 2.01 -0.64 -1.76 115.64 113.11 2pn8 s THR 143 Ca 0.52 -0.56 0.08 0.00 0.31 0.00 0.00 61.69 62.04 2pn8 s THR 143 Cb -0.25 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 2pn8 s THR 143 CO 0.65 0.34 0.21 -1.61 -0.69 0.00 0.00 174.62 173.52 2pn8 s GLU 144 N 0.06 2.46 -0.05 4.92 0.41 -0.10 -2.41 118.70 123.98 2pn8 s GLU 144 Ca -0.02 -1.52 0.02 0.00 -0.41 0.00 0.00 54.97 53.03 2pn8 s GLU 144 Cb -0.10 -2.25 0.01 0.00 -1.78 0.00 0.00 34.13 30.02 2pn8 s GLU 144 CO 0.01 0.04 -0.09 0.08 -0.49 0.00 0.00 175.26 174.80 2pn8 s VAL 145 N -2.43 0.89 -0.03 2.63 1.01 -1.26 -0.43 120.40 120.79 2pn8 s VAL 145 Ca 0.40 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.06 2pn8 s VAL 145 Cb -0.03 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.53 2pn8 s VAL 145 CO 0.24 0.29 -0.11 -0.69 0.00 0.00 0.00 175.10 174.84 2pn8 s VAL 146 N 0.62 0.91 0.09 2.92 1.01 -0.38 -4.14 120.40 121.43 2pn8 s VAL 146 Ca -0.11 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.50 2pn8 s VAL 146 Cb -0.14 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2pn8 s VAL 146 CO 0.02 0.28 -0.06 0.00 0.00 0.00 0.00 175.10 175.34 2pn8 s ALA 147 N 0.16 3.10 -0.04 5.51 0.00 -0.71 -1.35 121.76 128.44 2pn8 s ALA 147 Ca -0.03 -1.18 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 2pn8 s ALA 147 Cb -0.09 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 22.02 2pn8 s ALA 147 CO 0.01 0.67 0.08 0.00 0.00 0.00 0.00 175.76 176.52 2pn8 s SER 149 N 0.50 1.23 0.00 0.00 1.04 -1.04 -0.89 113.70 114.54 2pn8 s SER 149 Ca -0.04 -1.54 0.20 0.00 0.48 0.00 0.00 55.95 55.05 2pn8 s SER 149 Cb -0.05 0.40 0.91 0.00 0.10 0.00 0.00 66.02 67.38 2pn8 s SER 149 CO -0.02 -0.90 1.65 1.33 0.98 0.00 0.00 173.24 176.28 2pn8 n VAL 150 N -0.51 0.54 -1.21 5.02 0.24 -1.26 -0.64 118.33 120.50 2pn8 n VAL 150 Ca 0.02 0.14 -0.32 0.00 -2.04 0.00 0.00 64.34 62.14 2pn8 n VAL 150 Cb 0.65 -0.79 0.10 0.00 -1.47 0.00 0.00 33.84 32.33 2pn8 n VAL 150 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2pn8 s ASP 151 N -2.88 4.16 0.75 -1.34 1.01 -1.26 -3.35 116.67 113.76 2pn8 s ASP 151 Ca 0.13 2.00 -0.11 0.00 0.71 0.00 0.00 52.55 55.27 2pn8 s ASP 151 Cb 0.13 -2.54 0.04 0.00 1.01 0.00 0.00 42.92 41.56 2pn8 s ASP 151 CO 0.35 -2.27 1.08 -0.94 0.21 0.00 0.00 175.17 173.60 2pn8 s SER 152 N -2.95 4.89 0.46 0.27 1.04 -1.26 -3.82 113.70 112.34 2pn8 s SER 152 Ca 0.65 1.56 0.14 0.00 0.48 0.00 0.00 55.95 58.78 2pn8 s SER 152 Cb -0.20 -2.36 1.06 0.00 0.10 0.00 0.00 66.02 64.63 2pn8 s SER 152 CO 0.53 -1.75 2.04 0.06 0.98 0.00 0.00 173.24 175.10 2pn8 h GLN 153 N -0.93 0.02 -0.52 4.02 -0.00 -1.94 -1.37 115.11 114.39 2pn8 h GLN 153 Ca -0.45 -0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.09 2pn8 h GLN 153 Cb 1.23 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.69 2pn8 h GLN 153 CO 0.56 0.14 -0.10 0.74 -0.00 0.00 0.00 178.83 180.18 2pn8 h PHE 154 N 0.02 1.11 -0.38 0.06 0.04 -1.99 -1.51 116.94 114.29 2pn8 h PHE 154 Ca 0.00 -0.23 -0.10 0.00 2.80 0.00 0.00 57.97 60.44 2pn8 h PHE 154 Cb 0.22 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 2pn8 h PHE 154 CO 0.00 1.04 -0.16 1.15 -0.60 0.00 0.00 178.31 179.74 2pn8 h THR 155 N 0.86 1.28 -0.37 -1.55 2.02 -1.86 -1.28 112.91 112.01 2pn8 h THR 155 Ca 0.14 -1.28 0.07 0.00 0.77 0.00 0.00 66.41 66.10 2pn8 h THR 155 Cb 0.66 1.30 -0.06 0.00 -1.74 0.00 0.00 68.15 68.31 2pn8 h THR 155 CO 0.05 0.43 -0.02 0.45 0.37 0.00 0.00 175.52 176.80 2pn8 h HIS 156 N 0.59 -0.05 -0.57 3.16 3.86 -1.13 -0.09 115.15 120.92 2pn8 h HIS 156 Ca 0.09 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 2pn8 h HIS 156 Cb 0.71 0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.23 2pn8 h HIS 156 CO 0.06 -0.09 -0.04 1.25 0.86 0.00 0.00 177.93 179.97 2pn8 h LEU 157 N 0.08 1.02 -1.41 2.43 5.85 -1.21 -0.46 115.31 121.62 2pn8 h LEU 157 Ca 0.18 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.61 2pn8 h LEU 157 Cb 0.26 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2pn8 h LEU 157 CO -0.32 1.10 0.43 0.00 -0.34 0.00 0.00 178.44 179.31 2pn8 h ALA 158 N 0.96 1.63 -0.12 1.25 0.00 -0.86 0.16 119.26 122.27 2pn8 h ALA 158 Ca 0.16 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.81 2pn8 h ALA 158 Cb 0.60 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2pn8 h ALA 158 CO 0.04 0.31 -0.82 2.35 0.00 0.00 0.00 179.25 181.13 2pn8 h TRP 159 N 0.78 0.99 -0.88 0.00 7.01 -0.60 -2.67 115.95 120.59 2pn8 h TRP 159 Ca 0.25 -0.46 0.00 0.00 2.11 0.00 0.00 58.89 60.80 2pn8 h TRP 159 Cb 0.05 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 26.92 2pn8 h TRP 159 CO -0.00 1.28 0.57 0.82 -2.79 0.00 0.00 178.44 178.32 2pn8 h ILE 160 N 0.48 1.23 -0.08 2.65 2.04 -0.79 -2.09 117.51 120.95 2pn8 h ILE 160 Ca -0.06 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2pn8 h ILE 160 Cb 1.44 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2pn8 h ILE 160 CO 0.16 0.23 0.00 0.59 0.00 0.00 0.00 178.15 179.13 2pn8 n ASN 161 N -4.39 0.44 -4.67 1.72 3.02 0.02 -2.73 115.26 108.66 2pn8 n ASN 161 Ca 0.10 -1.98 -0.35 0.00 -0.03 0.00 0.00 54.58 52.32 2pn8 n ASN 161 Cb 0.03 -0.05 -0.09 0.00 -0.61 0.00 0.00 39.78 39.06 2pn8 n ASN 161 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2pn8 s THR 162 N -1.89 4.90 0.55 3.41 2.01 -0.84 -5.00 115.64 118.78 2pn8 s THR 162 Ca 0.06 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.85 2pn8 s THR 162 Cb 0.03 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.30 2pn8 s THR 162 CO 0.05 0.48 1.37 -2.65 -0.69 0.00 0.00 174.62 173.18 2pn8 n PRO 163 N 3.29 1.69 -0.11 4.92 -0.02 -1.26 -2.01 135.00 141.50 2pn8 n PRO 163 Ca -0.17 0.62 0.09 0.00 -2.02 0.00 0.00 63.50 62.02 2pn8 n PRO 163 Cb 0.52 -2.59 0.44 0.00 -0.02 0.00 0.00 33.50 31.85 2pn8 n PRO 163 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pn8 h ARG 164 N 1.40 0.53 0.00 -0.52 3.08 -1.85 -0.80 114.38 116.22 2pn8 h ARG 164 Ca -0.51 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2pn8 h ARG 164 Cb 1.30 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2pn8 h ARG 164 CO 0.57 0.35 0.00 0.54 -1.07 0.00 0.00 179.97 180.36 2pn8 n ARG 165 N -4.48 0.11 -0.51 0.04 1.74 -1.26 -1.37 116.66 110.93 2pn8 n ARG 165 Ca 0.09 0.41 0.08 0.00 -0.77 0.00 0.00 57.85 57.67 2pn8 n ARG 165 Cb 0.28 -1.74 0.29 0.00 -1.02 0.00 0.00 32.46 30.27 2pn8 n ARG 165 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2pn8 n GLN 166 N -1.94 3.44 -0.98 5.56 6.02 -0.48 -4.92 117.38 124.08 2pn8 n GLN 166 Ca 0.02 -2.75 0.00 0.00 -0.01 0.00 0.00 57.00 54.26 2pn8 n GLN 166 Cb 0.16 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.61 2pn8 n GLN 166 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pn8 n GLY 167 N 0.33 0.44 3.97 1.08 0.00 -0.47 -4.94 105.19 105.59 2pn8 n GLY 167 Ca 0.22 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 2pn8 n GLY 167 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pn8 s GLY 168 N -2.56 1.79 -0.05 -0.02 0.00 -0.43 -4.77 107.32 101.28 2pn8 s GLY 168 Ca 0.00 -1.57 0.17 0.00 0.00 0.00 0.00 44.72 43.32 2pn8 s GLY 168 CO 0.00 -0.82 0.54 1.04 0.00 0.00 0.00 173.10 173.86 2pn8 n LEU 169 N -3.45 0.54 0.00 0.66 4.77 -0.86 -4.08 117.00 114.58 2pn8 n LEU 169 Ca 0.17 0.24 0.05 0.00 -0.03 0.00 0.00 56.01 56.45 2pn8 n LEU 169 Cb 0.60 0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.89 2pn8 n LEU 169 CO 0.42 0.29 -0.07 0.61 -1.33 0.00 0.00 177.39 177.31 2pn8 n GLY 170 N 1.52 -1.30 3.76 -0.72 0.00 -0.85 -4.74 105.19 102.87 2pn8 n GLY 170 Ca -0.17 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 2pn8 n GLY 170 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2pn8 n PRO 171 N -2.46 2.33 -3.87 1.61 -0.02 -1.25 -4.60 135.00 126.74 2pn8 n PRO 171 Ca 0.00 0.83 -0.12 0.00 -2.02 0.00 0.00 63.50 62.20 2pn8 n PRO 171 Cb 0.18 -2.63 -0.12 0.00 -0.02 0.00 0.00 33.50 30.91 2pn8 n PRO 171 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2pn8 s ILE 172 N -1.17 0.03 -2.05 4.25 1.10 -1.26 -5.06 121.20 117.03 2pn8 s ILE 172 Ca 0.59 -0.25 0.17 0.00 -0.51 0.00 0.00 60.65 60.65 2pn8 s ILE 172 Cb -0.46 -0.18 0.16 0.00 0.15 0.00 0.00 42.46 42.14 2pn8 s ILE 172 CO 0.59 -0.14 1.07 0.54 -2.11 0.00 0.00 174.94 174.89 2pn8 n ARG 173 N 2.58 1.48 -3.66 3.50 1.74 -1.26 -4.58 116.66 116.46 2pn8 n ARG 173 Ca -0.16 -1.58 -0.37 0.00 -0.77 0.00 0.00 57.85 54.98 2pn8 n ARG 173 Cb 0.58 -1.33 -0.07 0.00 -1.02 0.00 0.00 32.46 30.62 2pn8 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2pn8 s ILE 174 N -1.37 5.33 0.42 0.55 1.01 -1.26 -4.96 121.20 120.92 2pn8 s ILE 174 Ca 0.21 0.44 -0.26 0.00 0.00 0.00 0.00 60.65 61.04 2pn8 s ILE 174 Cb 0.14 -3.55 -0.09 0.00 0.01 0.00 0.00 42.46 38.97 2pn8 s ILE 174 CO 0.21 0.50 1.45 -2.84 0.00 0.00 0.00 174.94 174.26 2pn8 s PRO 175 N -0.25 3.84 -0.38 2.79 0.02 -1.26 -4.88 135.00 134.87 2pn8 s PRO 175 Ca 0.16 2.47 -0.06 0.00 0.02 0.00 0.00 61.00 63.60 2pn8 s PRO 175 Cb -0.13 -2.77 0.08 0.00 0.02 0.00 0.00 34.50 31.70 2pn8 s PRO 175 CO 0.05 -0.72 0.17 -0.51 -0.33 0.00 0.00 177.00 175.66 2pn8 s LEU 176 N -2.50 4.82 0.13 -5.54 1.43 -0.87 -1.73 118.68 114.42 2pn8 s LEU 176 Ca 0.58 -1.56 -0.26 0.00 -1.03 0.00 0.00 54.13 51.86 2pn8 s LEU 176 Cb -0.45 -1.87 -0.07 0.00 0.03 0.00 0.00 46.19 43.83 2pn8 s LEU 176 CO 0.59 -0.46 0.80 -0.22 0.23 0.00 0.00 176.35 177.30 2pn8 s LEU 177 N 1.31 4.55 -0.16 1.79 2.96 0.95 -0.87 118.68 129.21 2pn8 s LEU 177 Ca 0.02 1.63 -0.10 0.00 -0.22 0.00 0.00 54.13 55.46 2pn8 s LEU 177 Cb -0.22 -3.33 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 2pn8 s LEU 177 CO -0.00 0.12 0.17 -0.55 -1.32 0.00 0.00 176.35 174.77 2pn8 s SER 178 N -0.72 6.33 -0.49 3.68 0.15 -0.02 -2.50 113.70 120.13 2pn8 s SER 178 Ca 0.38 0.38 0.07 0.00 0.70 0.00 0.00 55.95 57.48 2pn8 s SER 178 Cb -0.23 -2.10 0.37 0.00 -1.71 0.00 0.00 66.02 62.35 2pn8 s SER 178 CO 0.26 0.25 0.95 -0.67 1.20 0.00 0.00 173.24 175.24 2pn8 n ASP 179 N 2.93 3.67 -0.36 5.45 2.03 0.18 -4.37 116.55 126.08 2pn8 n ASP 179 Ca -0.17 -3.50 0.06 0.00 0.52 0.00 0.00 54.79 51.70 2pn8 n ASP 179 Cb 0.53 -0.54 0.23 0.00 -0.72 0.00 0.00 41.12 40.62 2pn8 n ASP 179 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2pn8 h LEU 180 N 2.89 0.95 -0.64 -2.67 3.38 -1.76 -1.29 115.31 116.17 2pn8 h LEU 180 Ca 0.15 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2pn8 h LEU 180 Cb 0.73 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2pn8 h LEU 180 CO 0.75 0.53 0.00 0.71 0.09 0.00 0.00 178.44 180.51 2pn8 h THR 181 N 1.03 0.00 0.00 0.22 1.35 -1.91 -3.47 112.91 110.13 2pn8 h THR 181 Ca 0.48 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 2pn8 h THR 181 Cb 0.42 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 2pn8 h THR 181 CO -0.24 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.44 2pn8 n HIS 182 N -2.65 0.00 -0.21 4.73 8.25 -0.49 -4.91 115.22 119.94 2pn8 n HIS 182 Ca 0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.44 2pn8 n HIS 182 Cb 0.35 -0.23 0.12 0.00 1.12 0.00 0.00 29.99 31.36 2pn8 n HIS 182 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2pn8 h GLN 183 N 2.46 1.02 -0.23 -0.41 5.75 -1.91 -1.25 115.11 120.54 2pn8 h GLN 183 Ca 0.00 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.24 2pn8 h GLN 183 Cb 0.01 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 2pn8 h GLN 183 CO 0.00 0.87 -0.07 0.82 -2.65 0.00 0.00 178.83 177.80 2pn8 h ILE 184 N 0.99 1.29 -0.55 2.39 2.04 -1.91 0.03 117.51 121.79 2pn8 h ILE 184 Ca 0.22 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 64.99 2pn8 h ILE 184 Cb 0.27 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 2pn8 h ILE 184 CO -0.01 0.34 0.36 0.28 0.00 0.00 0.00 178.15 179.12 2pn8 h SER 185 N 0.19 0.62 -0.53 1.72 0.02 -1.89 -1.67 113.55 112.00 2pn8 h SER 185 Ca 0.06 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 2pn8 h SER 185 Cb 0.55 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2pn8 h SER 185 CO 0.03 0.45 -0.12 0.11 -1.14 0.00 0.00 176.83 176.16 2pn8 h LYS 186 N 0.74 1.03 0.00 3.45 1.57 -1.11 -1.33 116.57 120.92 2pn8 h LYS 186 Ca 0.20 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2pn8 h LYS 186 Cb -0.08 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 2pn8 h LYS 186 CO -0.05 1.07 -0.03 -0.44 -0.57 0.00 0.00 179.45 179.44 2pn8 h ASP 187 N 0.91 0.00 -0.01 0.86 3.32 -0.56 -1.71 116.42 119.24 2pn8 h ASP 187 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2pn8 h ASP 187 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 2pn8 h ASP 187 CO 0.05 0.03 -0.07 -1.22 -1.72 0.00 0.00 179.24 176.30 2pn8 n TYR 188 N -4.14 0.00 -2.25 4.55 4.02 -0.67 -4.85 117.16 113.83 2pn8 n TYR 188 Ca -0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.71 2pn8 n TYR 188 Cb 0.11 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.41 2pn8 n TYR 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pn8 n GLY 189 N 1.31 -0.17 0.29 2.72 0.00 -0.60 -4.91 105.19 103.83 2pn8 n GLY 189 Ca 0.15 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.95 2pn8 n GLY 189 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pn8 n VAL 190 N -3.94 0.26 -2.60 1.61 0.24 -0.60 -5.01 118.33 108.28 2pn8 n VAL 190 