#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 0.52 0.54 -3.48 0.08 -1.26 -5.16 117.98 109.22 2pn8 s PHE 80 Ca 0.00 -0.95 -0.19 0.00 0.12 0.00 0.00 56.93 55.91 2pn8 s PHE 80 Cb 0.00 -0.27 -0.06 0.00 -0.57 0.00 0.00 43.02 42.12 2pn8 s PHE 80 CO 0.00 -0.54 1.10 -0.65 -0.10 0.00 0.00 175.22 175.04 2pn8 s GLN 81 N -3.96 3.40 -1.31 0.44 -0.21 -1.26 -4.19 119.66 112.58 2pn8 s GLN 81 Ca 0.14 1.52 -0.03 0.00 0.02 0.00 0.00 55.36 57.01 2pn8 s GLN 81 Cb 0.06 -2.02 0.01 0.00 1.00 0.00 0.00 33.01 32.06 2pn8 s GLN 81 CO -0.04 -0.79 0.94 0.43 -2.12 0.00 0.00 175.29 173.71 2pn8 n SER 82 N -1.36 -2.93 -4.71 5.90 7.64 -1.26 -4.97 113.62 111.93 2pn8 n SER 82 Ca 0.11 -0.69 -0.42 0.00 1.01 0.00 0.00 58.87 58.88 2pn8 n SER 82 Cb 0.51 -4.62 -0.03 0.00 -1.01 0.00 0.00 64.21 59.06 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 -5.89 4.48 0.43 1.43 1.00 -1.26 -4.90 119.30 114.58 2pn8 s MET 83 Ca 0.20 1.59 -0.26 0.00 0.00 0.00 0.00 55.69 57.22 2pn8 s MET 83 Cb -0.09 -3.42 -0.09 0.00 0.00 0.00 0.00 34.83 31.23 2pn8 s MET 83 CO 0.77 -0.19 1.37 -2.14 0.00 0.00 0.00 175.02 174.82 2pn8 s PRO 84 N 1.20 3.83 0.26 2.03 0.02 -1.26 -1.28 135.00 139.80 2pn8 s PRO 84 Ca 0.55 2.29 -0.30 0.00 0.02 0.00 0.00 61.00 63.56 2pn8 s PRO 84 Cb -0.25 -2.71 -0.11 0.00 0.02 0.00 0.00 34.50 31.45 2pn8 s PRO 84 CO 0.27 -0.65 1.56 0.00 -0.33 0.00 0.00 177.00 177.86 2pn8 s ALA 85 N -1.23 3.73 0.43 -1.55 0.00 -0.02 -4.71 121.76 118.41 2pn8 s ALA 85 Ca 0.59 1.49 -0.26 0.00 0.00 0.00 0.00 51.96 53.78 2pn8 s ALA 85 Cb -0.41 -3.63 -0.09 0.00 0.00 0.00 0.00 23.12 18.99 2pn8 s ALA 85 CO 0.53 -0.90 1.46 -2.30 0.00 0.00 0.00 175.76 174.55 2pn8 n PRO 86 N 2.49 2.41 -1.91 0.00 -0.02 -1.26 -4.94 135.00 131.78 2pn8 n PRO 86 Ca 0.09 0.85 -0.39 0.00 -2.02 0.00 0.00 63.50 62.04 2pn8 n PRO 86 Cb 0.38 -2.66 0.02 0.00 -0.02 0.00 0.00 33.50 31.23 2pn8 n PRO 86 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2pn8 s TYR 87 N -1.17 2.49 0.03 6.00 5.04 -1.26 -5.01 117.35 123.47 2pn8 s TYR 87 Ca 0.58 1.39 -0.04 0.00 -2.44 0.00 0.00 57.07 56.57 2pn8 s TYR 87 Cb -0.46 -3.73 -0.02 0.00 0.35 0.00 0.00 41.96 38.11 2pn8 s TYR 87 CO 0.60 -2.55 0.05 1.67 -1.34 0.00 0.00 175.55 173.98 2pn8 s TRP 88 N -1.32 0.24 -0.07 4.97 1.48 -1.26 -5.02 118.94 117.96 2pn8 s TRP 88 Ca 0.66 -0.54 -0.17 0.00 -1.06 0.00 0.00 56.10 55.00 2pn8 s TRP 88 Cb -0.39 -0.18 0.03 0.00 -1.16 0.00 0.00 33.47 31.78 2pn8 s TRP 88 CO 0.47 -0.31 0.39 -1.83 -4.06 0.00 0.00 176.95 171.61 2pn8 s GLU 89 N -2.32 0.66 -0.00 3.25 -1.05 -1.26 -1.09 118.70 116.88 2pn8 s GLU 89 Ca -0.08 0.12 -0.20 0.00 -0.15 0.00 0.00 54.97 54.67 2pn8 s GLU 89 Cb -0.03 0.30 0.07 0.00 -0.44 0.00 0.00 34.13 34.03 2pn8 s GLU 89 CO -0.04 -0.16 0.89 0.41 0.95 0.00 0.00 175.26 177.32 2pn8 n GLY 90 N 1.75 0.38 3.71 -3.83 0.00 -0.60 -5.01 105.19 101.60 2pn8 n GLY 90 Ca -0.18 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.07 5.04 0.16 2.61 2.01 -1.26 -0.95 115.64 121.18 2pn8 s THR 91 Ca 0.21 1.42 0.10 0.00 0.31 0.00 0.00 61.69 63.74 2pn8 s THR 91 Cb -0.01 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2pn8 s THR 91 CO -0.00 0.24 -0.24 0.00 -0.69 0.00 0.00 174.62 173.93 2pn8 s ALA 92 N 0.91 2.32 -0.30 7.40 0.00 0.35 -0.95 121.76 131.49 2pn8 s ALA 92 Ca 0.37 -1.51 -0.21 0.00 0.00 0.00 0.00 51.96 50.60 2pn8 s ALA 92 Cb -0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 2pn8 s ALA 92 CO 0.17 0.43 0.67 0.08 0.00 0.00 0.00 175.76 177.11 2pn8 s VAL 93 N -1.46 4.91 -0.12 0.00 1.01 -0.12 -0.56 120.40 124.06 2pn8 s VAL 93 Ca 0.16 0.99 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 2pn8 s VAL 93 Cb -0.09 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.30 2pn8 s VAL 93 CO 0.07 -0.13 -0.06 -0.63 0.00 0.00 0.00 175.10 174.35 2pn8 s ILE 94 N 2.67 0.99 -1.40 2.22 1.01 0.11 -2.13 121.20 124.66 2pn8 s ILE 94 Ca 0.27 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.52 2pn8 s ILE 94 Cb -0.15 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.28 2pn8 s ILE 94 CO 0.11 0.31 0.34 0.47 0.00 0.00 0.00 174.94 176.17 2pn8 n ASP 95 N 4.95 -0.91 0.00 3.58 8.00 -1.26 -1.35 116.55 129.56 2pn8 n ASP 95 Ca -0.12 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.22 2pn8 n ASP 95 Cb 0.50 -2.32 0.00 0.00 -0.02 0.00 0.00 41.12 39.28 2pn8 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pn8 n GLY 96 N -2.20 0.55 3.35 0.44 0.00 -1.26 -5.00 105.19 101.06 2pn8 n GLY 96 Ca -0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.40 1.31 -0.15 1.61 2.02 -0.46 -5.09 118.70 117.55 2pn8 s GLU 97 Ca 0.00 -1.34 -0.26 0.00 0.02 0.00 0.00 54.97 53.39 2pn8 s GLU 97 Cb 0.00 -1.60 -0.02 0.00 0.10 0.00 0.00 34.13 32.61 2pn8 s GLU 97 CO 0.00 0.36 0.87 -0.06 0.02 0.00 0.00 175.26 176.45 2pn8 s PHE 98 N -1.44 3.45 0.01 1.61 0.08 -1.26 0.09 117.98 120.52 2pn8 s PHE 98 Ca 0.13 1.35 0.00 0.00 0.12 0.00 0.00 56.93 58.53 2pn8 s PHE 98 Cb -0.09 -3.05 -0.01 0.00 -0.57 0.00 0.00 43.02 39.31 2pn8 s PHE 98 CO 0.06 -0.22 -0.03 0.15 -0.10 0.00 0.00 175.22 175.09 2pn8 s LYS 99 N 2.03 0.22 0.19 0.44 -0.14 0.27 -4.96 119.74 117.80 2pn8 s LYS 99 Ca 0.41 -0.29 -0.30 0.00 -1.36 0.00 0.00 55.97 54.43 2pn8 s LYS 99 Cb -0.17 -0.06 -0.08 0.00 -1.68 0.00 0.00 37.83 35.84 2pn8 s LYS 99 CO 0.14 0.01 1.17 -2.00 -0.76 0.00 0.00 175.35 173.91 2pn8 s GLU 100 N -0.62 4.52 -0.00 1.68 2.12 -1.26 -0.50 118.70 124.64 2pn8 s GLU 100 Ca -0.06 1.84 0.02 0.00 0.36 0.00 0.00 54.97 57.14 2pn8 s GLU 100 Cb -0.04 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 2pn8 s GLU 100 CO -0.00 -0.03 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.44 2pn8 s LEU 101 N -0.38 2.03 0.05 2.70 2.96 -0.12 -4.91 118.68 121.01 2pn8 s LEU 101 Ca 0.51 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 54.30 2pn8 s LEU 101 Cb -0.32 -0.