#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 0.68 0.00 -3.48 0.08 -1.26 -5.12 117.98 108.88 2pn8 s PHE 80 Ca 0.00 -1.14 0.00 0.00 0.12 0.00 0.00 56.93 55.91 2pn8 s PHE 80 Cb 0.00 -0.43 0.00 0.00 -0.57 0.00 0.00 43.02 42.02 2pn8 s PHE 80 CO 0.00 -0.44 0.94 1.04 -0.10 0.00 0.00 175.22 176.66 2pn8 n GLN 81 N 0.02 0.00 -3.42 0.44 1.13 -1.26 -4.14 117.38 110.15 2pn8 n GLN 81 Ca -0.10 0.85 -0.28 0.00 -1.94 0.00 0.00 57.00 55.52 2pn8 n GLN 81 Cb 0.62 -1.44 -0.08 0.00 0.11 0.00 0.00 30.24 29.45 2pn8 n GLN 81 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2pn8 n SER 82 N -2.59 3.92 -4.72 1.08 7.64 -1.26 -5.06 113.62 112.63 2pn8 n SER 82 Ca 0.00 -3.43 -0.41 0.00 1.01 0.00 0.00 58.87 56.04 2pn8 n SER 82 Cb 0.00 -0.72 -0.04 0.00 -1.01 0.00 0.00 64.21 62.44 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 -2.45 4.57 0.37 1.43 -1.94 -1.26 -4.88 119.30 115.14 2pn8 s MET 83 Ca 0.39 1.29 -0.28 0.00 -1.71 0.00 0.00 55.69 55.38 2pn8 s MET 83 Cb 0.13 -3.42 -0.10 0.00 2.01 0.00 0.00 34.83 33.45 2pn8 s MET 83 CO -0.01 0.09 1.43 -2.14 -0.01 0.00 0.00 175.02 174.38 2pn8 s PRO 84 N 0.52 4.12 0.26 2.03 0.02 -1.26 -1.17 135.00 139.52 2pn8 s PRO 84 Ca 0.46 2.46 -0.30 0.00 0.02 0.00 0.00 61.00 63.64 2pn8 s PRO 84 Cb -0.21 -2.95 -0.11 0.00 0.02 0.00 0.00 34.50 31.25 2pn8 s PRO 84 CO 0.26 -0.48 1.51 0.00 -0.33 0.00 0.00 177.00 177.96 2pn8 s ALA 85 N -1.14 3.69 0.28 -1.55 0.00 -0.03 -4.69 121.76 118.31 2pn8 s ALA 85 Ca 0.53 1.42 -0.30 0.00 0.00 0.00 0.00 51.96 53.61 2pn8 s ALA 85 Cb -0.44 -3.60 -0.13 0.00 0.00 0.00 0.00 23.12 18.95 2pn8 s ALA 85 CO 0.60 -0.84 1.42 -2.30 0.00 0.00 0.00 175.76 174.64 2pn8 n PRO 86 N 2.42 2.23 -1.69 0.00 -0.02 -1.26 -4.92 135.00 131.75 2pn8 n PRO 86 Ca 0.08 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 61.93 2pn8 n PRO 86 Cb 0.39 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 1.53 2.14 -4.03 6.00 9.36 -1.26 -5.01 117.16 125.89 2pn8 n TYR 87 Ca 0.09 0.54 -0.08 0.00 3.32 0.00 0.00 57.90 61.77 2pn8 n TYR 87 Cb 0.34 -2.39 -0.10 0.00 -0.63 0.00 0.00 39.34 36.56 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 -1.14 0.38 -0.02 2.98 1.48 -1.26 -5.02 118.94 116.34 2pn8 s TRP 88 Ca 0.58 -0.81 -0.24 0.00 -1.06 0.00 0.00 56.10 54.56 2pn8 s TRP 88 Cb -0.55 -0.28 0.05 0.00 -1.16 0.00 0.00 33.47 31.53 2pn8 s TRP 88 CO 0.60 -0.33 0.54 -1.83 -4.06 0.00 0.00 176.95 171.87 2pn8 s GLU 89 N -3.05 0.93 0.00 3.25 -1.05 -1.26 -1.00 118.70 116.53 2pn8 s GLU 89 Ca -0.01 0.03 0.00 0.00 -0.15 0.00 0.00 54.97 54.84 2pn8 s GLU 89 Cb 0.02 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 2pn8 s GLU 89 CO -0.07 -0.29 0.00 0.41 0.95 0.00 0.00 175.26 176.26 2pn8 n GLY 90 N 0.93 -1.43 3.71 -3.83 0.00 -0.52 -5.00 105.19 99.06 2pn8 n GLY 90 Ca -0.20 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.42 5.14 0.17 2.61 2.01 -1.26 -0.47 115.64 121.41 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 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2pn8 s THR 91 CO 0.00 0.29 -0.23 0.00 -0.69 0.00 0.00 174.62 173.99 2pn8 s ALA 92 N 0.80 2.36 -0.33 7.40 0.00 0.51 -0.96 121.76 131.54 2pn8 s ALA 92 Ca 0.29 -1.56 -0.20 0.00 0.00 0.00 0.00 51.96 50.49 2pn8 s ALA 92 Cb -0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 2pn8 s ALA 92 CO 0.12 0.40 0.63 0.08 0.00 0.00 0.00 175.76 177.00 2pn8 s VAL 93 N -1.63 4.91 -0.14 0.00 1.01 0.03 -1.00 120.40 123.58 2pn8 s VAL 93 Ca 0.18 0.71 -0.00 0.00 0.00 0.00 0.00 61.98 62.87 2pn8 s VAL 93 Cb -0.08 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.29 2pn8 s VAL 93 CO 0.08 -0.23 -0.09 -0.63 0.00 0.00 0.00 175.10 174.23 2pn8 s ILE 94 N 2.66 1.25 -1.42 2.22 1.01 -0.05 -2.04 121.20 124.83 2pn8 s ILE 94 Ca 0.25 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 2pn8 s ILE 94 Cb -0.15 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.05 2pn8 s ILE 94 CO 0.13 0.32 0.35 0.47 0.00 0.00 0.00 174.94 176.21 2pn8 n ASP 95 N 4.86 -0.47 0.00 3.58 8.00 -1.26 -1.23 116.55 130.03 2pn8 n ASP 95 Ca -0.14 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.27 2pn8 n ASP 95 Cb 0.49 -2.65 0.00 0.00 -0.02 0.00 0.00 41.12 38.94 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 -2.12 0.51 3.49 0.44 0.00 -1.26 -5.00 105.19 101.25 2pn8 n GLY 96 Ca -0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.49 1.76 -0.11 1.61 2.02 -0.37 -5.09 118.70 118.03 2pn8 s GLU 97 Ca 0.00 -1.25 -0.27 0.00 0.02 0.00 0.00 54.97 53.47 2pn8 s GLU 97 Cb 0.00 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 32.14 2pn8 s GLU 97 CO 0.00 0.46 0.89 -0.06 0.02 0.00 0.00 175.26 176.57 2pn8 s PHE 98 N -1.30 3.50 0.01 1.61 0.08 -1.26 -0.88 117.98 119.75 2pn8 s PHE 98 Ca 0.19 1.42 0.00 0.00 0.12 0.00 0.00 56.93 58.66 2pn8 s PHE 98 Cb -0.10 -3.05 -0.01 0.00 -0.57 0.00 0.00 43.02 39.29 2pn8 s PHE 98 CO 0.11 -0.16 -0.02 0.15 -0.10 0.00 0.00 175.22 175.20 2pn8 s LYS 99 N 1.77 0.15 0.22 0.44 -0.14 -0.17 -4.97 119.74 117.04 2pn8 s LYS 99 Ca 0.43 -0.22 -0.30 0.00 -1.36 0.00 0.00 55.97 54.52 2pn8 s LYS 99 Cb -0.18 -0.02 -0.08 0.00 -1.68 0.00 0.00 37.83 35.87 2pn8 s LYS 99 CO 0.17 -0.00 1.14 -1.21 -0.76 0.00 0.00 175.35 174.69 2pn8 s GLU 100 N -0.49 4.56 0.00 1.68 0.41 -1.26 -0.36 118.70 123.24 2pn8 s GLU 100 Ca -0.05 1.82 0.03 0.00 -0.41 0.00 0.00 54.97 56.36 2pn8 s GLU 100 Cb -0.03 -3.23 -0.01 0.00 -1.78 0.00 0.00 34.13 29.07 2pn8 s GLU 100 CO -0.00 0.05 -0.09 -1.17 -0.49 0.00 0.00 175.26 173.56 2pn8 s LEU 101 N -0.69 2.05 0.03 1.80 2.96 0.38 -4.90 118.68 120.32 2pn8 s LEU 101 Ca 0.49 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 2pn8 s LEU 101 Cb -0.32 -0.