Ca -0.18 -0.63 -0.42 0.00 -2.04 0.00 0.00 64.34 61.07 2pn8 n VAL 190 Cb 0.63 0.97 -0.03 0.00 -1.47 0.00 0.00 33.84 33.94 2pn8 n VAL 190 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2pn8 s TYR 191 N -0.66 3.59 -0.46 6.34 5.04 -1.21 -1.80 117.35 128.20 2pn8 s TYR 191 Ca 0.09 1.57 -0.17 0.00 -2.44 0.00 0.00 57.07 56.11 2pn8 s TYR 191 Cb 0.06 -3.23 0.04 0.00 0.35 0.00 0.00 41.96 39.18 2pn8 s TYR 191 CO 0.08 -0.46 0.48 -0.51 -1.34 0.00 0.00 175.55 173.80 2pn8 s LEU 192 N 0.84 5.07 0.44 6.97 1.43 -0.27 -4.94 118.68 128.23 2pn8 s LEU 192 Ca 0.54 -0.90 0.10 0.00 -1.03 0.00 0.00 54.13 52.84 2pn8 s LEU 192 Cb -0.25 -2.35 0.99 0.00 0.03 0.00 0.00 46.19 44.61 2pn8 s LEU 192 CO 0.29 -0.68 2.08 -0.33 0.23 0.00 0.00 176.35 177.94 2pn8 h GLU 193 N 8.81 0.38 0.00 1.70 4.39 -1.95 -0.25 114.58 127.65 2pn8 h GLU 193 Ca -0.27 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.35 2pn8 h GLU 193 Cb 1.11 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 2pn8 h GLU 193 CO 0.86 0.25 -0.28 0.38 -1.16 0.00 0.00 179.01 179.06 2pn8 h ASP 194 N 0.39 0.00 0.00 1.42 2.03 -1.95 -3.36 116.42 114.95 2pn8 h ASP 194 Ca 0.12 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.25 2pn8 h ASP 194 Cb 0.01 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.48 2pn8 h ASP 194 CO -0.03 0.28 -1.89 -1.20 -1.03 0.00 0.00 179.24 175.37 2pn8 n SER 195 N -3.18 1.48 -0.68 4.15 7.64 -0.85 -5.02 113.62 117.16 2pn8 n SER 195 Ca 0.03 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.84 2pn8 n SER 195 Cb 0.63 1.14 -0.01 0.00 -1.01 0.00 0.00 64.21 64.96 2pn8 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pn8 n GLY 196 N 1.95 0.43 3.64 0.23 0.00 -0.16 -5.03 105.19 106.25 2pn8 n GLY 196 Ca -0.16 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 2pn8 n GLY 196 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2pn8 s HIS 197 N -2.31 0.51 0.59 1.61 -3.43 -1.25 -4.95 115.29 106.06 2pn8 s HIS 197 Ca 0.00 -0.92 -0.07 0.00 -0.80 0.00 0.00 55.06 53.27 2pn8 s HIS 197 Cb 0.00 0.31 -0.00 0.00 -1.43 0.00 0.00 32.58 31.46 2pn8 s HIS 197 CO 0.00 -1.23 0.92 0.95 -2.00 0.00 0.00 174.74 173.38 2pn8 s THR 198 N -3.17 3.88 0.55 -5.38 -4.23 -1.26 -1.11 115.64 104.92 2pn8 s THR 198 Ca 0.23 0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 60.79 2pn8 s THR 198 Cb -0.02 -3.54 0.12 0.00 1.34 0.00 0.00 72.50 70.40 2pn8 s THR 198 CO 0.14 -0.58 0.75 0.00 -0.54 0.00 0.00 174.62 174.39 2pn8 n LEU 199 N -2.60 0.00 -4.48 4.79 -0.00 -0.74 -3.92 117.00 110.05 2pn8 n LEU 199 Ca 0.04 -0.91 -0.44 0.00 -0.00 0.00 0.00 56.01 54.71 2pn8 n LEU 199 Cb 0.57 -0.56 -0.01 0.00 -0.00 0.00 0.00 43.42 43.42 2pn8 n LEU 199 CO 0.54 -1.02 1.36 -0.13 -0.00 0.00 0.00 177.39 178.14 2pn8 s ARG 200 N -4.60 3.95 -0.26 1.47 0.52 -0.94 -4.30 118.95 114.79 2pn8 s ARG 200 Ca 0.43 -2.28 -0.07 0.00 -0.52 0.00 0.00 55.73 53.29 2pn8 s ARG 200 Cb -0.01 -5.09 -0.02 0.00 0.52 0.00 0.00 34.95 30.35 2pn8 s ARG 200 CO 0.30 -1.83 0.07 0.20 0.02 0.00 0.00 175.30 174.05 2pn8 s GLY 201 N 3.23 1.76 -0.03 -3.53 0.00 -1.20 -0.88 107.32 106.67 2pn8 s GLY 201 Ca 0.42 -1.20 0.05 0.00 0.00 0.00 0.00 44.72 43.98 2pn8 s GLY 201 CO -0.02 0.55 -0.18 -2.27 0.00 0.00 0.00 173.10 171.18 2pn8 s LEU 202 N 1.58 2.51 -0.06 0.66 0.20 0.54 0.02 118.68 124.14 2pn8 s LEU 202 Ca 0.06 -0.29 0.02 0.00 0.69 0.00 0.00 54.13 54.60 2pn8 s LEU 202 Cb -0.15 -1.48 0.01 0.00 -0.43 0.00 0.00 46.19 44.14 2pn8 s LEU 202 CO 0.03 0.33 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.96 2pn8 s PHE 203 N -0.71 1.23 -0.25 5.38 0.08 0.58 -0.74 117.98 123.56 2pn8 s PHE 203 Ca 0.11 -0.42 -0.07 0.00 0.12 0.00 0.00 56.93 56.67 2pn8 s PHE 203 Cb -0.10 -0.93 -0.03 0.00 -0.57 0.00 0.00 43.02 41.39 2pn8 s PHE 203 CO 0.00 -0.24 0.06 0.42 -0.10 0.00 0.00 175.22 175.37 2pn8 s ILE 204 N 0.67 4.27 -0.10 0.64 1.01 -0.49 -0.80 121.20 126.41 2pn8 s ILE 204 Ca -0.13 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.37 2pn8 s ILE 204 Cb -0.15 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 2pn8 s ILE 204 CO 0.03 0.35 -0.20 -0.63 0.00 0.00 0.00 174.94 174.48 2pn8 s ILE 205 N 1.56 2.44 0.89 2.92 1.01 -0.08 -0.34 121.20 129.59 2pn8 s ILE 205 Ca 0.06 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 2pn8 s ILE 205 Cb -0.15 -1.96 0.16 0.00 0.01 0.00 0.00 42.46 40.53 2pn8 s ILE 205 CO 0.03 0.55 1.23 1.51 0.00 0.00 0.00 174.94 