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.96 2pn8 s LEU 101 CO 0.37 0.08 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.80 2pn8 s LYS 102 N -0.28 0.85 0.24 1.98 1.02 -1.26 -1.55 119.74 120.74 2pn8 s LYS 102 Ca 0.02 -0.81 -0.04 0.00 0.02 0.00 0.00 55.97 55.16 2pn8 s LYS 102 Cb -0.03 -0.84 0.44 0.00 -0.52 0.00 0.00 37.83 36.88 2pn8 s LYS 102 CO -0.00 0.20 1.76 1.25 -0.92 0.00 0.00 175.35 177.64 2pn8 h LEU 103 N 4.69 0.46 -2.02 3.17 5.85 -1.51 -1.75 115.31 124.20 2pn8 h LEU 103 Ca -0.39 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2pn8 h LEU 103 Cb 1.19 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2pn8 h LEU 103 CO 0.42 0.22 0.00 0.71 -0.34 0.00 0.00 178.44 179.45 2pn8 h THR 104 N 0.59 0.00 -0.01 1.05 1.35 -1.97 -1.16 112.91 112.75 2pn8 h THR 104 Ca 0.41 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 66.15 2pn8 h THR 104 Cb 0.53 0.95 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2pn8 h THR 104 CO -0.33 0.00 0.04 0.44 -0.25 0.00 0.00 175.52 175.42 2pn8 h ASP 105 N 0.00 0.00 -0.34 5.36 3.32 -1.72 -2.65 116.42 120.38 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 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 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 -3.23 0.44 -1.81 4.55 4.01 -0.44 -4.98 117.16 115.71 2pn8 n TYR 106 Ca -0.03 -0.25 -0.39 0.00 -0.16 0.00 0.00 57.90 57.07 2pn8 n TYR 106 Cb 0.12 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.16 2pn8 n TYR 106 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2pn8 s ARG 107 N -1.39 3.57 0.00 -0.72 1.81 -1.00 -1.93 118.95 119.29 2pn8 s ARG 107 Ca 0.35 2.36 0.00 0.00 -1.72 0.00 0.00 55.73 56.72 2pn8 s ARG 107 Cb 0.20 -2.57 0.00 0.00 -0.45 0.00 0.00 34.95 32.14 2pn8 s ARG 107 CO 0.28 -0.89 0.00 0.41 -0.68 0.00 0.00 175.30 174.42 2pn8 n GLY 108 N 0.61 2.18 3.18 -3.53 0.00 -0.27 -5.04 105.19 102.33 2pn8 n GLY 108 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.74 0.86 0.55 1.61 1.02 -0.81 -4.83 119.74 117.40 2pn8 s LYS 109 Ca 0.00 -1.10 -0.20 0.00 0.02 0.00 0.00 55.97 54.70 2pn8 s LYS 109 Cb 0.00 -0.69 -0.05 0.00 -0.52 0.00 0.00 37.83 36.57 2pn8 s LYS 109 CO 0.00 0.13 1.19 0.71 -0.92 0.00 0.00 175.35 176.46 2pn8 s TYR 110 N -1.97 2.54 -0.06 3.18 1.51 -0.89 -3.37 117.35 118.29 2pn8 s TYR 110 Ca 0.03 1.52 -0.00 0.00 -1.01 0.00 0.00 57.07 57.61 2pn8 s TYR 110 Cb -0.06 -3.43 0.03 0.00 -0.11 0.00 0.00 41.96 38.39 2pn8 s TYR 110 CO 0.01 -1.95 -0.02 -1.17 -1.11 0.00 0.00 175.55 171.32 2pn8 s LEU 111 N -3.79 0.94 -0.45 -1.29 2.96 0.13 -0.90 118.68 116.27 2pn8 s LEU 111 Ca 0.74 -0.10 -0.20 0.00 -0.22 0.00 0.00 54.13 54.34 2pn8 s LEU 111 Cb -0.29 -0.44 0.03 0.00 0.50 0.00 0.00 46.19 46.00 2pn8 s LEU 111 CO 0.32 -0.13 0.64 -0.69 -1.32 0.00 0.00 176.35 175.17 2pn8 s VAL 112 N 1.48 4.84 -0.27 1.68 1.01 0.23 -1.02 120.40 128.34 2pn8 s VAL 112 Ca -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 2pn8 s VAL 112 Cb -0.13 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.04 2pn8 s VAL 112 CO -0.03 -0.64 0.02 0.12 0.00 0.00 0.00 175.10 174.57 2pn8 s PHE 113 N 2.78 3.11 0.02 5.22 5.36 0.29 -1.31 117.98 133.45 2pn8 s PHE 113 Ca 0.21 -1.18 0.05 0.00 -0.96 0.00 0.00 56.93 55.05 2pn8 s PHE 113 Cb -0.15 -2.17 -0.02 0.00 -0.34 0.00 0.00 43.02 40.34 2pn8 s PHE 113 CO 0.18 -0.63 -0.15 -0.59 -1.46 0.00 0.00 175.22 172.57 2pn8 s PHE 114 N 1.43 1.29 0.06 10.12 -0.71 -0.13 -0.61 117.98 129.43 2pn8 s PHE 114 Ca 0.02 -0.31 -0.05 0.00 -1.04 0.00 0.00 56.93 55.56 2pn8 s PHE 114 Cb -0.17 -0.79 -0.05 0.00 -1.21 0.00 0.00 43.02 40.80 2pn8 s PHE 114 CO -0.00 0.02 0.28 -0.06 -1.34 0.00 0.00 175.22 174.12 2pn8 s PHE 115 N -0.63 3.54 0.02 3.49 0.40 0.92 -0.50 117.98 125.21 2pn8 s PHE 115 Ca 0.04 0.49 0.03 0.00 -0.60 0.00 0.00 56.93 56.89 2pn8 s PHE 115 Cb -0.07 -1.94 -0.01 0.00 0.51 0.00 0.00 43.02 41.51 2pn8 s PHE 115 CO 0.01 0.56 -0.10 1.52 0.70 0.00 0.00 175.22 177.91 2pn8 s TYR 116 N -1.45 0.84 0.04 0.36 1.13 -0.12 -3.22 117.35 114.93 2pn8 s TYR 116 Ca 0.33 -0.28 -0.10 0.00 -1.41 0.00 0.00 57.07 55.62 2pn8 s TYR 116 Cb -0.13 -0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 40.18 2pn8 s TYR 116 CO 0.21 -0.01 1.16 -1.35 -2.51 0.00 0.00 175.55 173.05 2pn8 h PRO 117 N 5.33 -0.13 -2.53 -3.49 0.11 -1.75 -3.38 132.00 126.16 2pn8 h PRO 117 Ca -0.33 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.69 2pn8 h PRO 117 Cb 1.19 0.03 -0.24 0.00 0.11 0.00 0.00 31.00 32.09 2pn8 h PRO 117 CO 0.46 -0.08 -0.17 -0.51 -0.21 0.00 0.00 178.00 177.48 2pn8 s LEU 118 N -6.78 -0.02 0.64 2.35 1.43 -1.26 -4.36 118.68 110.69 2pn8 s LEU 118 Ca -0.04 1.01 -0.18 0.00 -1.03 0.00 0.00 54.13 53.89 2pn8 s LEU 118 Cb 0.02 1.65 -0.02 0.00 0.03 0.00 0.00 46.19 47.87 2pn8 s LEU 118 CO 0.18 -0.18 1.10 0.47 0.23 0.00 0.00 176.35 178.14 2pn8 n ASP 119 N 3.35 1.24 -2.23 2.29 9.92 -1.26 -3.15 116.55 126.71 2pn8 n ASP 119 Ca -0.17 0.79 -0.19 0.00 -0.53 0.00 0.00 54.79 54.69 2pn8 n ASP 119 Cb 0.56 -1.46 -0.01 0.00 -0.64 0.00 0.00 41.12 39.58 2pn8 n ASP 119 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2pn8 n PHE 120 N -1.97 -0.94 -0.40 1.24 3.72 -1.26 -4.99 117.46 112.85 2pn8 n PHE 120 Ca 0.15 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 2pn8 n PHE 120 Cb 0.48 -3.78 0.00 0.00 -0.94 0.00 0.00 39.48 35.25 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 -4.03 0.00 0.00 4.37 -2.24 -1.19 -5.13 114.28 106.07 2pn8 n THR 121 Ca -0.23 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2pn8 n THR 121 Cb 0.67 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 0.09 4.78 3.72 -1.26 -4.62 117.46 120.17 2pn8 n PHE 122 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 2pn8 n PHE 122 Cb 0.00 -0.00 0.17 0.00 -0.94 0.00 0.00 39.48 38.71 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 -0.00 1.35 -0.16 -4.37 2.07 -1.96 -3.34 116.25 109.83 2pn8 h VAL 123 Ca 0.00 -1.75 0.05 0.00 0.82 0.00 0.00 66.70 65.82 2pn8 h VAL 123 Cb 0.00 1.