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.93 2pn8 s LEU 101 CO 0.38 0.07 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.82 2pn8 s LYS 102 N -0.42 0.80 0.32 1.98 1.02 -1.26 -1.44 119.74 120.74 2pn8 s LYS 102 Ca 0.02 -0.63 0.06 0.00 0.02 0.00 0.00 55.97 55.44 2pn8 s LYS 102 Cb -0.04 -0.76 0.73 0.00 -0.52 0.00 0.00 37.83 37.23 2pn8 s LYS 102 CO -0.00 0.19 1.82 1.25 -0.92 0.00 0.00 175.35 177.69 2pn8 h LEU 103 N 5.14 0.77 -1.27 3.17 5.85 -1.46 -1.09 115.31 126.42 2pn8 h LEU 103 Ca -0.36 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2pn8 h LEU 103 Cb 1.18 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2pn8 h LEU 103 CO 0.45 0.34 0.00 0.71 -0.34 0.00 0.00 178.44 179.60 2pn8 h THR 104 N 0.79 0.00 0.00 1.05 1.35 -1.97 -1.68 112.91 112.45 2pn8 h THR 104 Ca 0.52 -0.30 -0.00 0.00 -0.55 0.00 0.00 66.41 66.08 2pn8 h THR 104 Cb 0.77 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2pn8 h THR 104 CO -0.29 0.00 -0.00 0.44 -0.25 0.00 0.00 175.52 175.41 2pn8 h ASP 105 N 0.00 0.00 -0.31 5.36 3.32 -1.60 -2.85 116.42 120.35 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 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 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 -3.38 0.39 -1.77 4.55 4.01 -0.63 -4.98 117.16 115.34 2pn8 n TYR 106 Ca -0.03 -0.19 -0.39 0.00 -0.16 0.00 0.00 57.90 57.13 2pn8 n TYR 106 Cb 0.08 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.14 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 -1.61 3.32 0.00 -0.72 1.81 -1.08 -1.85 118.95 118.83 2pn8 s ARG 107 Ca 0.37 2.32 0.00 0.00 -1.72 0.00 0.00 55.73 56.70 2pn8 s ARG 107 Cb 0.22 -2.40 0.00 0.00 -0.45 0.00 0.00 34.95 32.32 2pn8 s ARG 107 CO 0.32 -1.07 0.00 0.41 -0.68 0.00 0.00 175.30 174.27 2pn8 n GLY 108 N 0.67 1.79 3.20 -3.53 0.00 0.02 -5.03 105.19 102.31 2pn8 n GLY 108 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.66 0.91 0.55 1.61 1.02 -0.77 -4.84 119.74 117.56 2pn8 s LYS 109 Ca 0.00 -1.09 -0.19 0.00 0.02 0.00 0.00 55.97 54.71 2pn8 s LYS 109 Cb 0.00 -0.84 -0.06 0.00 -0.52 0.00 0.00 37.83 36.41 2pn8 s LYS 109 CO 0.00 0.17 1.13 0.71 -0.92 0.00 0.00 175.35 176.44 2pn8 s TYR 110 N -1.71 2.66 -0.07 3.18 1.51 -0.92 -3.37 117.35 118.63 2pn8 s TYR 110 Ca 0.03 1.54 -0.00 0.00 -1.01 0.00 0.00 57.07 57.63 2pn8 s TYR 110 Cb -0.07 -3.29 0.02 0.00 -0.11 0.00 0.00 41.96 38.51 2pn8 s TYR 110 CO 0.02 -1.59 -0.03 -1.17 -1.11 0.00 0.00 175.55 171.67 2pn8 s LEU 111 N -3.83 1.01 -0.43 -1.29 2.96 0.78 -1.29 118.68 116.59 2pn8 s LEU 111 Ca 0.73 -0.14 -0.21 0.00 -0.22 0.00 0.00 54.13 54.28 2pn8 s LEU 111 Cb -0.24 -0.52 0.02 0.00 0.50 0.00 0.00 46.19 45.95 2pn8 s LEU 111 CO 0.27 -0.12 0.67 -0.69 -1.32 0.00 0.00 176.35 175.17 2pn8 s VAL 112 N 1.47 4.80 -0.24 1.68 1.01 -0.24 -0.63 120.40 128.25 2pn8 s VAL 112 Ca -0.02 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2pn8 s VAL 112 Cb -0.13 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.06 2pn8 s VAL 112 CO -0.03 -0.60 -0.10 0.12 0.00 0.00 0.00 175.10 174.49 2pn8 s PHE 113 N 2.91 3.06 -0.00 5.22 5.36 -0.37 -1.22 117.98 132.93 2pn8 s PHE 113 Ca 0.24 -1.77 0.03 0.00 -0.96 0.00 0.00 56.93 54.47 2pn8 s PHE 113 Cb -0.14 -2.00 -0.01 0.00 -0.34 0.00 0.00 43.02 40.53 2pn8 s PHE 113 CO 0.19 -0.79 -0.10 -0.59 -1.46 0.00 0.00 175.22 172.48 2pn8 s PHE 114 N 1.26 0.89 0.09 10.12 -0.71 -0.30 -0.60 117.98 128.74 2pn8 s PHE 114 Ca -0.01 -0.19 -0.07 0.00 -1.04 0.00 0.00 56.93 55.61 2pn8 s PHE 114 Cb -0.17 -0.57 -0.06 0.00 -1.21 0.00 0.00 43.02 41.02 2pn8 s PHE 114 CO -0.06 -0.01 0.37 -0.06 -1.34 0.00 0.00 175.22 174.11 2pn8 s PHE 115 N -0.33 3.54 0.03 3.49 0.08 0.13 -0.41 117.98 124.51 2pn8 s PHE 115 Ca 0.03 0.67 0.03 0.00 0.12 0.00 0.00 56.93 57.78 2pn8 s PHE 115 Cb -0.04 -2.08 -0.02 0.00 -0.57 0.00 0.00 43.02 40.31 2pn8 s PHE 115 CO -0.00 0.50 -0.10 1.52 -0.10 0.00 0.00 175.22 177.04 2pn8 s TYR 116 N -1.48 0.91 0.06 0.36 1.13 -0.21 -3.32 117.35 114.80 2pn8 s TYR 116 Ca 0.35 -0.33 -0.16 0.00 -1.41 0.00 0.00 57.07 55.51 2pn8 s TYR 116 Cb -0.13 -0.55 -0.06 0.00 -1.10 0.00 0.00 41.96 40.13 2pn8 s TYR 116 CO 0.20 -0.01 1.27 -1.35 -2.51 0.00 0.00 175.55 173.15 2pn8 h PRO 117 N 5.07 -0.23 -2.27 -3.49 0.11 -1.73 -3.39 132.00 126.08 2pn8 h PRO 117 Ca -0.35 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 2pn8 h PRO 117 Cb 1.19 0.05 -0.23 0.00 0.11 0.00 0.00 31.00 32.12 2pn8 h PRO 117 CO 0.44 -0.15 -0.06 -0.51 -0.21 0.00 0.00 178.00 177.51 2pn8 s LEU 118 N -7.77 -0.47 0.64 2.35 1.43 -1.26 -4.35 118.68 109.25 2pn8 s LEU 118 Ca -0.07 1.25 -0.18 0.00 -1.03 0.00 0.00 54.13 54.10 2pn8 s LEU 118 Cb 0.04 2.02 -0.03 0.00 0.03 0.00 0.00 46.19 48.25 2pn8 s LEU 118 CO 0.30 -0.22 1.08 0.47 0.23 0.00 0.00 176.35 178.21 2pn8 n ASP 119 N 3.60 1.18 -1.78 2.29 9.92 -1.26 -3.27 116.55 127.23 2pn8 n ASP 119 Ca -0.18 0.79 -0.16 0.00 -0.53 0.00 0.00 54.79 54.71 2pn8 n ASP 119 Cb 0.57 -1.45 -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 -1.92 -0.68 -0.82 1.24 3.72 -1.26 -5.00 117.46 112.74 2pn8 n PHE 120 Ca 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 2pn8 n PHE 120 Cb 0.48 -3.25 0.00 0.00 -0.94 0.00 0.00 39.48 35.77 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 -3.84 0.00 0.01 4.37 -2.24 -1.20 -5.13 114.28 106.24 2pn8 n THR 121 Ca -0.19 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2pn8 n THR 121 Cb 0.63 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 0.05 4.78 3.72 -1.26 -4.60 117.46 120.15 2pn8 n PHE 122 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 2pn8 n PHE 122 Cb 0.00 -0.01 0.14 0.00 -0.94 0.00 0.00 39.48 38.68 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 -0.01 1.32 -0.13 -4.37 2.07 -1.96 -3.35 116.25 109.83 2pn8 h VAL 123 Ca 0.00 -1.67 0.05 0.00 0.82 0.00 0.00 66.70 65.90 2pn8 h VAL 123 Cb 0.01 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 2pn8 h VAL 123 CO 