178.27 2pn8 s ASP 206 N 0.20 3.59 0.50 3.58 1.47 -0.17 -0.38 116.67 125.46 2pn8 s ASP 206 Ca -0.12 0.24 0.34 0.00 1.18 0.00 0.00 52.55 54.19 2pn8 s ASP 206 Cb -0.16 -0.44 1.66 0.00 -0.34 0.00 0.00 42.92 43.64 2pn8 s ASP 206 CO 0.07 -2.42 2.02 -2.24 0.68 0.00 0.00 175.17 173.27 2pn8 h ASP 207 N -1.33 0.00 -0.35 2.11 2.03 -1.88 -0.99 116.42 116.02 2pn8 h ASP 207 Ca -0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 2pn8 h ASP 207 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 2pn8 h ASP 207 CO 0.43 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.93 2pn8 n LYS 208 N -2.77 2.17 -0.93 4.15 4.01 -1.26 -0.65 118.16 122.88 2pn8 n LYS 208 Ca -0.01 -1.78 0.00 0.00 -0.51 0.00 0.00 58.31 56.01 2pn8 n LYS 208 Cb 0.15 -1.45 0.00 0.00 -0.51 0.00 0.00 35.03 33.22 2pn8 n LYS 208 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2pn8 n GLY 209 N 1.34 0.52 3.76 0.72 0.00 -0.37 -5.02 105.19 106.14 2pn8 n GLY 209 Ca 0.18 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2pn8 n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pn8 s ILE 210 N -2.00 4.87 -0.11 -0.61 -1.09 -1.26 -1.00 121.20 120.00 2pn8 s ILE 210 Ca 0.00 1.29 -0.30 0.00 -2.23 0.00 0.00 60.65 59.42 2pn8 s ILE 210 Cb 0.00 -3.95 -0.02 0.00 -1.58 0.00 0.00 42.46 36.91 2pn8 s ILE 210 CO 0.00 0.42 1.22 -0.22 -1.23 0.00 0.00 174.94 175.13 2pn8 s LEU 211 N -0.26 4.23 -0.05 2.97 2.96 -0.46 -1.00 118.68 127.07 2pn8 s LEU 211 Ca 0.32 1.73 0.11 0.00 -0.22 0.00 0.00 54.13 56.07 2pn8 s LEU 211 Cb -0.19 -3.55 -0.17 0.00 0.50 0.00 0.00 46.19 42.78 2pn8 s LEU 211 CO 0.18 -0.67 0.19 0.54 -1.32 0.00 0.00 176.35 175.27 2pn8 n ARG 212 N 5.89 1.00 -3.66 1.98 5.12 0.54 -4.61 116.66 122.91 2pn8 n ARG 212 Ca 0.12 -0.07 -0.14 0.00 -1.93 0.00 0.00 57.85 55.83 2pn8 n ARG 212 Cb 0.46 -1.29 -0.08 0.00 -1.16 0.00 0.00 32.46 30.39 2pn8 n ARG 212 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2pn8 s GLN 213 N -2.64 0.75 -0.06 5.56 -0.44 -1.14 -4.98 119.66 116.71 2pn8 s GLN 213 Ca -0.05 0.65 0.00 0.00 -2.50 0.00 0.00 55.36 53.47 2pn8 s GLN 213 Cb 0.06 0.36 0.02 0.00 -1.64 0.00 0.00 33.01 31.82 2pn8 s GLN 213 CO 0.49 -0.13 -0.04 0.42 0.50 0.00 0.00 175.29 176.54 2pn8 s ILE 214 N -0.06 0.54 -0.18 -2.34 1.01 -1.26 -1.39 121.20 117.52 2pn8 s ILE 214 Ca -0.03 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.56 2pn8 s ILE 214 Cb -0.04 -0.60 0.03 0.00 0.01 0.00 0.00 42.46 41.86 2pn8 s ILE 214 CO 0.03 0.25 -0.14 -0.89 0.00 0.00 0.00 174.94 174.19 2pn8 s THR 215 N 1.29 1.70 -0.21 2.92 2.01 0.08 -5.00 115.64 118.43 2pn8 s THR 215 Ca -0.05 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.11 2pn8 s THR 215 Cb -0.14 -1.65 0.03 0.00 0.01 0.00 0.00 72.50 70.75 2pn8 s THR 215 CO -0.02 0.35 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.34 2pn8 s LEU 216 N 1.41 2.67 -0.07 4.42 1.43 -1.26 -0.34 118.68 126.94 2pn8 s LEU 216 Ca 0.02 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 2pn8 s LEU 216 Cb -0.14 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 2pn8 s LEU 216 CO -0.10 -0.07 -0.04 0.20 0.23 0.00 0.00 176.35 176.57 2pn8 s ASN 217 N 1.23 4.90 0.96 2.29 -0.87 -0.06 -5.00 114.94 118.39 2pn8 s ASN 217 Ca -0.00 0.04 -0.11 0.00 -1.57 0.00 0.00 52.86 51.21 2pn8 s ASN 217 Cb -0.16 -1.29 0.17 0.00 -0.02 0.00 0.00 41.25 39.95 2pn8 s ASN 217 CO -0.10 0.36 1.09 -0.62 -2.57 0.00 0.00 177.10 175.27 2pn8 s ASP 218 N -0.93 2.73 0.29 -1.22 2.15 -1.26 -2.22 116.67 116.20 2pn8 s ASP 218 Ca 0.14 1.78 0.01 0.00 0.43 0.00 0.00 52.55 54.90 2pn8 s ASP 218 Cb -0.11 -2.38 0.53 0.00 -0.30 0.00 0.00 42.92 40.66 2pn8 s ASP 218 CO 0.03 -3.15 1.86 -0.07 -0.17 0.00 0.00 175.17 173.67 2pn8 h LEU 219 N -1.90 0.94 -0.10 -1.34 3.38 -1.97 -3.08 115.31 111.23 2pn8 h LEU 219 Ca -0.50 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2pn8 h LEU 219 Cb 1.29 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2pn8 h LEU 219 CO 0.49 0.54 -0.00 -0.81 0.09 0.00 0.00 178.44 178.75 2pn8 n PRO 220 N -4.56 1.07 -3.95 1.13 -0.04 -1.26 -4.76 135.00 122.63 2pn8 n PRO 220 Ca 0.17 -0.10 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 2pn8 n PRO 220 Cb 0.30 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.09 2pn8 n PRO 220 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2pn8 s VAL 221 N -2.00 1.26 0.77 0.52 1.01 -1.17 -5.03 120.40 115.77 2pn8 s VAL 221 Ca 0.47 