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 2pn8 h VAL 123 CO 0.00 0.52 -0.23 0.00 0.02 0.00 0.00 177.57 177.88 2pn8 h PRO 125 N -0.27 0.40 -0.07 0.00 0.13 -1.82 -1.96 132.00 128.40 2pn8 h PRO 125 Ca 0.11 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.15 2pn8 h PRO 125 Cb 0.44 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 2pn8 h PRO 125 CO -0.32 0.31 -0.23 1.79 -0.23 0.00 0.00 178.00 179.33 2pn8 h THR 126 N 0.40 1.20 -0.04 1.56 1.35 -1.36 -0.31 112.91 115.71 2pn8 h THR 126 Ca 0.10 -0.92 -0.08 0.00 -0.55 0.00 0.00 66.41 64.97 2pn8 h THR 126 Cb 0.04 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 2pn8 h THR 126 CO -0.02 0.27 -0.30 -0.33 -0.25 0.00 0.00 175.52 174.90 2pn8 h GLU 127 N 0.11 0.27 -0.42 4.72 5.08 -0.69 -0.48 114.58 123.17 2pn8 h GLU 127 Ca 0.02 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2pn8 h GLU 127 Cb 0.46 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2pn8 h GLU 127 CO 0.03 0.91 0.25 0.82 -1.00 0.00 0.00 179.01 180.02 2pn8 h ILE 128 N -0.29 1.14 -0.57 3.13 2.04 -1.20 -1.94 117.51 119.82 2pn8 h ILE 128 Ca -0.03 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 2pn8 h ILE 128 Cb 0.99 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2pn8 h ILE 128 CO 0.06 0.14 0.11 0.40 0.00 0.00 0.00 178.15 178.86 2pn8 h ILE 129 N 0.56 1.25 -0.06 -0.67 2.04 -1.13 0.13 117.51 119.63 2pn8 h ILE 129 Ca 0.15 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.08 2pn8 h ILE 129 Cb 0.01 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2pn8 h ILE 129 CO -0.03 0.35 0.00 0.00 0.00 0.00 0.00 178.15 178.47 2pn8 h ALA 130 N 1.01 0.05 -0.60 1.87 0.00 -0.78 0.13 119.26 120.94 2pn8 h ALA 130 Ca 0.17 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2pn8 h ALA 130 Cb 0.39 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2pn8 h ALA 130 CO 0.01 -0.47 0.12 0.74 0.00 0.00 0.00 179.25 179.65 2pn8 h PHE 131 N 0.03 1.04 -0.50 0.00 0.04 -1.35 -3.05 116.94 113.15 2pn8 h PHE 131 Ca 0.03 -0.13 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 2pn8 h PHE 131 Cb 0.03 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.87 2pn8 h PHE 131 CO -0.11 0.89 0.12 0.78 -0.60 0.00 0.00 178.31 179.39 2pn8 h GLY 132 N 0.89 0.87 2.00 -1.45 0.00 -0.22 -0.70 103.07 104.46 2pn8 h GLY 132 Ca 0.19 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2pn8 h GLY 132 CO 0.01 0.51 0.00 -0.55 0.00 0.00 0.00 176.54 176.51 2pn8 h ASP 133 N 0.69 0.00 -0.26 0.19 5.19 -0.82 -2.87 116.42 118.54 2pn8 h ASP 133 Ca 0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 2pn8 h ASP 133 Cb 0.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.85 2pn8 h ASP 133 CO 0.00 0.00 0.00 0.54 -3.12 0.00 0.00 179.24 176.66 2pn8 n ARG 134 N -3.02 2.86 -0.18 3.56 1.74 -1.02 -4.78 116.66 115.81 2pn8 n ARG 134 Ca 0.01 -2.68 0.10 0.00 -0.77 0.00 0.00 57.85 54.51 2pn8 n ARG 134 Cb 0.34 -1.72 0.40 0.00 -1.02 0.00 0.00 32.46 30.46 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 1.75 0.57 -2.09 0.55 5.85 -0.90 -0.82 115.31 120.23 2pn8 h LEU 135 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2pn8 h LEU 135 Cb 1.29 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 2pn8 h LEU 135 CO 0.17 0.34 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.26 2pn8 h GLU 136 N 0.64 0.00 0.00 1.25 4.39 -1.86 -0.24 114.58 118.75 2pn8 h GLU 136 Ca 0.34 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.01 2pn8 h GLU 136 Cb 0.49 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2pn8 h GLU 136 CO -0.12 0.02 -0.18 0.93 -1.16 0.00 0.00 179.01 178.50 2pn8 h GLU 137 N 0.00 0.00 0.05 2.33 5.08 -1.53 -1.85 114.58 118.66 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 0.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2pn8 h GLU 137 CO 0.00 0.18 -1.52 0.74 -1.00 0.00 0.00 179.01 177.41 2pn8 h PHE 138 N 0.00 0.18 -0.13 4.33 -1.00 -1.20 -3.37 116.94 115.75 2pn8 h PHE 138 Ca -0.00 -0.13 -0.07 0.00 2.81 0.00 0.00 57.97 60.58 2pn8 h PHE 138 Cb 0.63 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.17 2pn8 h PHE 138 CO 0.00 1.60 -0.22 0.00 -1.61 0.00 0.00 178.31 178.08 2pn8 h ARG 139 N -0.61 0.23 0.00 1.51 3.08 -0.90 0.91 114.38 118.61 2pn8 h ARG 139 Ca -0.38 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2pn8 h ARG 139 Cb 1.57 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.60 2pn8 h ARG 139 CO -0.10 0.45 0.00 -1.13 -1.07 0.00 0.00 179.97 178.12 2pn8 n SER 140 N -4.20 0.33 -1.84 7.04 3.41 -0.70 -2.05 113.62 115.62 2pn8 n SER 140 Ca -0.01 0.57 -0.21 0.00 -0.26 0.00 0.00 58.87 58.97 2pn8 n SER 140 Cb 0.33 -0.64 0.06 0.00 -0.26 0.00 0.00 64.21 63.70 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 -1.85 2.61 -3.18 -1.33 -5.35 0.15 -4.96 119.36 105.46 2pn8 n ILE 141 Ca 0.03 -3.88 -0.23 0.00 -0.27 0.00 0.00 62.75 58.41 2pn8 n ILE 141 Cb 0.23 -0.99 0.03 0.00 -1.74 0.00 0.00 39.64 37.17 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 -0.81 -5.40 -4.18 7.28 5.15 -0.87 -4.88 115.26 111.55 2pn8 n ASN 142 Ca 0.42 -0.34 -0.27 0.00 -0.60 0.00 0.00 54.58 53.79 2pn8 n ASN 142 Cb 0.91 -4.38 -0.16 0.00 -0.53 0.00 0.00 39.78 35.62 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 -3.12 1.59 0.37 -0.44 2.01 -0.25 -2.10 115.64 113.71 2pn8 s THR 143 Ca 0.36 -0.82 0.08 0.00 0.31 0.00 0.00 61.69 61.62 2pn8 s THR 143 Cb -0.17 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 2pn8 s THR 143 CO 0.44 0.45 0.22 -1.61 -0.69 0.00 0.00 174.62 173.43 2pn8 s GLU 144 N -0.13 2.40 -0.02 4.92 0.41 -0.08 -2.49 118.70 123.71 2pn8 s GLU 144 Ca -0.01 -1.60 0.02 0.00 -0.41 0.00 0.00 54.97 52.97 2pn8 s GLU 144 Cb -0.11 -2.20 0.01 0.00 -1.78 0.00 0.00 34.13 30.05 2pn8 s GLU 144 CO 0.02 -0.01 -0.05 0.08 -0.49 0.00 0.00 175.26 174.81 2pn8 s VAL 145 N -2.47 0.48 -0.01 2.63 1.01 -1.26 -0.60 120.40 120.18 2pn8 s VAL 145 Ca 0.41 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.22 2pn8 s VAL 145 Cb -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.91 2pn8 s VAL 145 CO 0.24 0.17 -0.05 -0.69 0.00 0.00 0.00 175.10 174.77 2pn8 s VAL 146 N 0.33 0.44 0.13 2.92 1.01 -0.43 -4.24 120.40 120.56 2pn8 s VAL 146 Ca -0.04 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.81 2pn8 s VAL 146 Cb -0.08 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2pn8 s VAL 146 CO -0.00 0.14 -0.07 0.00 0.00 0.00 0.00 175.10 175.17 2pn8 s ALA 147 N 0.10 3.03 -0.07 5.51 0.00 -0.81 -0.96 121.76 128.56 2pn8 s ALA 147 Ca -0.01 -1.30 -0.05 0.00 0.00 0.00 0.00 51.96 50.60 2pn8 s ALA 147 Cb -0.05 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.19 2pn8 s ALA 147 CO -0.00 0.58 0.17 0.00 0.00 0.00 0.00 175.76 176.51 2pn8 s SER 149 N 0.67 1.49 0.00 0.00 1.04 -1.03 -0.94 113.70 114.94 2pn8 s SER 149 Ca -0.05 -1.51 0.15 0.00 0.48 0.00 0.00 55.95 55.02 2pn8 s SER 149 Cb -0.06 0.33 0.74 0.00 0.10 0.00 0.00 66.02 67.12 2pn8 s SER 149 CO -0.03 -0.85 1.42 1.33 0.98 0.00 0.00 173.24 176.09 2pn8 n VAL 150 N -0.56 0.64 -1.52 5.02 0.24 -1.26 -0.57 118.33 120.32 2pn8 n VAL 150 Ca 0.00 0.16 -0.32 0.00 -2.04 0.00 0.00 64.34 62.15 2pn8 n VAL 150 Cb 0.65 -0.91 0.07 0.00 -1.47 0.00 0.00 33.84 32.18 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 -2.64 4.89 0.80 -1.34 1.01 -1.26 -3.36 116.67 114.78 2pn8 s ASP 