0.00 0.51 -0.28 0.00 0.02 0.00 0.00 177.57 177.82 2pn8 h PRO 125 N -0.35 0.44 -0.37 0.00 0.13 -1.81 -1.98 132.00 128.05 2pn8 h PRO 125 Ca 0.10 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.13 2pn8 h PRO 125 Cb 0.51 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 2pn8 h PRO 125 CO -0.33 0.36 0.01 1.79 -0.23 0.00 0.00 178.00 179.61 2pn8 h THR 126 N 0.45 1.20 -0.13 1.56 1.35 -1.39 0.16 112.91 116.11 2pn8 h THR 126 Ca 0.11 -0.81 -0.11 0.00 -0.55 0.00 0.00 66.41 65.06 2pn8 h THR 126 Cb 0.08 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 2pn8 h THR 126 CO -0.01 0.28 -0.34 -0.33 -0.25 0.00 0.00 175.52 174.87 2pn8 h GLU 127 N 0.55 0.46 -0.45 4.72 5.08 -0.64 -0.28 114.58 124.02 2pn8 h GLU 127 Ca 0.12 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2pn8 h GLU 127 Cb 0.34 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2pn8 h GLU 127 CO 0.01 0.93 0.28 0.82 -1.00 0.00 0.00 179.01 180.05 2pn8 h ILE 128 N 0.05 1.14 -0.44 3.13 2.04 -1.24 -1.85 117.51 120.34 2pn8 h ILE 128 Ca -0.01 -0.30 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 2pn8 h ILE 128 Cb 0.95 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2pn8 h ILE 128 CO 0.07 0.14 -0.22 0.40 0.00 0.00 0.00 178.15 178.54 2pn8 h ILE 129 N 0.61 1.27 -0.27 -0.67 2.04 -1.00 0.45 117.51 119.93 2pn8 h ILE 129 Ca 0.16 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 2pn8 h ILE 129 Cb -0.02 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2pn8 h ILE 129 CO -0.03 0.47 0.13 0.00 0.00 0.00 0.00 178.15 178.71 2pn8 h ALA 130 N 0.97 0.35 -0.27 1.87 0.00 -0.76 0.66 119.26 122.08 2pn8 h ALA 130 Ca 0.10 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2pn8 h ALA 130 Cb 0.77 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2pn8 h ALA 130 CO 0.06 -0.08 -0.09 0.74 0.00 0.00 0.00 179.25 179.88 2pn8 h PHE 131 N 0.30 0.62 -0.46 0.00 0.04 -1.32 -3.03 116.94 113.09 2pn8 h PHE 131 Ca 0.09 -0.14 0.02 0.00 2.80 0.00 0.00 57.97 60.74 2pn8 h PHE 131 Cb 0.13 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.10 2pn8 h PHE 131 CO -0.02 0.77 0.28 0.78 -0.60 0.00 0.00 178.31 179.52 2pn8 h GLY 132 N 0.29 0.65 2.00 -1.45 0.00 -0.67 0.07 103.07 103.95 2pn8 h GLY 132 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2pn8 h GLY 132 CO 0.03 0.18 0.00 -0.55 0.00 0.00 0.00 176.54 176.21 2pn8 h ASP 133 N 0.56 0.00 -0.32 0.19 3.32 -0.93 -2.57 116.42 116.67 2pn8 h ASP 133 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2pn8 h ASP 133 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2pn8 h ASP 133 CO -0.08 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.98 2pn8 n ARG 134 N -2.99 3.06 -0.25 3.56 1.74 -0.90 -4.78 116.66 116.10 2pn8 n ARG 134 Ca 0.01 -2.64 0.11 0.00 -0.77 0.00 0.00 57.85 54.56 2pn8 n ARG 134 Cb 0.31 -1.71 0.37 0.00 -1.02 0.00 0.00 32.46 30.42 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 2.12 0.66 -1.65 0.55 5.85 -0.56 -0.38 115.31 121.88 2pn8 h LEU 135 Ca 0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2pn8 h LEU 135 Cb 1.27 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2pn8 h LEU 135 CO 0.18 0.36 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.26 2pn8 h GLU 136 N 0.71 0.00 0.00 1.25 4.39 -1.86 -1.15 114.58 117.92 2pn8 h GLU 136 Ca 0.42 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.09 2pn8 h GLU 136 Cb 0.62 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2pn8 h GLU 136 CO -0.18 0.04 -0.14 0.93 -1.16 0.00 0.00 179.01 178.50 2pn8 h GLU 137 N 0.00 0.00 0.00 2.33 5.08 -1.45 -1.04 114.58 119.50 2pn8 h GLU 137 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2pn8 h GLU 137 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2pn8 h GLU 137 CO 0.00 0.14 -0.88 0.74 -1.00 0.00 0.00 179.01 178.02 2pn8 h PHE 138 N 0.00 0.00 0.00 4.33 -1.00 -1.40 -3.38 116.94 115.50 2pn8 h PHE 138 Ca -0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2pn8 h PHE 138 Cb 0.42 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 2pn8 h PHE 138 CO 0.00 0.97 -0.06 0.00 -1.61 0.00 0.00 178.31 177.61 2pn8 h ARG 139 N -1.00 0.00 0.00 1.51 3.08 -0.61 0.15 114.38 117.52 2pn8 h ARG 139 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.84 2pn8 h ARG 139 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 2pn8 h ARG 139 CO -0.12 0.06 0.00 -1.13 -1.07 0.00 0.00 179.97 177.70 2pn8 n SER 140 N -4.24 0.25 -2.12 7.04 3.41 -0.40 -2.52 113.62 115.04 2pn8 n SER 140 Ca -0.03 0.54 -0.26 0.00 -0.26 0.00 0.00 58.87 58.87 2pn8 n SER 140 Cb 0.14 -0.60 0.02 0.00 -0.26 0.00 0.00 64.21 63.51 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 -1.75 2.62 -3.89 -1.33 -5.35 0.44 -4.95 119.36 105.13 2pn8 n ILE 141 Ca 0.04 -4.21 -0.30 0.00 -0.27 0.00 0.00 62.75 58.02 2pn8 n ILE 141 Cb 0.26 -1.16 0.02 0.00 -1.74 0.00 0.00 39.64 37.03 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 -0.70 -4.82 -4.09 7.28 5.15 -1.05 -4.89 115.26 112.16 2pn8 n ASN 142 Ca 0.45 -0.76 -0.25 0.00 -0.60 0.00 0.00 54.58 53.41 2pn8 n ASN 142 Cb 0.89 -3.85 -0.16 0.00 -0.53 0.00 0.00 39.78 36.13 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 -3.28 1.31 0.37 -0.44 2.01 -0.56 -2.17 115.64 112.88 2pn8 s THR 143 Ca 0.66 -0.62 0.08 0.00 0.31 0.00 0.00 61.69 62.12 2pn8 s THR 143 Cb -0.33 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 2pn8 s THR 143 CO 0.82 0.39 0.31 -1.61 -0.69 0.00 0.00 174.62 173.83 2pn8 s GLU 144 N 0.33 2.61 -0.03 4.92 0.41 -0.41 -1.99 118.70 124.53 2pn8 s GLU 144 Ca -0.09 -1.42 0.01 0.00 -0.41 0.00 0.00 54.97 53.06 2pn8 s GLU 144 Cb -0.14 -2.40 0.01 0.00 -1.78 0.00 0.00 34.13 29.83 2pn8 s GLU 144 CO 0.03 -0.02 -0.05 0.08 -0.49 0.00 0.00 175.26 174.82 2pn8 s VAL 145 N -2.39 0.49 -0.03 2.63 1.01 -1.26 -1.08 120.40 119.78 2pn8 