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 2pn8 s VAL 221 Cb 0.22 -1.27 0.06 0.00 0.00 0.00 0.00 36.38 35.38 2pn8 s VAL 221 CO 0.37 0.35 1.08 -0.83 0.00 0.00 0.00 175.10 176.07 2pn8 s GLY 222 N 1.60 1.65 0.84 4.51 0.00 -1.26 -4.74 107.32 109.92 2pn8 s GLY 222 Ca 0.04 0.03 -0.11 0.00 0.00 0.00 0.00 44.72 44.68 2pn8 s GLY 222 CO -0.09 0.41 1.14 0.54 0.00 0.00 0.00 173.10 175.10 2pn8 n ARG 223 N -3.43 -0.85 -4.19 2.90 1.74 -1.26 -5.09 116.66 106.49 2pn8 n ARG 223 Ca 0.08 -2.10 -0.32 0.00 -0.77 0.00 0.00 57.85 54.74 2pn8 n ARG 223 Cb 0.54 -1.06 -0.16 0.00 -1.02 0.00 0.00 32.46 30.76 2pn8 n ARG 223 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2pn8 s SER 224 N -5.28 2.94 0.19 0.55 0.15 -1.26 -5.01 113.70 105.99 2pn8 s SER 224 Ca 0.67 -0.58 -0.09 0.00 0.70 0.00 0.00 55.95 56.66 2pn8 s SER 224 Cb -0.02 -1.36 0.10 0.00 -1.71 0.00 0.00 66.02 63.03 2pn8 s SER 224 CO 0.46 -0.00 1.70 0.58 1.20 0.00 0.00 173.24 177.18 2pn8 h VAL 225 N 5.96 1.26 -0.66 4.45 2.07 -1.97 -1.93 116.25 125.43 2pn8 h VAL 225 Ca -0.41 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 2pn8 h VAL 225 Cb 1.15 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2pn8 h VAL 225 CO 0.58 0.38 0.37 0.44 0.02 0.00 0.00 177.57 179.36 2pn8 h ASP 226 N 1.04 0.82 -0.26 0.57 3.32 -1.99 -0.06 116.42 119.87 2pn8 h ASP 226 Ca 0.21 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 2pn8 h ASP 226 Cb 0.39 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2pn8 h ASP 226 CO 0.01 0.67 -0.29 -0.08 -1.72 0.00 0.00 179.24 177.82 2pn8 h GLU 227 N 0.90 0.76 -0.50 3.56 4.57 -1.97 -0.65 114.58 121.25 2pn8 h GLU 227 Ca 0.23 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 2pn8 h GLU 227 Cb 0.02 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2pn8 h GLU 227 CO -0.04 0.96 0.26 1.15 -1.18 0.00 0.00 179.01 180.15 2pn8 h THR 228 N 0.65 1.18 -0.33 0.32 2.02 -0.93 -1.00 112.91 114.82 2pn8 h THR 228 Ca 0.08 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 2pn8 h THR 228 Cb 0.81 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2pn8 h THR 228 CO 0.07 0.20 0.20 -0.07 0.37 0.00 0.00 175.52 176.29 2pn8 h LEU 229 N 0.67 0.40 -0.51 2.58 3.38 -0.83 -1.08 115.31 119.93 2pn8 h LEU 229 Ca 0.17 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.18 2pn8 h LEU 229 Cb 0.08 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 2pn8 h LEU 229 CO -0.03 0.33 0.12 -0.09 0.09 0.00 0.00 178.44 178.87 2pn8 h ARG 230 N 0.44 0.26 -0.27 1.13 2.43 -0.68 -1.26 114.38 116.43 2pn8 h ARG 230 Ca 0.12 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2pn8 h ARG 230 Cb 0.00 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2pn8 h ARG 230 CO -0.02 0.17 0.11 -0.07 -1.51 0.00 0.00 179.97 178.65 2pn8 h LEU 231 N 0.27 0.37 -0.39 3.80 3.38 -0.90 -1.05 115.31 120.79 2pn8 h LEU 231 Ca 0.25 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2pn8 h LEU 231 Cb 0.33 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2pn8 h LEU 231 CO -0.31 0.43 0.17 0.58 0.09 0.00 0.00 178.44 179.40 2pn8 h VAL 232 N 0.29 0.94 -0.67 1.22 2.07 -0.92 -0.55 116.25 118.63 2pn8 h VAL 232 Ca 0.09 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.55 2pn8 h VAL 232 Cb 0.17 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 2pn8 h VAL 232 CO -0.01 0.07 0.37 1.56 0.02 0.00 0.00 177.57 179.58 2pn8 h GLN 233 N 0.36 0.67 -0.23 1.57 4.20 -1.08 -0.13 115.11 120.47 2pn8 h GLN 233 Ca 0.17 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 2pn8 h GLN 233 Cb 0.11 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2pn8 h GLN 233 CO -0.14 0.44 0.04 0.00 -0.67 0.00 0.00 178.83 178.50 2pn8 h ALA 234 N 1.35 0.31 -0.49 3.87 0.00 -0.79 0.71 119.26 124.22 2pn8 h ALA 234 Ca 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2pn8 h ALA 234 Cb 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2pn8 h ALA 234 CO -0.18 -0.02 0.21 0.74 0.00 0.00 0.00 179.25 180.00 2pn8 h PHE 235 N 0.19 0.73 -0.82 0.00 0.04 -0.90 -0.78 116.94 115.41 2pn8 h PHE 235 Ca 0.07 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 2pn8 h PHE 235 Cb 0.32 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 2pn8 h PHE 235 CO 0.02 0.60 0.41 1.96 -0.60 0.00 0.00 178.31 180.69 2pn8 h GLN 236 N 0.65 1.17 -0.18 1.51 4.20 -0.87 0.13 115.11 121.72 2pn8 h GLN 236 Ca 0.17 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2pn8 