151 Ca 0.13 1.86 -0.11 0.00 0.71 0.00 0.00 52.55 55.14 2pn8 s ASP 151 Cb 0.10 -2.53 0.07 0.00 1.01 0.00 0.00 42.92 41.57 2pn8 s ASP 151 CO 0.23 -1.77 1.09 -0.94 0.21 0.00 0.00 175.17 173.99 2pn8 s SER 152 N -3.11 4.41 0.46 0.27 1.04 -1.26 -3.81 113.70 111.70 2pn8 s SER 152 Ca 0.63 1.45 0.17 0.00 0.48 0.00 0.00 55.95 58.68 2pn8 s SER 152 Cb -0.18 -2.20 1.10 0.00 0.10 0.00 0.00 66.02 64.85 2pn8 s SER 152 CO 0.50 -2.04 2.01 0.06 0.98 0.00 0.00 173.24 174.74 2pn8 h GLN 153 N -1.14 0.00 -0.41 4.02 -0.00 -1.94 -1.45 115.11 114.20 2pn8 h GLN 153 Ca -0.47 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.04 2pn8 h GLN 153 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.73 2pn8 h GLN 153 CO 0.57 0.17 -0.30 0.74 -0.00 0.00 0.00 178.83 180.01 2pn8 h PHE 154 N 0.00 1.06 -0.32 0.06 0.04 -1.99 -0.98 116.94 114.81 2pn8 h PHE 154 Ca -0.00 -0.29 -0.10 0.00 2.80 0.00 0.00 57.97 60.38 2pn8 h PHE 154 Cb 0.32 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 2pn8 h PHE 154 CO 0.00 1.09 -0.20 1.15 -0.60 0.00 0.00 178.31 179.75 2pn8 h THR 155 N 0.76 1.29 -0.28 -1.55 2.02 -1.85 -1.33 112.91 111.98 2pn8 h THR 155 Ca 0.08 -1.33 0.06 0.00 0.77 0.00 0.00 66.41 66.00 2pn8 h THR 155 Cb 0.88 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 68.68 2pn8 h THR 155 CO 0.08 0.43 -0.12 0.45 0.37 0.00 0.00 175.52 176.72 2pn8 h HIS 156 N 0.46 -0.29 -0.49 3.16 3.86 -1.16 0.63 115.15 121.31 2pn8 h HIS 156 Ca 0.07 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 2pn8 h HIS 156 Cb 0.74 0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.36 2pn8 h HIS 156 CO 0.06 -0.19 0.21 1.25 0.86 0.00 0.00 177.93 180.12 2pn8 h LEU 157 N -0.08 0.67 -1.15 2.43 5.85 -1.12 -0.06 115.31 121.86 2pn8 h LEU 157 Ca 0.15 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.77 2pn8 h LEU 157 Cb 0.30 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2pn8 h LEU 157 CO -0.34 0.65 0.59 0.00 -0.34 0.00 0.00 178.44 179.00 2pn8 h ALA 158 N 1.05 1.52 -0.29 1.25 0.00 -0.85 -0.32 119.26 121.61 2pn8 h ALA 158 Ca 0.17 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 2pn8 h ALA 158 Cb 0.18 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2pn8 h ALA 158 CO -0.02 0.35 -0.37 2.35 0.00 0.00 0.00 179.25 181.56 2pn8 h TRP 159 N 1.02 0.94 -0.81 0.00 7.01 -0.36 -2.40 115.95 121.36 2pn8 h TRP 159 Ca 0.39 -0.30 0.03 0.00 2.11 0.00 0.00 58.89 61.12 2pn8 h TRP 159 Cb 0.20 -0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 27.02 2pn8 h TRP 159 CO -0.00 1.08 0.52 0.82 -2.79 0.00 0.00 178.44 178.07 2pn8 h ILE 160 N 0.53 1.12 0.00 2.65 2.04 -0.70 -1.83 117.51 121.32 2pn8 h ILE 160 Ca 0.04 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2pn8 h ILE 160 Cb 0.96 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2pn8 h ILE 160 CO 0.09 0.18 0.00 0.59 0.00 0.00 0.00 178.15 179.01 2pn8 n ASN 161 N -4.59 0.00 -4.78 1.72 3.02 -0.16 -2.18 115.26 108.29 2pn8 n ASN 161 Ca 0.10 -1.38 -0.36 0.00 -0.03 0.00 0.00 54.58 52.91 2pn8 n ASN 161 Cb 0.09 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.19 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 -2.00 5.35 0.58 3.41 2.01 -0.74 -4.99 115.64 119.26 2pn8 s THR 162 Ca 0.17 0.41 -0.20 0.00 0.31 0.00 0.00 61.69 62.38 2pn8 s THR 162 Cb 0.08 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 2pn8 s THR 162 CO 0.13 0.49 1.28 -2.84 -0.69 0.00 0.00 174.62 173.00 2pn8 s PRO 163 N -0.18 2.99 0.34 4.92 0.02 -1.26 -2.62 135.00 139.21 2pn8 s PRO 163 Ca 0.15 2.04 0.07 0.00 0.02 0.00 0.00 61.00 63.29 2pn8 s PRO 163 Cb -0.13 -2.07 0.77 0.00 0.02 0.00 0.00 34.50 33.09 2pn8 s PRO 163 CO 0.04 -1.25 1.85 0.00 -0.33 0.00 0.00 177.00 177.31 2pn8 h ARG 164 N 1.12 0.73 0.00 5.54 3.08 -1.85 -1.19 114.38 121.81 2pn8 h ARG 164 Ca -0.51 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.50 2pn8 h ARG 164 Cb 1.31 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2pn8 h ARG 164 CO 0.56 0.48 0.00 0.54 -1.07 0.00 0.00 179.97 180.48 2pn8 n ARG 165 N -4.59 0.16 -0.37 0.04 1.74 -1.26 -1.60 116.66 110.78 2pn8 n ARG 165 Ca 0.18 0.50 0.10 0.00 -0.77 0.00 0.00 57.85 57.86 2pn8 n ARG 165 Cb 0.46 -1.87 0.28 0.00 -1.02 0.00 0.00 32.46 30.31 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 -2.18 2.96 -0.62 5.56 1.13 -0.60 -4.94 117.38 118.68 2pn8 n GLN 166 Ca 0.01 -2.55 0.00 0.00 -1.94 0.00 0.00 57.00 52.52 2pn8 n GLN 166 Cb 0.14 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 28.94 2pn8 n GLN 166 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pn8 n GLY 167 N 1.16 0.66 1.98 1.08 0.00 -0.63 -4.97 105.19 104.47 2pn8 n GLY 167 Ca 0.21 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2pn8 n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pn8 n GLY 168 N -2.62 -0.32 0.10 -0.02 0.00 -0.55 -4.76 105.19 97.01 2pn8 n GLY 168 Ca 0.00 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 2pn8 n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pn8 n LEU 169 N 0.00 0.15 0.00 0.99 4.77 -0.91 -4.13 117.00 117.87 2pn8 n LEU 169 Ca 0.08 -0.01 0.04 0.00 -0.03 0.00 0.00 56.01 56.10 2pn8 n LEU 169 Cb 0.30 0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.80 2pn8 n LEU 169 CO 0.21 0.51 -0.06 0.61 -1.33 0.00 0.00 177.39 177.33 2pn8 n GLY 170 N 1.80 -1.46 3.75 -0.72 0.00 -0.92 -4.72 105.19 102.92 2pn8 n GLY 170 Ca -0.33 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.08 2.49 -3.97 1.61 -0.02 -1.26 -4.70 135.00 127.07 2pn8 n PRO 171 Ca 0.00 0.88 -0.14 0.00 -2.02 0.00 0.00 63.50 62.22 2pn8 n PRO 171 Cb 0.15 -2.56 -0.14 0.00 -0.02 0.00 0.00 33.50 30.92 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 -0.96 0.16 -2.64 4.25 1.10 -1.26 -5.04 121.20 116.81 2pn8 s ILE 172 Ca 0.55 -0.06 0.23 0.00 -0.51 0.00 0.00 60.65 60.87 2pn8 s ILE 172 Cb -0.51 -0.16 0.34 0.00 0.15 0.00 0.00 42.46 42.28 2pn8 s ILE 172 CO 0.61 0.06 1.35 0.54 -2.11 0.00 0.00 174.94 175.39 2pn8 n ARG 173 N 3.21 2.44 -3.70 3.50 1.74 -1.26 -4.52 116.66 118.07 2pn8 n ARG 173 Ca -0.15 -2.16 -0.35 0.00 -0.77 0.00 0.00 57.85 54.41 2pn8 n ARG 173 Cb 0.58 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.45 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 -1.65 5.39 0.32 0.55 1.01 -1.26 -4.97 121.20 120.59 2pn8 s ILE 174 Ca 0.35 0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.96 2pn8 s ILE 174 Cb 0.22 -3.50 -0.12 