s VAL 145 Ca 0.43 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.28 2pn8 s VAL 145 Cb -0.04 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.86 2pn8 s VAL 145 CO 0.27 0.19 -0.06 -0.69 0.00 0.00 0.00 175.10 174.80 2pn8 s VAL 146 N 0.56 0.61 0.08 2.92 1.01 -0.36 -4.22 120.40 121.00 2pn8 s VAL 146 Ca -0.07 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.72 2pn8 s VAL 146 Cb -0.10 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2pn8 s VAL 146 CO -0.00 0.21 -0.03 0.00 0.00 0.00 0.00 175.10 175.28 2pn8 s ALA 147 N 0.39 3.20 -0.05 5.51 0.00 -0.77 -1.15 121.76 128.90 2pn8 s ALA 147 Ca -0.05 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 2pn8 s ALA 147 Cb -0.09 -1.13 0.02 0.00 0.00 0.00 0.00 23.12 21.92 2pn8 s ALA 147 CO 0.00 0.68 0.13 0.00 0.00 0.00 0.00 175.76 176.57 2pn8 s SER 149 N 0.56 1.46 0.00 0.00 1.04 -1.05 -1.05 113.70 114.65 2pn8 s SER 149 Ca -0.04 -1.50 0.17 0.00 0.48 0.00 0.00 55.95 55.05 2pn8 s SER 149 Cb -0.06 0.32 0.80 0.00 0.10 0.00 0.00 66.02 67.18 2pn8 s SER 149 CO -0.03 -0.84 1.51 1.33 0.98 0.00 0.00 173.24 176.20 2pn8 n VAL 150 N -0.55 0.64 -1.44 5.02 0.24 -1.26 -0.43 118.33 120.54 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 -0.88 0.08 0.00 -1.47 0.00 0.00 33.84 32.22 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 -2.73 4.68 0.73 -1.34 1.01 -1.26 -3.39 116.67 114.37 2pn8 s ASP 151 Ca 0.13 1.92 -0.11 0.00 0.71 0.00 0.00 52.55 55.20 2pn8 s ASP 151 Cb 0.11 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.53 2pn8 s ASP 151 CO 0.27 -1.92 1.07 -0.94 0.21 0.00 0.00 175.17 173.87 2pn8 s SER 152 N -3.01 5.08 0.47 0.27 1.04 -1.26 -3.79 113.70 112.49 2pn8 s SER 152 Ca 0.64 1.55 0.15 0.00 0.48 0.00 0.00 55.95 58.78 2pn8 s SER 152 Cb -0.19 -2.38 1.08 0.00 0.10 0.00 0.00 66.02 64.63 2pn8 s SER 152 CO 0.50 -1.63 2.03 0.06 0.98 0.00 0.00 173.24 175.18 2pn8 h GLN 153 N -0.85 0.00 -0.43 4.02 -0.00 -1.94 -0.90 115.11 115.01 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 -0.01 0.00 -0.00 0.00 0.00 27.48 28.69 2pn8 h GLN 153 CO 0.57 0.14 -0.17 0.74 -0.00 0.00 0.00 178.83 180.11 2pn8 h PHE 154 N 0.00 1.00 -0.28 0.06 0.04 -1.99 -1.29 116.94 114.48 2pn8 h PHE 154 Ca -0.00 -0.24 -0.04 0.00 2.80 0.00 0.00 57.97 60.49 2pn8 h PHE 154 Cb 0.25 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2pn8 h PHE 154 CO 0.00 1.01 0.00 1.15 -0.60 0.00 0.00 178.31 179.88 2pn8 h THR 155 N 0.71 1.25 -0.59 -1.55 2.02 -1.86 -0.81 112.91 112.09 2pn8 h THR 155 Ca 0.10 -0.92 0.12 0.00 0.77 0.00 0.00 66.41 66.48 2pn8 h THR 155 Cb 0.73 1.30 -0.09 0.00 -1.74 0.00 0.00 68.15 68.34 2pn8 h THR 155 CO 0.06 0.29 0.06 0.45 0.37 0.00 0.00 175.52 176.75 2pn8 h HIS 156 N 0.29 0.08 -0.21 3.16 3.86 -1.00 0.75 115.15 122.08 2pn8 h HIS 156 Ca 0.08 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 2pn8 h HIS 156 Cb 0.42 0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 2pn8 h HIS 156 CO 0.03 -0.09 0.02 1.25 0.86 0.00 0.00 177.93 180.00 2pn8 h LEU 157 N 0.18 0.35 -1.02 2.43 5.85 -1.07 0.35 115.31 122.39 2pn8 h LEU 157 Ca 0.31 -0.28 0.14 0.00 0.84 0.00 0.00 57.88 58.89 2pn8 h LEU 157 Cb 0.47 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.32 2pn8 h LEU 157 CO -0.45 0.54 0.63 0.00 -0.34 0.00 0.00 178.44 178.82 2pn8 h ALA 158 N 0.82 1.58 -0.16 1.25 0.00 -0.72 0.61 119.26 122.63 2pn8 h ALA 158 Ca 0.06 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 2pn8 h ALA 158 Cb 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2pn8 h ALA 158 CO 0.01 0.13 -0.69 2.35 0.00 0.00 0.00 179.25 181.05 2pn8 h TRP 159 N 0.92 0.85 -0.88 0.00 7.01 -0.37 -2.40 115.95 121.08 2pn8 h TRP 159 Ca 0.52 -0.35 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 2pn8 h TRP 159 Cb 0.63 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.51 2pn8 h TRP 159 CO -0.00 1.14 0.53 0.82 -2.79 0.00 0.00 178.44 178.14 2pn8 h ILE 160 N 0.46 1.24 0.00 2.65 2.04 -0.46 -2.28 117.51 121.17 2pn8 h ILE 160 Ca -0.02 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2pn8 h ILE 160 Cb 1.28 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2pn8 h ILE 160 CO 0.13 0.26 0.00 0.59 0.00 0.00 0.00 178.15 179.13 2pn8 n ASN 161 N -4.41 0.00 -4.77 1.72 3.02 0.16 -2.40 115.26 108.59 2pn8 n ASN 161 Ca 0.09 -1.48 -0.36 0.00 -0.03 0.00 0.00 54.58 52.81 2pn8 n ASN 161 Cb 0.06 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.15 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 5.42 0.57 3.41 2.01 -0.93 -4.99 115.64 119.13 2pn8 s THR 162 Ca 0.15 0.24 -0.20 0.00 0.31 0.00 0.00 61.69 62.19 2pn8 s THR 162 Cb 0.07 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 2pn8 s THR 162 CO 0.12 0.48 1.23 -2.65 -0.69 0.00 0.00 174.62 173.11 2pn8 n PRO 163 N 3.12 1.37 -0.18 4.92 -0.02 -1.26 -2.46 135.00 140.49 2pn8 n PRO 163 Ca -0.17 0.51 0.09 0.00 -2.02 0.00 0.00 63.50 61.91 2pn8 n PRO 163 Cb 0.53 -2.43 0.39 0.00 -0.02 0.00 0.00 33.50 31.96 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 1.05 0.65 0.00 -0.52 3.08 -1.86 -1.12 114.38 115.67 2pn8 h ARG 164 Ca -0.50 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2pn8 h ARG 164 Cb 1.33 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2pn8 h ARG 164 CO 0.55 0.43 0.00 0.00 -1.07 0.00 0.00 179.97 179.88 2pn8 h ARG 165 N 0.67 0.00 -0.73 0.04 3.08 -1.91 -0.41 114.38 115.13 2pn8 h ARG 165 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2pn8 h ARG 165 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2pn8 h ARG 165 CO -0.12 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.82 2pn8 n GLN 166 N -2.49 2.86 -0.66 0.04 6.02 -0.58 -4.94 117.38 117.62 2pn8 n GLN 166 Ca 0.00 -2.70 0.00 0.00 -0.01 0.00 0.00 57.00 54.29 2pn8 n GLN 166 Cb 0.16 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 