h GLN 236 Cb 0.16 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2pn8 h GLN 236 CO -0.02 0.89 -0.01 -0.92 -0.67 0.00 0.00 178.83 178.10 2pn8 h TYR 237 N 1.16 0.34 -0.29 2.96 5.03 -0.56 -2.15 116.97 123.47 2pn8 h TYR 237 Ca 0.28 -0.06 -0.09 0.00 2.58 0.00 0.00 58.73 61.44 2pn8 h TYR 237 Cb 0.09 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.27 2pn8 h TYR 237 CO 0.01 0.53 -0.19 1.79 -1.32 0.00 0.00 178.16 178.98 2pn8 h THR 238 N 0.06 1.25 -0.56 1.81 1.35 -0.97 -1.21 112.91 114.64 2pn8 h THR 238 Ca 0.05 -1.18 0.05 0.00 -0.55 0.00 0.00 66.41 64.79 2pn8 h THR 238 Cb 0.40 1.24 -0.05 0.00 -1.73 0.00 0.00 68.15 68.01 2pn8 h THR 238 CO 0.01 0.38 0.28 0.44 -0.25 0.00 0.00 175.52 176.38 2pn8 h ASP 239 N 0.48 0.39 0.38 5.36 3.32 -0.84 0.40 116.42 125.92 2pn8 h ASP 239 Ca 0.08 0.03 -0.25 0.00 0.02 0.00 0.00 57.03 56.92 2pn8 h ASP 239 Cb 0.60 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.12 2pn8 h ASP 239 CO 0.04 0.26 -1.05 0.50 -1.72 0.00 0.00 179.24 177.27 2pn8 h LYS 240 N 0.53 0.40 0.00 3.56 3.64 -0.94 -3.39 116.57 120.38 2pn8 h LYS 240 Ca 0.25 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2pn8 h LYS 240 Cb 0.17 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2pn8 h LYS 240 CO -0.18 1.17 -1.20 0.72 -2.27 0.00 0.00 179.45 177.69 2pn8 n HIS 241 N -3.70 0.00 -0.71 1.91 8.25 -0.50 -5.01 115.22 115.46 2pn8 n HIS 241 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2pn8 n HIS 241 Cb 0.90 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.87 2pn8 n HIS 241 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pn8 n GLY 242 N 1.98 0.77 3.85 -1.41 0.00 0.13 -4.98 105.19 105.52 2pn8 n GLY 242 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2pn8 n GLY 242 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pn8 s GLU 243 N -0.34 1.97 0.22 1.61 2.02 -1.26 -4.62 118.70 118.30 2pn8 s GLU 243 Ca 0.00 0.31 0.11 0.00 0.02 0.00 0.00 54.97 55.41 2pn8 s GLU 243 Cb 0.00 -1.93 -0.05 0.00 0.10 0.00 0.00 34.13 32.25 2pn8 s GLU 243 CO 0.00 -1.63 -0.20 0.14 0.02 0.00 0.00 175.26 173.58 2pn8 s VAL 244 N -3.39 2.52 -0.34 2.63 -7.23 0.01 -4.51 120.40 110.09 2pn8 s VAL 244 Ca 0.61 -2.09 -0.11 0.00 -1.81 0.00 0.00 61.98 58.58 2pn8 s VAL 244 Cb -0.12 -2.25 -0.00 0.00 0.56 0.00 0.00 36.38 34.56 2pn8 s VAL 244 CO 0.51 -0.21 0.20 0.00 -0.31 0.00 0.00 175.10 175.30 2pn8 n PRO 246 N 5.04 -0.87 -1.54 0.00 -0.02 -1.26 -4.86 135.00 131.50 2pn8 n PRO 246 Ca -0.13 -0.21 -0.58 0.00 -2.02 0.00 0.00 63.50 60.56 2pn8 n PRO 246 Cb 0.49 -1.97 -0.08 0.00 -0.02 0.00 0.00 33.50 31.93 2pn8 n PRO 246 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pn8 n ALA 247 N -4.08 -2.82 -0.96 3.55 0.00 -1.26 -1.79 120.51 113.15 2pn8 n ALA 247 Ca 0.06 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.07 2pn8 n ALA 247 Cb 0.55 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.15 2pn8 n ALA 247 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pn8 n GLY 248 N 1.91 0.37 3.57 0.00 0.00 -1.26 -4.97 105.19 104.82 2pn8 n GLY 248 Ca 0.20 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.74 2pn8 n GLY 248 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2pn8 n TRP 249 N -2.50 1.21 -4.27 1.61 -0.00 -0.74 -5.02 117.44 107.73 2pn8 n TRP 249 Ca 0.00 0.70 -0.15 0.00 -0.00 0.00 0.00 57.50 58.05 2pn8 n TRP 249 Cb 0.15 -2.26 -0.10 0.00 -0.00 0.00 0.00 31.31 29.10 2pn8 n TRP 249 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 2pn8 s LYS 250 N -0.62 1.15 0.08 5.87 1.02 -1.26 -4.95 119.74 121.04 2pn8 s LYS 250 Ca 0.70 -1.53 -0.37 0.00 0.02 0.00 0.00 55.97 54.80 2pn8 s LYS 250 Cb -0.83 -0.59 -0.17 0.00 -0.52 0.00 0.00 37.83 35.73 2pn8 s LYS 250 CO 0.54 0.00 1.36 -2.30 -0.92 0.00 0.00 175.35 174.04 2pn8 n PRO 251 N -0.27 1.21 0.00 -1.68 -0.02 -1.26 -0.98 135.00 132.01 2pn8 n PRO 251 Ca -0.08 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2pn8 n PRO 251 Cb 0.62 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 2pn8 n PRO 251 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pn8 n GLY 252 N 2.61 2.07 3.85 -1.23 0.00 -1.26 -5.07 105.19 106.17 2pn8 n GLY 252 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2pn8 n GLY 252 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pn8 s SER 253 N -1.47 6.10 0.46 1.61 0.01 -0.15 -5.03 113.70 115.24 2pn8 s SER 253 Ca 0.00 1.50 -0.24 0.00 1.31 