0.00 0.01 0.00 0.00 42.46 39.07 2pn8 s ILE 174 CO 0.31 0.43 1.52 -2.65 0.00 0.00 0.00 174.94 174.55 2pn8 n PRO 175 N 3.55 2.60 -3.53 2.79 -0.02 -1.26 -4.88 135.00 134.25 2pn8 n PRO 175 Ca -0.15 0.92 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 2pn8 n PRO 175 Cb 0.52 -2.66 -0.09 0.00 -0.02 0.00 0.00 33.50 31.25 2pn8 n PRO 175 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pn8 s LEU 176 N -1.06 5.35 0.18 2.45 1.43 -0.90 -1.93 118.68 124.20 2pn8 s LEU 176 Ca 0.60 -1.48 -0.28 0.00 -1.03 0.00 0.00 54.13 51.94 2pn8 s LEU 176 Cb -0.51 -2.05 -0.08 0.00 0.03 0.00 0.00 46.19 43.58 2pn8 s LEU 176 CO 0.55 -0.59 0.86 -0.22 0.23 0.00 0.00 176.35 177.19 2pn8 s LEU 177 N 1.49 4.59 -0.16 1.79 2.96 0.36 -0.95 118.68 128.77 2pn8 s LEU 177 Ca 0.03 1.77 -0.08 0.00 -0.22 0.00 0.00 54.13 55.63 2pn8 s LEU 177 Cb -0.24 -3.45 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2pn8 s LEU 177 CO 0.03 0.14 0.12 -0.55 -1.32 0.00 0.00 176.35 174.78 2pn8 s SER 178 N -0.92 6.18 -0.44 3.68 0.15 -0.13 -2.46 113.70 119.77 2pn8 s SER 178 Ca 0.39 0.31 0.09 0.00 0.70 0.00 0.00 55.95 57.44 2pn8 s SER 178 Cb -0.24 -2.04 0.40 0.00 -1.71 0.00 0.00 66.02 62.42 2pn8 s SER 178 CO 0.29 0.28 0.97 -0.67 1.20 0.00 0.00 173.24 175.30 2pn8 n ASP 179 N 2.86 3.24 -0.35 5.45 2.03 0.26 -4.45 116.55 125.59 2pn8 n ASP 179 Ca -0.18 -3.36 0.13 0.00 0.52 0.00 0.00 54.79 51.90 2pn8 n ASP 179 Cb 0.53 -0.53 0.32 0.00 -0.72 0.00 0.00 41.12 40.72 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 2.85 0.79 -0.09 -2.67 3.38 -1.76 -0.78 115.31 117.03 2pn8 h LEU 180 Ca 0.13 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2pn8 h LEU 180 Cb 0.88 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2pn8 h LEU 180 CO 0.70 0.28 0.00 0.35 0.09 0.00 0.00 178.44 179.87 2pn8 n THR 181 N -4.76 0.51 -0.91 0.22 -2.24 -1.26 -4.91 114.28 100.93 2pn8 n THR 181 Ca 0.23 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2pn8 n THR 181 Cb 0.57 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 2pn8 n THR 181 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2pn8 n HIS 182 N -2.05 0.00 -0.22 4.78 8.25 -0.30 -4.91 115.22 120.77 2pn8 n HIS 182 Ca 0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.43 2pn8 n HIS 182 Cb 0.37 -0.50 0.04 0.00 1.12 0.00 0.00 29.99 31.02 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 1.57 1.09 -0.21 -0.41 5.75 -1.91 -0.68 115.11 120.31 2pn8 h GLN 183 Ca 0.00 -0.33 -0.05 0.00 -0.15 0.00 0.00 58.65 58.13 2pn8 h GLN 183 Cb 0.11 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 2pn8 h GLN 183 CO 0.00 1.04 -0.05 0.82 -2.65 0.00 0.00 178.83 177.98 2pn8 h ILE 184 N 1.00 1.29 -0.61 2.39 2.04 -1.90 -0.80 117.51 120.92 2pn8 h ILE 184 Ca 0.18 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 65.01 2pn8 h ILE 184 Cb 0.52 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2pn8 h ILE 184 CO 0.02 0.32 0.40 0.28 0.00 0.00 0.00 178.15 179.17 2pn8 h SER 185 N 0.12 0.68 -0.46 1.72 0.02 -1.89 -1.94 113.55 111.80 2pn8 h SER 185 Ca 0.05 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 2pn8 h SER 185 Cb 0.51 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 2pn8 h SER 185 CO 0.02 0.49 -0.13 0.11 -1.14 0.00 0.00 176.83 176.18 2pn8 h LYS 186 N 0.80 0.95 0.00 3.45 1.57 -0.99 -1.53 116.57 120.81 2pn8 h LYS 186 Ca 0.23 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2pn8 h LYS 186 Cb -0.07 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 2pn8 h LYS 186 CO -0.06 1.02 -0.07 -0.44 -0.57 0.00 0.00 179.45 179.33 2pn8 h ASP 187 N 0.84 0.00 0.08 0.86 3.32 -0.77 -2.06 116.42 118.70 2pn8 h ASP 187 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2pn8 h ASP 187 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2pn8 h ASP 187 CO 0.05 0.07 -0.21 -1.22 -1.72 0.00 0.00 179.24 176.21 2pn8 n TYR 188 N -4.36 0.00 -2.49 4.55 4.02 -0.76 -4.85 117.16 113.26 2pn8 n TYR 188 Ca -0.03 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.71 2pn8 n TYR 188 Cb 0.15 -0.05 0.01 0.00 -0.02 0.00 0.00 39.34 39.43 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 1.32 -0.23 0.19 2.72 0.00 -0.72 -4.91 105.19 103.56 2pn8 n GLY 189 Ca 0.13 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.07 0.00 -2.56 1.61 0.24 -0.66 -5.01 118.33 107.87 2pn8 n VAL 190 Ca -0.14 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.25 2pn8 n VAL 190 Cb 0.62 1.10 -0.03 0.00 -1.47 0.00 0.00 33.84 34.05 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 -0.54 3.57 -0.41 6.34 5.04 -1.19 -1.56 117.35 128.59 2pn8 s TYR 191 Ca 0.06 1.52 -0.16 0.00 -2.44 0.00 0.00 57.07 56.05 2pn8 s TYR 191 Cb 0.04 -3.26 0.02 0.00 0.35 0.00 0.00 41.96 39.11 2pn8 s TYR 191 CO 0.08 -0.61 0.39 -0.51 -1.34 0.00 0.00 175.55 173.55 2pn8 s LEU 192 N 0.78 4.92 0.33 6.97 1.43 -0.21 -4.95 118.68 127.95 2pn8 s LEU 192 Ca 0.54 -0.73 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 2pn8 s LEU 192 Cb -0.26 -2.31 0.56 0.00 0.03 0.00 0.00 46.19 44.22 2pn8 s LEU 192 CO 0.30 -0.52 1.88 -0.33 0.23 0.00 0.00 176.35 177.90 2pn8 h GLU 193 N 8.68 0.64 0.00 1.70 4.39 -1.95 -0.79 114.58 127.24 2pn8 h GLU 193 Ca -0.27 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.20 2pn8 h GLU 193 Cb 1.12 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 2pn8 h GLU 193 CO 0.77 0.60 -0.54 0.38 -1.16 0.00 0.00 179.01 179.05 2pn8 h ASP 194 N 0.62 0.00 0.00 1.42 2.03 -1.95 -3.36 116.42 115.19 2pn8 h ASP 194 Ca 0.14 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.26 2pn8 h ASP 194 Cb 0.26 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.73 2pn8 h ASP 194 CO -0.00 0.54 -2.03 -1.20 -1.03 0.00 0.00 179.24 175.52 2pn8 n SER 195 N -3.55 0.81 -0.28 4.15 7.64 -0.93 -5.01 113.62 116.45 2pn8 n SER 195 Ca -0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.84 2pn8 n SER 195 Cb 0.62 1.30 -0.01 0.00 -1.01 0.00 0.00 64.21 65.11 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 1.75 0.56 3.64 0.23 0.00 -0.35 -5.02 105.19 106.00 2pn8 n GLY 196 Ca -0.18 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.13 0.59 0.57 1.61 -3.43 -1.25 -4.95 115.29 106.29 2pn8 s HIS 197 Ca 0.00 -1.02 -0.06 0.00 -0.80 0.00 0.00 55.06 53.19 2pn8 s HIS 197 Cb 0.00 0.35 -0.00 0.00 -1.43 0.00 0.00 32.58 31.49 2pn8 s HIS 197 CO 0.00 -1.31 0.88 0.95 -2.00 0.00 0.00 174.74 173.25 2pn8 s THR 