29.81 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 1.60 0.61 2.34 1.08 0.00 -0.16 -4.97 105.19 105.69 2pn8 n GLY 167 Ca 0.25 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.66 0.20 0.08 -0.02 0.00 -0.53 -4.74 105.19 97.52 2pn8 n GLY 168 Ca 0.00 -1.93 -0.04 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.90 -3.96 117.00 118.05 2pn8 n LEU 169 Ca 0.10 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2pn8 n LEU 169 Cb 0.35 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 2pn8 n LEU 169 CO 0.24 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2pn8 n GLY 170 N 1.60 -0.78 3.72 -0.72 0.00 -1.01 -4.70 105.19 103.30 2pn8 n GLY 170 Ca -0.23 -0.99 -0.43 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 -1.76 2.43 -3.88 1.61 -0.02 -1.26 -4.68 135.00 127.45 2pn8 n PRO 171 Ca 0.00 0.86 -0.12 0.00 -2.02 0.00 0.00 63.50 62.22 2pn8 n PRO 171 Cb 0.00 -2.57 -0.14 0.00 -0.02 0.00 0.00 33.50 30.77 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 -0.29 0.01 -2.34 4.25 1.10 -1.26 -5.04 121.20 117.63 2pn8 s ILE 172 Ca 0.63 -0.00 0.21 0.00 -0.51 0.00 0.00 60.65 60.97 2pn8 s ILE 172 Cb -0.55 -0.02 0.11 0.00 0.15 0.00 0.00 42.46 42.15 2pn8 s ILE 172 CO 0.52 0.00 1.10 0.54 -2.11 0.00 0.00 174.94 175.00 2pn8 n ARG 173 N 3.09 1.75 -3.33 3.50 1.74 -1.26 -4.54 116.66 117.60 2pn8 n ARG 173 Ca -0.12 -1.47 -0.38 0.00 -0.77 0.00 0.00 57.85 55.11 2pn8 n ARG 173 Cb 0.60 -1.40 -0.07 0.00 -1.02 0.00 0.00 32.46 30.57 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 -1.91 5.17 0.32 0.55 1.01 -1.26 -4.95 121.20 120.13 2pn8 s ILE 174 Ca 0.22 0.83 -0.28 0.00 0.00 0.00 0.00 60.65 61.41 2pn8 s ILE 174 Cb 0.17 -3.78 -0.13 0.00 0.01 0.00 0.00 42.46 38.73 2pn8 s ILE 174 CO 0.34 0.25 1.29 -2.65 0.00 0.00 0.00 174.94 174.16 2pn8 n PRO 175 N 4.39 2.06 -3.70 2.79 -0.02 -1.26 -4.85 135.00 134.40 2pn8 n PRO 175 Ca -0.07 0.72 -0.38 0.00 -2.02 0.00 0.00 63.50 61.75 2pn8 n PRO 175 Cb 0.51 -2.30 -0.11 0.00 -0.02 0.00 0.00 33.50 31.58 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 -0.74 4.95 0.18 2.45 1.43 -0.87 -1.84 118.68 124.25 2pn8 s LEU 176 Ca 0.58 -1.59 -0.28 0.00 -1.03 0.00 0.00 54.13 51.80 2pn8 s LEU 176 Cb -0.59 -1.90 -0.08 0.00 0.03 0.00 0.00 46.19 43.65 2pn8 s LEU 176 CO 0.60 -0.49 0.89 -0.22 0.23 0.00 0.00 176.35 177.36 2pn8 s LEU 177 N 1.32 4.59 -0.18 1.79 2.96 0.26 -0.79 118.68 128.63 2pn8 s LEU 177 Ca 0.03 1.80 -0.08 0.00 -0.22 0.00 0.00 54.13 55.66 2pn8 s LEU 177 Cb -0.22 -3.50 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2pn8 s LEU 177 CO -0.00 0.11 0.08 -0.55 -1.32 0.00 0.00 176.35 174.68 2pn8 s SER 178 N -0.84 5.83 -0.49 3.68 0.15 -0.13 -2.54 113.70 119.36 2pn8 s SER 178 Ca 0.41 0.15 0.06 0.00 0.70 0.00 0.00 55.95 57.27 2pn8 s SER 178 Cb -0.24 -1.99 0.39 0.00 -1.71 0.00 0.00 66.02 62.46 2pn8 s SER 178 CO 0.29 0.20 1.02 -0.67 1.20 0.00 0.00 173.24 175.28 2pn8 n ASP 179 N 3.37 4.24 -0.35 5.45 2.03 0.42 -4.43 116.55 127.28 2pn8 n ASP 179 Ca -0.17 -3.61 0.12 0.00 0.52 0.00 0.00 54.79 51.65 2pn8 n ASP 179 Cb 0.52 -0.51 0.31 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 2.79 0.80 -0.14 -2.67 3.38 -1.76 -0.94 115.31 116.78 2pn8 h LEU 180 Ca 0.20 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2pn8 h LEU 180 Cb 0.76 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2pn8 h LEU 180 CO 0.80 0.30 0.00 0.35 0.09 0.00 0.00 178.44 179.98 2pn8 n THR 181 N -4.75 0.53 -0.90 0.22 -2.24 -1.26 -4.90 114.28 100.98 2pn8 n THR 181 Ca 0.23 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2pn8 n THR 181 Cb 0.55 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 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 -1.97 0.00 -0.16 4.78 8.25 -0.36 -4.92 115.22 120.85 2pn8 n HIS 182 Ca 0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.42 2pn8 n HIS 182 Cb 0.34 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.98 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 1.71 0.73 -0.22 -0.41 5.75 -1.91 -0.81 115.11 119.94 2pn8 h GLN 183 Ca 0.00 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.32 2pn8 h GLN 183 Cb 0.09 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 2pn8 h GLN 183 CO 0.00 0.70 0.06 0.82 -2.65 0.00 0.00 178.83 177.76 2pn8 h ILE 184 N 0.61 1.20 -0.64 2.39 2.04 -1.91 0.04 117.51 121.25 2pn8 h ILE 184 Ca 0.15 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 2pn8 h ILE 184 Cb 0.29 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2pn8 h ILE 184 CO -0.00 0.20 0.39 0.28 0.00 0.00 0.00 178.15 179.02 2pn8 h SER 185 N 0.19 0.76 -0.71 1.72 0.02 -1.88 -1.51 113.55 112.13 2pn8 h SER 185 Ca 0.07 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 2pn8 h SER 185 Cb 0.25 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2pn8 h SER 185 CO -0.00 0.59 0.19 0.11 -1.14 0.00 0.00 176.83 176.58 2pn8 h LYS 186 N 0.87 1.14 -0.03 3.45 1.57 -1.01 -1.41 116.57 121.14 2pn8 h LYS 186 Ca 0.23 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2pn8 h LYS 186 Cb -0.04 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2pn8 h LYS 186 CO -0.04 0.99 -0.16 -0.44 -0.57 0.00 0.00 179.45 179.23 2pn8 h ASP 187 N 1.08 0.05 -0.03 0.86 3.32 -0.36 -2.00 116.42 119.34 2pn8 h ASP 187 Ca 0.23 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2pn8 h ASP 187 Cb 0.35 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2pn8 h ASP 187 CO -0.00 0.21 0.00 -1.22 -1.72 0.00 0.00 179.24 176.51 2pn8 n TYR 188 N -4.33 0.02 -1.86 4.55 4.02 -0.63 -4.86 117.16 114.07 2pn8 n TYR 188 Ca -0.02 -0.01 -0.12 0.00 -0.01 0.00 0.00 57.90 57.74 2pn8 n TYR 188 Cb 0.24 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.53 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 1.25 0.48 0.34 2.72 0.00 -0.65 -4.91 105.19 104.41 2pn8 n GLY 189 Ca 0.17 -0.41 0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.43 0.34 -2.75 1.61 0.24 -0.62 -5.00 118.33 108.71 2pn8 n VAL 190 Ca -0.13 -0.67 -0.42 0.00 -2.04 0.00 0.00 64.34 61.08 2pn8 n VAL 190 Cb 0.52 0.93 -0.03 0.00 -1.47 0.00 0.00 33.84 33.79 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 -0.75 3.67 -0.46 6.34 5.04 -1.19 -1.36 117.35 128.65 2pn8 s TYR 191 Ca 0.11 1.66 -0.17 0.00 -2.44 0.00 0.00 57.07 56.23 2pn8 s TYR 191 Cb 0.07 -3.08 0.05 0.00 0.35 0.00 0.00 41.96 39.35 2pn8 s TYR 191 CO 0.10 0.02 0.45 -0.51 -1.34 0.00 0.00 175.55 174.27 2pn8 s LEU 192 N 0.88 5.17 0.43 6.97 1.43 0.18 -4.94 118.68 128.80 2pn8 s LEU 192 Ca 0.50 -0.98 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2pn8 s LEU 192 Cb -0.21 -2.30 0.94 0.00 0.03 0.00 0.00 46.19 44.64 2pn8 s LEU 192 CO 0.27 -0.66 2.05 -0.33 0.23 0.00 0.00 176.35 177.91 2pn8 h GLU 193 N 8.79 0.36 0.00 1.70 4.39 -1.95 -0.22 114.58 127.64 2pn8 h GLU 193 Ca -0.27 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.26 2pn8 h GLU 193 Cb 1.11 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.66 2pn8 h GLU 193 CO 0.85 0.28 -0.66 0.38 -1.16 0.00 0.00 179.01 178.71 2pn8 h ASP 194 N 0.37 0.00 0.00 1.42 2.03 -1.95 -3.37 116.42 114.93 2pn8 h ASP 194 Ca 0.09 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 56.06 2pn8 h ASP 194 Cb 0.04 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.47 2pn8 h ASP 194 CO -0.01 0.66 -2.35 -1.20 -1.03 0.00 0.00 179.24 175.31 2pn8 n SER 195 N -3.31 0.01 0.00 4.15 7.64 -0.87 -5.01 113.62 116.23 2pn8 n SER 195 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2pn8 n SER 195 Cb 0.78 1.09 0.00 0.00 -1.01 0.00 0.00 64.21 65.07 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 1.70 0.40 3.57 0.23 0.00 -0.15 -5.03 105.19 105.91 2pn8 n GLY 196 Ca -0.30 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.00 0.78 0.53 1.61 -3.43 -1.25 -4.94 115.29 106.60 2pn8 s HIS 197 Ca 0.00 -1.12 -0.05 0.00 -0.80 0.00 0.00 55.06 53.08 2pn8 s HIS 197 Cb 0.00 0.15 -0.02 0.00 -1.43 0.00 0.00 32.58 31.28 2pn8 s HIS 197 CO 0.00 -1.22 0.84 0.95 -2.00 0.00 0.00 174.74 173.32 2pn8 s THR 198 N -3.00 4.31 0.12 -5.38 -4.23 -1.26 -0.65 115.64 105.56 2pn8 s THR 198 Ca 0.26 0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.87 2pn8 s THR 198 Cb -0.01 -3.67 0.03 0.00 1.34 0.00 0.00 72.50 70.18 2pn8 s THR 198 CO 0.17 -0.67 0.17 0.00 -0.54 0.00 0.00 174.62 173.75 2pn8 n LEU 199 N -2.41 0.00 -4.45 4.79 -0.00 -0.46 -3.97 117.00 110.50 2pn8 n LEU 199 Ca 0.03 -0.20 -0.44 0.00 -0.00 0.00 0.00 56.01 55.39 2pn8 n LEU 199 Cb 0.56 -0.13 -0.01 0.00 -0.00 0.00 0.00 43.42 43.85 2pn8 n LEU 199 CO 0.53 -0.61 1.18 -0.13 -0.00 0.00 0.00 177.39 178.35 2pn8 s ARG 200 N -3.28 3.90 -0.22 1.47 0.52 -0.90 -4.19 118.95 116.25 2pn8 s ARG 200 Ca 0.10 -2.33 -0.05 0.00 -0.52 0.00 0.00 55.73 52.93 2pn8 s ARG 200 Cb -0.00 -4.96 -0.02 0.00 0.52 0.00 0.00 34.95 30.49 2pn8 s ARG 200 CO 0.07 -1.72 0.01 0.20 0.02 0.00 0.00 175.30 173.88 2pn8 s GLY 201 N 3.00 1.71 -0.05 -3.53 0.00 -1.21 -0.74 107.32 106.49 2pn8 s GLY 201 Ca 0.37 -1.05 0.04 0.00 0.00 0.00 0.00 44.72 44.08 2pn8 s GLY 201 CO -0.04 0.34 -0.18 -2.27 0.00 0.00 0.00 173.10 170.95 2pn8 s LEU 202 N 1.23 2.50 -0.08 0.66 0.20 0.12 -0.69 118.68 122.62 2pn8 s LEU 202 Ca 0.04 -0.31 0.02 0.00 0.69 0.00 0.00 54.13 54.57 2pn8 s LEU 202 Cb -0.15 -1.49 0.01 0.00 -0.43 0.00 0.00 46.19 44.14 2pn8 s LEU 202 CO 0.01 0.31 -0.13 -0.36 -0.29 0.00 0.00 176.35 175.89 2pn8 s PHE 203 N -0.50 1.59 -0.29 5.38 0.08 0.23 -0.69 117.98 123.78 2pn8 s PHE 203 Ca 0.06 -0.64 -0.10 0.00 0.12 0.00 0.00 56.93 56.37 2pn8 s PHE 203 Cb -0.12 -1.17 -0.03 0.00 -0.57 0.00 0.00 43.02 41.13 2pn8 s PHE 203 CO 0.01 -0.34 0.17 0.42 -0.10 0.00 0.00 175.22 175.38 2pn8 s ILE 204 N 0.81 4.97 -0.10 0.64 1.01 -0.17 -1.23 121.20 127.13 2pn8 s ILE 204 Ca -0.11 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.47 2pn8 s ILE 204 Cb -0.15 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 2pn8 s ILE 204 CO 0.02 0.18 -0.16 -0.63 0.00 0.00 0.00 174.94 174.35 2pn8 s ILE 205 N 1.70 2.77 0.90 2.92 1.01 0.20 -0.45 121.20 130.25 2pn8 s ILE 205 Ca 0.06 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 2pn8 s ILE 205 Cb -0.16 -2.12 0.19 0.00 0.01 0.00 0.00 42.46 40.38 2pn8 s ILE 205 CO 0.09 0.55 1.24 1.51 0.00 0.00 0.00 174.94 178.32 2pn8 s ASP 206 N 0.13 3.35 0.53 3.58 1.47 -0.31 -0.15 116.67 125.27 2pn8 s ASP 206 Ca -0.08 -0.01 0.35 0.00 1.18 0.00 0.00 52.55 53.99 2pn8 s ASP 206 Cb -0.15 -0.08 1.72 0.00 -0.34 0.00 0.00 42.92 44.07 2pn8 s ASP 206 CO 0.05 -2.55 2.06 -2.24 0.68 0.00 0.00 175.17 173.17 2pn8 h ASP 207 N -1.35 0.00 -0.34 2.11 2.03 -1.88 -0.83 116.42 116.17 2pn8 h ASP 207 Ca -0.41 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 2pn8 h ASP 207 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 2pn8 h ASP 207 CO 0.35 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.85 2pn8 n LYS 208 N -2.86 2.18 -0.99 4.15 5.02 -1.26 -0.80 118.16 123.59 2pn8 n LYS 208 Ca -0.01 -1.79 0.00 0.00 -2.02 0.00 0.00 58.31 54.49 2pn8 n LYS 208 Cb 0.16 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 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 1.34 0.44 3.80 0.72 0.00 -0.32 -5.01 105.19 106.17 2pn8 n GLY 209 Ca 0.18 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 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 5.04 -0.07 -0.61 -1.09 -1.26 -0.85 121.20 120.35 2pn8 s ILE 210 Ca 0.00 0.90 -0.30 0.00 -2.23 0.00 0.00 60.65 59.03 2pn8 s ILE 210 Cb 0.00 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 2pn8 s ILE 210 CO 0.00 0.51 1.17 -0.22 -1.23 0.00 0.00 174.94 175.17 2pn8 s LEU 211 N -0.64 4.26 -0.10 