0.00 0.00 55.95 58.52 2pn8 s SER 253 Cb 0.00 -2.48 -0.07 0.00 0.21 0.00 0.00 66.02 63.67 2pn8 s SER 253 CO 0.00 -0.96 1.29 -1.61 0.41 0.00 0.00 173.24 172.37 2pn8 s GLU 254 N -4.95 3.66 0.47 12.44 2.02 -1.26 -4.93 118.70 126.15 2pn8 s GLU 254 Ca 0.56 2.09 0.04 0.00 0.02 0.00 0.00 54.97 57.69 2pn8 s GLU 254 Cb -0.12 -2.52 -0.03 0.00 0.10 0.00 0.00 34.13 31.56 2pn8 s GLU 254 CO 0.50 -0.72 0.07 0.95 0.02 0.00 0.00 175.26 176.08 2pn8 s THR 255 N -1.35 1.60 -0.05 3.63 -4.23 -1.26 -4.47 115.64 109.52 2pn8 s THR 255 Ca 0.63 -1.91 0.05 0.00 -1.18 0.00 0.00 61.69 59.27 2pn8 s THR 255 Cb -0.36 -2.52 -0.00 0.00 1.34 0.00 0.00 72.50 70.95 2pn8 s THR 255 CO 0.45 0.00 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.71 2pn8 s ILE 256 N -2.78 1.56 -0.29 2.99 1.01 -0.71 -4.78 121.20 118.19 2pn8 s ILE 256 Ca 0.22 -0.79 -0.28 0.00 0.00 0.00 0.00 60.65 59.80 2pn8 s ILE 256 Cb 0.04 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.18 2pn8 s ILE 256 CO 0.12 0.45 1.01 -0.63 0.00 0.00 0.00 174.94 175.88 2pn8 s ILE 257 N -0.00 4.61 -1.53 2.92 1.01 -1.26 -0.81 121.20 126.13 2pn8 s ILE 257 Ca -0.04 1.70 -0.09 0.00 0.00 0.00 0.00 60.65 62.22 2pn8 s ILE 257 Cb -0.12 -4.33 -0.09 0.00 0.01 0.00 0.00 42.46 37.93 2pn8 s ILE 257 CO 0.03 -0.36 2.87 -0.81 0.00 0.00 0.00 174.94 176.66 2pn8 n PRO 258 N 6.60 3.49 -4.13 2.79 -0.04 -1.26 -2.85 135.00 139.59 2pn8 n PRO 258 Ca 0.10 -2.10 -0.15 0.00 -0.04 0.00 0.00 63.50 61.32 2pn8 n PRO 258 Cb 0.47 -2.75 -0.13 0.00 -0.04 0.00 0.00 33.50 31.05 2pn8 n PRO 258 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2pn8 s ASP 259 N 2.33 0.88 0.55 3.54 2.15 -1.26 -5.01 116.67 119.84 2pn8 s ASP 259 Ca 0.66 -0.38 0.30 0.00 0.43 0.00 0.00 52.55 53.56 2pn8 s ASP 259 Cb 0.17 -0.02 1.47 0.00 -0.30 0.00 0.00 42.92 44.24 2pn8 s ASP 259 CO -0.06 -0.08 1.90 -0.65 -0.17 0.00 0.00 175.17 176.11 2pn8 h PRO 260 N 5.07 0.00 0.00 4.34 0.11 -2.01 -0.10 132.00 139.41 2pn8 h PRO 260 Ca -0.33 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.52 2pn8 h PRO 260 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2pn8 h PRO 260 CO 0.44 0.00 -1.44 0.00 -0.21 0.00 0.00 178.00 176.80 2pn8 n ALA 261 N -2.62 0.84 0.28 -0.75 0.00 -1.26 -4.36 120.51 112.63 2pn8 n ALA 261 Ca 0.15 -0.59 0.16 0.00 0.00 0.00 0.00 53.44 53.16 2pn8 n ALA 261 Cb 0.86 -0.40 0.92 0.00 0.00 0.00 0.00 19.45 20.82 2pn8 n ALA 261 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2pn8 h GLY 262 N -1.00 0.00 2.00 0.00 0.00 -1.79 -2.66 103.07 99.62 2pn8 h GLY 262 Ca -0.39 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 2pn8 h GLY 262 CO -0.23 0.00 -0.10 0.07 0.00 0.00 0.00 176.54 176.27 2pn8 h LYS 263 N 0.00 0.00 0.00 4.80 2.10 -0.86 -3.00 116.57 119.61 2pn8 h LYS 263 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 2pn8 h LYS 263 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2pn8 h LYS 263 CO -0.00 0.10 0.00 -0.07 -2.00 0.00 0.00 179.45 177.48 2pn8 h LEU 264 N 0.00 0.00 -0.83 7.07 3.38 -1.72 -2.07 115.31 121.14 2pn8 h LEU 264 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2pn8 h LEU 264 Cb 0.20 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 2pn8 h LEU 264 CO 0.01 0.00 0.52 0.50 0.09 0.00 0.00 178.44 179.56 2pn8 h LYS 265 N 0.00 0.93 0.01 1.13 3.64 -1.74 0.15 116.57 120.69 2pn8 h LYS 265 Ca 0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2pn8 h LYS 265 Cb 0.38 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2pn8 h LYS 265 CO 0.00 0.62 -0.00 -0.92 -2.27 0.00 0.00 179.45 176.88 2pn8 h TYR 266 N 0.96 -0.01 0.14 1.91 5.03 -1.59 -3.39 116.97 120.02 2pn8 h TYR 266 Ca 0.36 -0.00 -0.31 0.00 2.58 0.00 0.00 58.73 61.36 2pn8 h TYR 266 Cb 0.13 0.00 0.03 0.00 1.55 0.00 0.00 36.73 38.44 2pn8 h TYR 266 CO -0.03 0.74 -1.29 0.74 -1.32 0.00 0.00 178.16 177.00 2pn8 h PHE 267 N -0.77 1.00 -1.09 -3.82 0.04 -1.36 -3.40 116.94 107.53 2pn8 h PHE 267 Ca -0.00 -0.65 -0.75 0.00 2.80 0.00 0.00 57.97 59.38 2pn8 h PHE 267 Cb 0.75 -0.07 -0.13 0.00 2.20 0.00 0.00 35.95 38.70 2pn8 h PHE 267 CO 0.19 1.49 2.26 -3.47 -0.60 0.00 0.00 178.31 178.17 2pn8 n ASP 268 N -3.77 4.83 0.00 2.17 2.03 0.51 -5.06 116.55 117.25 2pn8 n ASP 268 Ca -0.14 -3.05 0.00 0.00 0.52 0.00 0.00 54.79 52.12 2pn8 n ASP 268 Cb 1.01 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 2pn8 n ASP 268 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57