198 N -2.83 3.90 0.53 -5.38 -4.23 -1.26 -1.05 115.64 105.31 2pn8 s THR 198 Ca 0.23 0.03 -0.09 0.00 -1.18 0.00 0.00 61.69 60.69 2pn8 s THR 198 Cb -0.03 -3.53 0.12 0.00 1.34 0.00 0.00 72.50 70.40 2pn8 s THR 198 CO 0.15 -0.54 0.71 0.00 -0.54 0.00 0.00 174.62 174.41 2pn8 n LEU 199 N -2.51 0.00 -4.50 4.79 -0.00 -0.60 -3.96 117.00 110.22 2pn8 n LEU 199 Ca 0.04 -0.82 -0.44 0.00 -0.00 0.00 0.00 56.01 54.79 2pn8 n LEU 199 Cb 0.57 -0.54 -0.01 0.00 -0.00 0.00 0.00 43.42 43.44 2pn8 n LEU 199 CO 0.53 -1.00 1.50 -0.13 -0.00 0.00 0.00 177.39 178.29 2pn8 s ARG 200 N -4.54 3.97 -0.22 1.47 0.52 -0.93 -4.28 118.95 114.94 2pn8 s ARG 200 Ca 0.41 -2.24 -0.06 0.00 -0.52 0.00 0.00 55.73 53.32 2pn8 s ARG 200 Cb -0.01 -5.19 -0.03 0.00 0.52 0.00 0.00 34.95 30.24 2pn8 s ARG 200 CO 0.29 -1.92 0.03 0.20 0.02 0.00 0.00 175.30 173.91 2pn8 s GLY 201 N 3.43 1.74 -0.03 -3.53 0.00 -1.20 -1.07 107.32 106.66 2pn8 s GLY 201 Ca 0.45 -1.04 0.07 0.00 0.00 0.00 0.00 44.72 44.20 2pn8 s GLY 201 CO 0.00 0.35 -0.25 -2.27 0.00 0.00 0.00 173.10 170.94 2pn8 s LEU 202 N 1.22 2.05 -0.06 0.66 0.20 0.63 -0.06 118.68 123.32 2pn8 s LEU 202 Ca 0.04 -0.47 0.02 0.00 0.69 0.00 0.00 54.13 54.41 2pn8 s LEU 202 Cb -0.15 -1.31 0.01 0.00 -0.43 0.00 0.00 46.19 44.32 2pn8 s LEU 202 CO 0.02 0.28 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.88 2pn8 s PHE 203 N -0.40 1.36 -0.28 5.38 0.08 0.22 -0.85 117.98 123.50 2pn8 s PHE 203 Ca 0.04 -0.48 -0.09 0.00 0.12 0.00 0.00 56.93 56.52 2pn8 s PHE 203 Cb -0.11 -1.01 -0.02 0.00 -0.57 0.00 0.00 43.02 41.31 2pn8 s PHE 203 CO 0.01 -0.25 0.12 0.42 -0.10 0.00 0.00 175.22 175.42 2pn8 s ILE 204 N 0.64 4.53 -0.12 0.64 1.01 -0.47 -0.55 121.20 126.88 2pn8 s ILE 204 Ca -0.13 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.25 2pn8 s ILE 204 Cb -0.15 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 2pn8 s ILE 204 CO 0.03 0.19 -0.19 -0.63 0.00 0.00 0.00 174.94 174.34 2pn8 s ILE 205 N 1.62 2.52 0.99 2.92 1.01 -0.19 -0.36 121.20 129.70 2pn8 s ILE 205 Ca 0.05 -0.85 -0.16 0.00 0.00 0.00 0.00 60.65 59.69 2pn8 s ILE 205 Cb -0.16 -2.01 0.22 0.00 0.01 0.00 0.00 42.46 40.52 2pn8 s ILE 205 CO 0.06 0.54 1.35 1.51 0.00 0.00 0.00 174.94 178.39 2pn8 s ASP 206 N 0.39 2.86 0.60 3.58 1.47 -0.12 -0.70 116.67 124.76 2pn8 s ASP 206 Ca -0.14 0.15 0.38 0.00 1.18 0.00 0.00 52.55 54.11 2pn8 s ASP 206 Cb -0.17 -0.11 1.87 0.00 -0.34 0.00 0.00 42.92 44.18 2pn8 s ASP 206 CO 0.07 -2.88 2.17 -2.24 0.68 0.00 0.00 175.17 172.97 2pn8 h ASP 207 N -1.74 0.00 -0.34 2.11 2.03 -1.88 -1.82 116.42 114.78 2pn8 h ASP 207 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2pn8 h ASP 207 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 2pn8 h ASP 207 CO 0.32 0.01 0.00 0.29 -1.03 0.00 0.00 179.24 178.84 2pn8 n LYS 208 N -3.14 2.01 -1.01 4.15 5.02 -1.26 -1.12 118.16 122.80 2pn8 n LYS 208 Ca -0.01 -1.54 -0.00 0.00 -2.02 0.00 0.00 58.31 54.73 2pn8 n LYS 208 Cb 0.19 -1.39 -0.00 0.00 -0.02 0.00 0.00 35.03 33.80 2pn8 n LYS 208 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pn8 n GLY 209 N 1.24 0.47 3.80 0.72 0.00 -0.68 -5.01 105.19 105.73 2pn8 n GLY 209 Ca 0.16 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.98 4.93 -0.12 -0.61 -1.09 -1.26 -0.84 121.20 120.23 2pn8 s ILE 210 Ca 0.00 1.03 -0.30 0.00 -2.23 0.00 0.00 60.65 59.16 2pn8 s ILE 210 Cb 0.00 -3.82 -0.01 0.00 -1.58 0.00 0.00 42.46 37.05 2pn8 s ILE 210 CO 0.00 0.52 1.07 -0.22 -1.23 0.00 0.00 174.94 175.08 2pn8 s LEU 211 N -0.76 4.22 -0.05 2.97 2.96 -0.40 -0.95 118.68 126.67 2pn8 s LEU 211 Ca 0.27 1.58 0.10 0.00 -0.22 0.00 0.00 54.13 55.86 2pn8 s LEU 211 Cb -0.18 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 42.80 2pn8 s LEU 211 CO 0.15 -0.54 0.16 0.54 -1.32 0.00 0.00 176.35 175.35 2pn8 n ARG 212 N 5.39 1.09 -3.66 1.98 5.12 0.51 -4.61 116.66 122.49 2pn8 n ARG 212 Ca 0.10 -0.06 -0.13 0.00 -1.93 0.00 0.00 57.85 55.83 2pn8 n ARG 212 Cb 0.47 -1.27 -0.08 0.00 -1.16 0.00 0.00 32.46 30.43 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 -2.58 0.72 -0.09 5.56 -0.44 -1.16 -4.99 119.66 116.68 2pn8 s GLN 213 Ca -0.04 0.89 0.01 0.00 -2.50 0.00 0.00 55.36 53.72 2pn8 s GLN 213 Cb 0.06 0.33 0.02 0.00 -1.64 0.00 0.00 33.01 31.77 2pn8 s GLN 213 CO 0.45 -0.09 -0.12 0.42 0.50 0.00 0.00 175.29 176.44 2pn8 s ILE 214 N 0.47 1.26 -0.20 -2.34 1.01 -1.26 -1.37 121.20 118.76 2pn8 s ILE 214 Ca -0.01 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.15 2pn8 s ILE 214 Cb -0.05 -1.17 0.04 0.00 0.01 0.00 0.00 42.46 41.29 2pn8 s ILE 214 CO -0.01 0.39 -0.15 -0.89 0.00 0.00 0.00 174.94 174.28 2pn8 s THR 215 N 1.02 1.99 -0.23 2.92 2.01 -0.03 -4.99 115.64 118.33 2pn8 s THR 215 Ca -0.07 -1.13 0.01 0.00 0.31 0.00 0.00 61.69 60.81 2pn8 s THR 215 Cb -0.15 -1.93 0.03 0.00 0.01 0.00 0.00 72.50 70.47 2pn8 s THR 215 CO -0.01 0.31 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.35 2pn8 s LEU 216 N 1.27 2.91 -0.09 4.42 1.43 -1.26 -0.27 118.68 127.09 2pn8 s LEU 216 Ca -0.00 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.14 2pn8 s LEU 216 Cb -0.16 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 2pn8 s LEU 216 CO -0.10 -0.10 -0.04 0.20 0.23 0.00 0.00 176.35 176.54 2pn8 s ASN 217 N 1.25 4.88 0.89 2.29 -0.87 -0.23 -5.01 114.94 118.13 2pn8 s ASN 217 Ca -0.01 0.01 -0.11 0.00 -1.57 0.00 0.00 52.86 51.19 2pn8 s ASN 217 Cb -0.16 -1.40 0.13 0.00 -0.02 0.00 0.00 41.25 39.80 2pn8 s ASN 217 CO -0.07 0.33 1.15 -0.62 -2.57 0.00 0.00 177.10 175.32 2pn8 s ASP 218 N -0.60 3.14 0.33 -1.22 2.15 -1.26 -2.20 116.67 117.00 2pn8 s ASP 218 Ca 0.09 2.20 0.04 0.00 0.43 0.00 0.00 52.55 55.31 2pn8 s ASP 218 Cb -0.12 -2.57 0.65 0.00 -0.30 0.00 0.00 42.92 40.59 2pn8 s ASP 218 CO 0.02 -2.96 1.90 -0.07 -0.17 0.00 0.00 175.17 173.89 2pn8 h LEU 219 N -1.66 0.79 -0.09 -1.34 3.38 -1.98 -3.12 115.31 111.30 2pn8 h LEU 219 Ca -0.44 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2pn8 h LEU 219 Cb 1.27 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2pn8 h LEU 219 CO 0.43 0.48 -0.00 -0.81 0.09 0.00 0.00 178.44 178.62 2pn8 n PRO 220 N -4.52 1.03 -3.97 1.13 -0.04 -1.26 -4.74 135.00 122.63 2pn8 n PRO 220 Ca 0.14 -0.09 -0.29 0.00 -0.04 0.00 0.00 63.50 63.23 2pn8 n PRO 220 Cb 0.29 -1.50 -0.16 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 -2.03 1.40 0.73 0.52 1.01 -1.18 -5.03 120.40 115.82 2pn8 s VAL 221 