2.97 2.96 -0.32 -1.17 118.68 126.66 2pn8 s LEU 211 Ca 0.25 1.75 0.10 0.00 -0.22 0.00 0.00 54.13 56.00 2pn8 s LEU 211 Cb -0.17 -3.56 -0.15 0.00 0.50 0.00 0.00 46.19 42.82 2pn8 s LEU 211 CO 0.13 -0.57 0.07 0.54 -1.32 0.00 0.00 176.35 175.20 2pn8 n ARG 212 N 5.27 1.89 -3.71 1.98 5.12 0.40 -4.63 116.66 122.99 2pn8 n ARG 212 Ca 0.11 -0.02 -0.13 0.00 -1.93 0.00 0.00 57.85 55.88 2pn8 n ARG 212 Cb 0.47 -1.29 -0.10 0.00 -1.16 0.00 0.00 32.46 30.38 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 -2.36 0.51 -0.11 5.56 -0.44 -1.15 -4.98 119.66 116.70 2pn8 s GLN 213 Ca -0.05 0.67 0.02 0.00 -2.50 0.00 0.00 55.36 53.50 2pn8 s GLN 213 Cb 0.04 0.21 0.02 0.00 -1.64 0.00 0.00 33.01 31.64 2pn8 s GLN 213 CO 0.46 -0.08 -0.15 0.42 0.50 0.00 0.00 175.29 176.45 2pn8 s ILE 214 N 0.47 1.44 -0.17 -2.34 1.01 -1.26 -1.00 121.20 119.35 2pn8 s ILE 214 Ca -0.02 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.03 2pn8 s ILE 214 Cb -0.04 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 41.13 2pn8 s ILE 214 CO -0.02 0.43 -0.16 -0.89 0.00 0.00 0.00 174.94 174.29 2pn8 s THR 215 N 1.00 1.84 -0.22 2.92 2.01 0.13 -4.99 115.64 118.32 2pn8 s THR 215 Ca -0.07 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.09 2pn8 s THR 215 Cb -0.15 -1.72 0.05 0.00 0.01 0.00 0.00 72.50 70.69 2pn8 s THR 215 CO -0.02 0.45 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.48 2pn8 s LEU 216 N 1.37 2.76 -0.11 4.42 1.43 -1.26 0.11 118.68 127.39 2pn8 s LEU 216 Ca 0.04 -1.08 -0.03 0.00 -1.03 0.00 0.00 54.13 52.03 2pn8 s LEU 216 Cb -0.14 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 2pn8 s LEU 216 CO -0.11 -0.14 0.02 0.20 0.23 0.00 0.00 176.35 176.54 2pn8 s ASN 217 N 1.26 5.34 0.97 2.29 -0.87 0.08 -5.00 114.94 119.00 2pn8 s ASN 217 Ca -0.04 0.14 -0.12 0.00 -1.57 0.00 0.00 52.86 51.28 2pn8 s ASN 217 Cb -0.17 -1.61 0.13 0.00 -0.02 0.00 0.00 41.25 39.57 2pn8 s ASN 217 CO -0.08 0.34 0.85 -0.67 -2.57 0.00 0.00 177.10 174.97 2pn8 n ASP 218 N 2.43 -0.78 -0.31 -1.22 2.03 -1.26 -2.12 116.55 115.32 2pn8 n ASP 218 Ca -0.18 0.30 0.03 0.00 0.52 0.00 0.00 54.79 55.45 2pn8 n ASP 218 Cb 0.53 -1.34 0.22 0.00 -0.72 0.00 0.00 41.12 39.81 2pn8 n ASP 218 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2pn8 h LEU 219 N -1.91 0.94 -0.09 -2.67 3.38 -1.97 -3.15 115.31 109.84 2pn8 h LEU 219 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2pn8 h LEU 219 Cb 1.29 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2pn8 h LEU 219 CO 0.40 0.62 0.00 -0.81 0.09 0.00 0.00 178.44 178.74 2pn8 n PRO 220 N -4.48 1.06 -3.91 1.13 -0.04 -1.26 -4.76 135.00 122.75 2pn8 n PRO 220 Ca 0.13 -0.09 -0.28 0.00 -0.04 0.00 0.00 63.50 63.23 2pn8 n PRO 220 Cb 0.17 -1.49 -0.17 0.00 -0.04 0.00 0.00 33.50 31.97 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 1.11 0.73 0.52 1.01 -1.19 -5.03 120.40 115.54 2pn8 s VAL 221 Ca 0.47 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 2pn8 s VAL 221 Cb 0.22 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.44 2pn8 s VAL 221 CO 0.36 0.26 1.08 -0.83 0.00 0.00 0.00 175.10 175.97 2pn8 s GLY 222 N 1.66 1.74 0.89 4.51 0.00 -1.26 -4.76 107.32 110.09 2pn8 s GLY 222 Ca 0.03 0.24 -0.11 0.00 0.00 0.00 0.00 44.72 44.88 2pn8 s GLY 222 CO -0.08 0.58 1.21 0.54 0.00 0.00 0.00 173.10 175.35 2pn8 n ARG 223 N -3.23 -0.91 -4.38 2.90 1.74 -1.26 -5.09 116.66 106.43 2pn8 n ARG 223 Ca 0.09 -2.23 -0.30 0.00 -0.77 0.00 0.00 57.85 54.64 2pn8 n ARG 223 Cb 0.53 -1.13 -0.17 0.00 -1.02 0.00 0.00 32.46 30.67 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 -5.54 2.64 0.14 0.55 0.15 -1.26 -5.01 113.70 105.36 2pn8 s SER 224 Ca 0.71 -0.48 -0.12 0.00 0.70 0.00 0.00 55.95 56.76 2pn8 s SER 224 Cb -0.02 -1.19 -0.02 0.00 -1.71 0.00 0.00 66.02 63.08 2pn8 s SER 224 CO 0.49 0.01 1.53 0.58 1.20 0.00 0.00 173.24 177.05 2pn8 h VAL 225 N 5.96 1.28 -0.37 4.45 2.07 -1.97 -2.05 116.25 125.61 2pn8 h VAL 225 Ca -0.34 -1.27 0.08 0.00 0.82 0.00 0.00 66.70 65.99 2pn8 h VAL 225 Cb 1.17 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 32.06 2pn8 h VAL 225 CO 0.52 0.43 -0.11 0.44 0.02 0.00 0.00 177.57 178.87 2pn8 h ASP 226 N 0.68 -0.39 -0.25 0.57 3.32 -1.99 0.16 116.42 118.52 2pn8 h ASP 226 Ca 0.10 0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 2pn8 h ASP 226 Cb 0.70 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 2pn8 h ASP 226 CO 0.05 -0.14 -0.27 -0.08 -1.72 0.00 0.00 179.24 177.08 2pn8 h GLU 227 N -0.02 0.74 -0.48 3.56 4.57 -1.98 -1.42 114.58 119.55 2pn8 h GLU 227 Ca 0.18 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 2pn8 h GLU 227 Cb 0.30 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2pn8 h GLU 227 CO -0.39 0.92 0.22 1.15 -1.18 0.00 0.00 179.01 179.73 2pn8 h THR 228 N 0.64 1.19 -0.44 0.32 2.02 -0.94 -1.85 112.91 113.84 2pn8 h THR 228 Ca 0.08 -0.55 0.03 0.00 0.77 0.00 0.00 66.41 66.74 2pn8 h THR 228 Cb 0.78 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 2pn8 h THR 228 CO 0.06 0.21 0.24 -0.07 0.37 0.00 0.00 175.52 176.33 2pn8 h LEU 229 N 0.63 0.36 -0.63 2.58 3.38 -0.77 -1.33 115.31 119.54 2pn8 h LEU 229 Ca 0.16 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2pn8 h LEU 229 Cb 0.13 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2pn8 h LEU 229 CO -0.02 0.25 0.36 -0.09 0.09 0.00 0.00 178.44 179.03 2pn8 h ARG 230 N 0.47 0.66 -0.24 1.13 2.43 -0.98 -0.46 114.38 117.39 2pn8 h ARG 230 Ca 0.19 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 2pn8 h ARG 230 Cb 0.07 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2pn8 h ARG 230 CO -0.12 0.44 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.55 2pn8 h LEU 231 N 0.68 0.55 -0.37 3.80 3.38 -1.07 0.25 115.31 122.53 2pn8 h LEU 231 Ca 0.27 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.84 