Ca 0.46 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 2pn8 s VAL 221 Cb 0.22 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 35.20 2pn8 s VAL 221 CO 0.37 0.29 1.10 -0.83 0.00 0.00 0.00 175.10 176.04 2pn8 s GLY 222 N 1.53 1.89 0.83 4.51 0.00 -1.26 -4.75 107.32 110.07 2pn8 s GLY 222 Ca 0.02 0.41 -0.11 0.00 0.00 0.00 0.00 44.72 45.04 2pn8 s GLY 222 CO -0.09 0.76 1.13 0.54 0.00 0.00 0.00 173.10 175.44 2pn8 n ARG 223 N -3.06 -0.84 -4.22 2.90 1.74 -1.26 -5.09 116.66 106.82 2pn8 n ARG 223 Ca 0.10 -2.09 -0.32 0.00 -0.77 0.00 0.00 57.85 54.76 2pn8 n ARG 223 Cb 0.52 -1.06 -0.16 0.00 -1.02 0.00 0.00 32.46 30.74 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 -5.27 2.99 0.13 0.55 0.15 -1.26 -5.01 113.70 105.98 2pn8 s SER 224 Ca 0.67 -0.59 -0.14 0.00 0.70 0.00 0.00 55.95 56.59 2pn8 s SER 224 Cb -0.02 -1.39 -0.01 0.00 -1.71 0.00 0.00 66.02 62.89 2pn8 s SER 224 CO 0.46 0.00 1.58 0.58 1.20 0.00 0.00 173.24 177.06 2pn8 h VAL 225 N 5.94 1.26 -0.43 4.45 2.07 -1.97 -1.83 116.25 125.75 2pn8 h VAL 225 Ca -0.41 -1.03 0.08 0.00 0.82 0.00 0.00 66.70 66.16 2pn8 h VAL 225 Cb 1.15 1.10 -0.08 0.00 -1.52 0.00 0.00 31.29 31.94 2pn8 h VAL 225 CO 0.59 0.35 -0.06 0.44 0.02 0.00 0.00 177.57 178.91 2pn8 h ASP 226 N 0.58 -0.30 0.00 0.57 3.32 -1.99 -0.16 116.42 118.44 2pn8 h ASP 226 Ca 0.12 0.12 -0.13 0.00 0.02 0.00 0.00 57.03 57.15 2pn8 h ASP 226 Cb 0.49 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2pn8 h ASP 226 CO 0.02 -0.11 -0.42 -0.08 -1.72 0.00 0.00 179.24 176.94 2pn8 h GLU 227 N 0.04 0.52 -0.44 3.56 4.57 -1.97 -1.57 114.58 119.29 2pn8 h GLU 227 Ca 0.21 -0.27 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 2pn8 h GLU 227 Cb 0.31 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 2pn8 h GLU 227 CO -0.40 0.85 0.11 1.15 -1.18 0.00 0.00 179.01 179.53 2pn8 h THR 228 N 0.42 1.23 -0.63 0.32 2.02 -0.94 -1.61 112.91 113.72 2pn8 h THR 228 Ca 0.03 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 2pn8 h THR 228 Cb 0.91 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 2pn8 h THR 228 CO 0.08 0.29 0.32 0.25 0.37 0.00 0.00 175.52 176.82 2pn8 h LEU 229 N 0.58 0.82 -0.61 2.58 5.85 -0.90 -1.39 115.31 122.25 2pn8 h LEU 229 Ca 0.14 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.79 2pn8 h LEU 229 Cb 0.32 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 2pn8 h LEU 229 CO 0.00 0.71 0.33 -0.09 -0.34 0.00 0.00 178.44 179.05 2pn8 h ARG 230 N 0.87 0.59 -0.27 1.25 2.43 -1.03 -0.38 114.38 117.85 2pn8 h ARG 230 Ca 0.22 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2pn8 h ARG 230 Cb 0.10 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2pn8 h ARG 230 CO -0.03 0.39 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.68 2pn8 h LEU 231 N 0.61 0.52 -0.43 3.80 3.38 -1.03 -0.74 115.31 121.42 2pn8 h LEU 231 Ca 0.28 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.92 2pn8 h LEU 231 Cb 0.18 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2pn8 h LEU 231 CO -0.18 0.77 0.18 0.58 0.09 0.00 0.00 178.44 179.88 2pn8 h VAL 232 N 0.26 0.91 -0.67 1.22 2.07 -1.03 0.17 116.25 119.19 2pn8 h VAL 232 Ca 0.07 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2pn8 h VAL 232 Cb 0.55 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2pn8 h VAL 232 CO 0.03 0.07 0.44 1.56 0.02 0.00 0.00 177.57 179.69 2pn8 h GLN 233 N 0.37 0.87 -0.31 1.57 4.20 -0.87 -0.46 115.11 120.48 2pn8 h GLN 233 Ca 0.19 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 2pn8 h GLN 233 Cb 0.15 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2pn8 h GLN 233 CO -0.17 0.58 0.01 0.00 -0.67 0.00 0.00 178.83 178.58 2pn8 h ALA 234 N 1.25 0.42 -0.51 3.87 0.00 -0.67 0.35 119.26 123.97 2pn8 h ALA 234 Ca 0.25 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2pn8 h ALA 234 Cb -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2pn8 h ALA 234 CO -0.06 0.15 0.03 0.74 0.00 0.00 0.00 179.25 180.11 2pn8 h PHE 235 N 0.34 0.94 -0.91 0.00 0.04 -0.73 -0.56 116.94 116.07 2pn8 h PHE 235 Ca 0.09 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 2pn8 h PHE 235 Cb 0.41 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.27 2pn8 h PHE 235 CO 0.03 0.87 0.54 1.96 -0.60 0.00 0.00 178.31 181.11 2pn8 h GLN 236 N 0.74 1.24 -0.11 1.51 4.20 -1.00 -0.11 115.11 121.58 2pn8 h GLN 236 Ca 0.15 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2pn8 h GLN 236 Cb 0.47 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 2pn8 h GLN 236 CO 0.02 0.87 0.01 -0.92 -0.67 0.00 0.00 178.83 178.15 2pn8 h TYR 237 N 1.25 0.20 0.00 2.96 5.03 -0.59 -2.33 116.97 123.49 2pn8 h TYR 237 Ca 0.32 -0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.53 2pn8 h TYR 237 Cb -0.04 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.18 2pn8 h TYR 237 CO 0.00 0.39 -0.37 1.79 -1.32 0.00 0.00 178.16 178.66 2pn8 h THR 238 N -0.05 1.20 -0.64 1.81 1.35 -1.01 -0.82 112.91 114.75 2pn8 h THR 238 Ca 0.03 -1.29 0.01 0.00 -0.55 0.00 0.00 66.41 64.61 2pn8 h THR 238 Cb 0.30 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 68.40 2pn8 h THR 238 CO 0.00 0.36 0.42 0.44 -0.25 0.00 0.00 175.52 176.49 2pn8 h ASP 239 N 0.00 0.73 0.61 5.36 3.32 -0.87 -2.07 116.42 123.50 2pn8 h ASP 239 Ca -0.00 -0.02 -0.28 0.00 0.02 0.00 0.00 57.03 56.75 2pn8 h ASP 239 Cb 0.68 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2pn8 h ASP 239 CO 0.05 0.53 -1.28 0.50 -1.72 0.00 0.00 179.24 177.31 2pn8 h LYS 240 N 0.86 0.27 0.00 3.56 3.64 -0.90 -3.40 116.57 120.60 2pn8 h LYS 240 Ca 0.23 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2pn8 h LYS 240 Cb -0.10 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2pn8 h LYS 240 CO -0.05 1.21 -1.35 0.72 -2.27 0.00 0.00 179.45 177.70 2pn8 n HIS 241 N -3.52 0.00 -0.25 1.91 8.25 -0.36 -5.00 115.22 116.24 2pn8 n HIS 241 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2pn8 n HIS 241 Cb 1.03 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.95 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 2.00 2.00 3.81 -1.41 0.00 -0.78 -4.98 105.19 105.83 2pn8 n GLY 242 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.05 2.55 0.21 1.61 2.02 -1.26 -4.64 118.70 119.13 2pn8 s GLU 243 Ca 0.00 0.88 0.09 0.00 0.02 0.00 0.00 54.97 55.96 2pn8 s GLU 243 Cb 0.00 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 2pn8 s GLU 243 CO 0.00 -1.35 -0.09 0.14 0.02 0.00 0.00 175.26 173.98 2pn8 s VAL 244 N -3.06 3.16 -0.34 2.63 -7.23 -0.06 -4.50 120.40 111.00 2pn8 s VAL 244 Ca 0.59 -1.79 -0.11 0.00 -1.81 0.00 0.00 61.98 58.87 2pn8 s VAL 244 Cb -0.15 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.20 2pn8 s VAL 244 CO 0.55 -0.19 0.19 0.00 -0.31 0.00 0.00 175.10 175.34 2pn8 n PRO 246 N 5.01 -1.79 -1.55 0.00 -0.02 -1.26 -4.85 135.00 130.53 2pn8 n PRO 246 Ca -0.13 -0.49 -0.53 0.00 -2.02 0.00 0.00 63.50 60.34 2pn8 n PRO 246 Cb 0.48 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.78 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 -4.67 -1.74 -0.98 3.55 0.00 -1.26 -1.99 120.51 113.42 2pn8 n ALA 247 Ca 0.05 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2pn8 n ALA 247 Cb 0.55 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 2.11 0.58 3.63 0.00 0.00 -1.26 -4.96 105.19 105.29 2pn8 n GLY 248 Ca 0.18 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.58 1.78 -4.25 1.61 -0.00 -0.84 -5.01 117.44 108.14 2pn8 n TRP 249 Ca 0.00 0.53 -0.14 0.00 -0.00 0.00 0.00 57.50 57.89 2pn8 n TRP 249 Cb 0.05 -2.38 -0.10 0.00 -0.00 0.00 0.00 31.31 28.87 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 -0.28 1.07 0.13 5.87 1.02 -1.26 -4.96 119.74 121.33 2pn8 s LYS 250 Ca 0.72 -1.46 -0.34 0.00 0.02 0.00 0.00 55.97 54.90 2pn8 s LYS 250 Cb -0.75 -0.62 -0.16 0.00 -0.52 0.00 0.00 37.83 35.78 2pn8 s LYS 250 CO 0.50 0.07 1.19 -2.30 -0.92 0.00 0.00 175.35 173.89 2pn8 n PRO 251 N -0.20 1.04 0.00 -1.68 -0.02 -1.26 -0.96 135.00 131.91 2pn8 n PRO 251 Ca -0.10 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2pn8 n PRO 251 Cb 0.61 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 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 2.13 3.26 3.84 -1.23 0.00 -1.26 -5.08 105.19 106.86 2pn8 n GLY 252 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.07 5.80 0.45 1.61 0.01 -0.13 -5.02 113.70 115.35 2pn8 s SER 253 Ca 0.00 1.52 -0.23 0.00 1.31 0.00 0.00 55.95 58.55 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 -1.16 1.17 -1.61 0.41 0.00 0.00 173.24 172.05 2pn8 s GLU 254 N -5.11 3.79 0.47 12.44 2.02 -1.26 -4.95 118.70 126.10 2pn8 s GLU 254 Ca 0.57 1.78 0.04 0.00 0.02 0.00 0.00 54.97 57.38 2pn8 s GLU 254 Cb -0.13 -2.43 -0.03 0.00 0.10 0.00 0.00 34.13 31.65 2pn8 s GLU 254 CO 0.54 -0.53 0.11 0.95 0.02 0.00 0.00 175.26 176.36 2pn8 s THR 255 N -1.53 1.68 -0.04 3.63 -4.23 -1.26 -4.46 115.64 109.43 2pn8 s THR 255 Ca 0.63 -1.84 0.06 0.00 -1.18 0.00 0.00 61.69 59.36 2pn8 s THR 255 Cb -0.29 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.02 2pn8 s THR 255 CO 0.35 0.00 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.57 2pn8 s ILE 256 N -2.76 1.84 -0.25 2.99 1.01 -0.54 -4.74 121.20 118.75 2pn8 s ILE 256 Ca 0.25 -0.97 -0.29 0.00 0.00 0.00 0.00 60.65 59.64 2pn8 s ILE 256 Cb 0.03 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.97 2pn8 s ILE 256 CO 0.14 0.52 1.03 -0.63 0.00 0.00 0.00 174.94 175.99 2pn8 s ILE 257 N -0.29 4.65 -1.42 2.92 1.01 -1.26 -0.88 121.20 125.93 2pn8 s ILE 257 Ca 0.02 1.92 -0.11 0.00 0.00 0.00 0.00 60.65 62.48 2pn8 s ILE 257 Cb -0.11 -4.32 0.07 0.00 0.01 0.00 0.00 42.46 38.11 2pn8 s ILE 257 CO 0.01 -0.24 2.27 -0.81 0.00 0.00 0.00 174.94 176.17 2pn8 n PRO 258 N 6.43 3.47 -3.90 2.79 -0.04 -1.26 -2.58 135.00 139.91 2pn8 n PRO 258 Ca 0.11 -2.93 -0.11 0.00 -0.04 0.00 0.00 63.50 60.53 2pn8 n PRO 258 Cb 0.46 -3.00 -0.13 0.00 -0.04 0.00 0.00 33.50 30.79 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 1.91 0.06 0.54 3.54 2.15 -1.26 -5.01 116.67 118.59 2pn8 s ASP 259 Ca 0.50 -0.13 0.22 0.00 0.43 0.00 0.00 52.55 53.56 2pn8 s ASP 259 Cb 0.14 0.04 1.41 0.00 -0.30 0.00 0.00 42.92 44.21 2pn8 s ASP 259 CO -0.06 -0.09 2.09 -0.65 -0.17 0.00 0.00 175.17 176.29 2pn8 h PRO 260 N 5.69 0.00 0.00 4.34 0.11 -2.01 -1.03 132.00 139.10 2pn8 h PRO 260 Ca -0.26 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.73 2pn8 h PRO 260 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2pn8 h PRO 260 CO 0.48 0.00 -0.69 0.00 -0.21 0.00 0.00 178.00 177.58 2pn8 h ALA 261 N 1.86 0.14 0.00 -0.75 0.00 -1.97 -3.39 119.26 115.15 2pn8 h ALA 261 Ca 0.11 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 2pn8 h ALA 261 Cb 0.46 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2pn8 h ALA 261 CO -0.00 0.40 -0.04 0.78 0.00 0.00 0.00 179.25 180.39 2pn8 h GLY 262 N -1.00 0.00 2.00 0.00 0.00 -1.80 -2.65 103.07 99.62 2pn8 h GLY 262 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2pn8 h GLY 262 CO -0.11 0.00 -0.03 0.07 0.00 0.00 0.00 176.54 176.47 2pn8 h LYS 263 N 0.00 0.00 0.00 4.80 2.10 -0.92 -2.62 116.57 119.93 2pn8 h LYS 263 Ca -0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2pn8 h LYS 263 Cb 0.08 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2pn8 h LYS 263 CO 0.01 0.03 -0.03 -0.07 -2.00 0.00 0.00 179.45 177.38 2pn8 h LEU 264 N 0.00 0.00 -0.79 7.07 3.38 -1.70 -1.78 115.31 121.49 2pn8 h LEU 264 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2pn8 h LEU 264 Cb 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2pn8 h LEU 264 CO 0.00 0.03 0.51 0.50 0.09 0.00 0.00 178.44 179.58 2pn8 h LYS 265 N 0.00 0.97 0.08 1.13 3.64 -1.67 -0.06 116.57 120.66 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 0.29 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2pn8 h LYS 265 CO 0.00 0.64 -0.04 -0.92 -2.27 0.00 0.00 179.45 176.87 2pn8 h TYR 266 N 1.00 -0.10 -0.04 1.91 5.03 -1.53 -3.38 116.97 119.85 2pn8 h TYR 266 Ca 0.31 -0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.50 2pn8 h TYR 266 Cb -0.02 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 2pn8 h TYR 266 CO -0.03 0.42 -0.52 0.74 -1.32 0.00 0.00 178.16 177.46 2pn8 h PHE 267 N -0.72 0.14 0.00 -3.82 0.04 -1.26 -2.86 116.94 108.46 2pn8 h PHE 267 Ca -0.01 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 2pn8 h PHE 267 Cb 0.57 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.69 2pn8 h PHE 267 CO 0.11 0.61 -0.01 -0.44 -0.60 0.00 0.00 178.31 177.98 2pn8 h ASP 268 N 0.09 0.00 0.00 2.17 5.19 -1.18 -3.50 116.42 119.19 2pn8 h ASP 268 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2pn8 h ASP 268 Cb 0.95 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.46 2pn8 h ASP 268 CO 0.07 0.01 0.00 0.29 -3.12 0.00 0.00 179.24 176.49