2pn8 h LEU 231 Cb 0.12 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2pn8 h LEU 231 CO -0.15 0.87 0.16 0.58 0.09 0.00 0.00 178.44 179.99 2pn8 h VAL 232 N 0.23 0.93 -0.67 1.22 2.07 -1.03 -0.04 116.25 118.97 2pn8 h VAL 232 Ca 0.05 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.48 2pn8 h VAL 232 Cb 0.68 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2pn8 h VAL 232 CO 0.04 0.06 0.42 1.56 0.02 0.00 0.00 177.57 179.68 2pn8 h GLN 233 N 0.33 0.82 -0.35 1.57 4.20 -0.87 -0.63 115.11 120.17 2pn8 h GLN 233 Ca 0.16 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 2pn8 h GLN 233 Cb 0.11 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2pn8 h GLN 233 CO -0.14 0.54 -0.13 0.00 -0.67 0.00 0.00 178.83 178.42 2pn8 h ALA 234 N 1.28 0.49 -0.64 3.87 0.00 -0.44 -0.19 119.26 123.63 2pn8 h ALA 234 Ca 0.26 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2pn8 h ALA 234 Cb -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2pn8 h ALA 234 CO -0.09 0.38 0.17 0.74 0.00 0.00 0.00 179.25 180.45 2pn8 h PHE 235 N 0.50 1.06 -0.79 0.00 0.04 -0.80 0.13 116.94 117.08 2pn8 h PHE 235 Ca 0.08 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 2pn8 h PHE 235 Cb 0.66 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 2pn8 h PHE 235 CO 0.06 0.88 0.31 1.96 -0.60 0.00 0.00 178.31 180.92 2pn8 h GLN 236 N 0.94 1.19 -0.17 1.51 4.20 -0.97 0.10 115.11 121.91 2pn8 h GLN 236 Ca 0.20 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 2pn8 h GLN 236 Cb 0.34 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2pn8 h GLN 236 CO -0.00 0.96 -0.00 -0.92 -0.67 0.00 0.00 178.83 178.20 2pn8 h TYR 237 N 1.15 0.33 -0.04 2.96 5.03 -0.75 -2.41 116.97 123.25 2pn8 h TYR 237 Ca 0.26 -0.06 -0.11 0.00 2.58 0.00 0.00 58.73 61.41 2pn8 h TYR 237 Cb 0.22 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.40 2pn8 h TYR 237 CO 0.02 0.51 -0.47 1.79 -1.32 0.00 0.00 178.16 178.70 2pn8 h THR 238 N 0.04 1.34 -0.81 1.81 1.35 -0.84 -0.58 112.91 115.22 2pn8 h THR 238 Ca 0.05 -1.63 0.07 0.00 -0.55 0.00 0.00 66.41 64.34 2pn8 h THR 238 Cb 0.39 1.84 -0.06 0.00 -1.73 0.00 0.00 68.15 68.58 2pn8 h THR 238 CO 0.01 0.47 0.48 0.44 -0.25 0.00 0.00 175.52 176.68 2pn8 h ASP 239 N 0.07 0.74 0.70 5.36 3.32 -0.64 -3.19 116.42 122.78 2pn8 h ASP 239 Ca 0.00 0.03 -0.26 0.00 0.02 0.00 0.00 57.03 56.82 2pn8 h ASP 239 Cb 0.86 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 2pn8 h ASP 239 CO 0.07 0.46 -1.36 0.50 -1.72 0.00 0.00 179.24 177.18 2pn8 h LYS 240 N 0.87 0.05 -6.36 3.56 3.64 -0.93 -3.48 116.57 113.92 2pn8 h LYS 240 Ca 0.36 -0.09 -0.61 0.00 -1.27 0.00 0.00 60.65 59.05 2pn8 h LYS 240 Cb 0.22 0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 31.94 2pn8 h LYS 240 CO -0.19 0.85 -0.71 -1.01 -2.27 0.00 0.00 179.45 176.11 2pn8 s HIS 241 N -2.65 2.58 -0.42 1.91 3.76 -0.27 -5.01 115.29 115.19 2pn8 s HIS 241 Ca -0.03 -0.24 -0.06 0.00 -0.15 0.00 0.00 55.06 54.58 2pn8 s HIS 241 Cb 0.09 -1.21 -0.10 0.00 1.11 0.00 0.00 32.58 32.46 2pn8 s HIS 241 CO 0.83 0.57 3.16 0.41 -0.85 0.00 0.00 174.74 178.86 2pn8 n GLY 242 N -0.28 3.78 3.13 -2.22 0.00 -1.26 -4.71 105.19 103.63 2pn8 n GLY 242 Ca -0.09 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.06 0.67 0.21 1.61 2.02 -1.26 -4.43 118.70 117.47 2pn8 s GLU 243 Ca 0.63 -0.96 0.11 0.00 0.02 0.00 0.00 54.97 54.77 2pn8 s GLU 243 Cb 0.32 0.26 -0.05 0.00 0.10 0.00 0.00 34.13 34.76 2pn8 s GLU 243 CO -0.10 -0.17 -0.22 0.14 0.02 0.00 0.00 175.26 174.93 2pn8 s VAL 244 N -3.40 2.45 -0.34 2.63 -7.23 0.53 -4.61 120.40 110.43 2pn8 s VAL 244 Ca 0.02 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 57.98 2pn8 s VAL 244 Cb 0.04 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 2pn8 s VAL 244 CO -0.08 -0.18 0.22 0.00 -0.31 0.00 0.00 175.10 174.74 2pn8 n PRO 246 N 5.07 -1.39 -1.53 0.00 -0.02 -1.26 -4.85 135.00 131.02 2pn8 n PRO 246 Ca -0.13 -0.36 -0.55 0.00 -2.02 0.00 0.00 63.50 60.44 2pn8 n PRO 246 Cb 0.49 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.69 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 -4.55 -2.48 -1.01 3.55 0.00 -1.26 -1.94 120.51 112.82 2pn8 n ALA 247 Ca 0.07 0.55 -0.00 0.00 0.00 0.00 0.00 53.44 54.06 2pn8 n ALA 247 Cb 0.53 -1.87 -0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 1.90 0.36 3.65 0.00 0.00 -1.26 -4.96 105.19 104.87 2pn8 n GLY 248 Ca 0.19 -0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.65 1.88 -4.27 1.61 -0.00 -0.82 -5.02 117.44 108.16 2pn8 n TRP 249 Ca -0.00 0.55 -0.15 0.00 -0.00 0.00 0.00 57.50 57.89 2pn8 n TRP 249 Cb 0.18 -2.38 -0.10 0.00 -0.00 0.00 0.00 31.31 29.01 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 -0.94 1.14 0.08 5.87 1.02 -1.26 -4.96 119.74 120.68 2pn8 s LYS 250 Ca 0.64 -1.50 -0.37 0.00 0.02 0.00 0.00 55.97 54.76 2pn8 s LYS 250 Cb -0.67 -0.68 -0.17 0.00 -0.52 0.00 0.00 37.83 35.78 2pn8 s LYS 250 CO 0.55 0.06 1.23 -2.30 -0.92 0.00 0.00 175.35 173.97 2pn8 n PRO 251 N -0.26 0.83 0.00 -1.68 -0.02 -1.26 -0.87 135.00 131.74 2pn8 n PRO 251 Ca -0.09 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2pn8 n PRO 251 Cb 0.61 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 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 2.18 2.81 3.86 -1.23 0.00 -1.26 -5.08 105.19 106.47 2pn8 n GLY 252 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.27 5.74 0.45 1.61 0.01 -0.05 -5.02 113.70 115.16 2pn8 s SER 253 Ca 0.00 1.40 -0.23 0.00 1.31 0.00 0.00 55.95 58.43 2pn8 s SER 253 Cb 0.00 -2.34 -0.08 0.00 0.21 0.00 0.00 66.02 63.81 2pn8 s SER 253 CO 0.00 -1.18 1.14 -1.61 0.41 0.00 0.00 173.24 172.00 2pn8 s GLU 254 N -5.18 3.81 0.44 12.44 2.02 -1.26 -4.95 118.70 126.02 2pn8 s GLU 254 Ca 0.57 1.72 0.04 0.00 0.02 0.00 0.00 54.97 57.31 2pn8 s GLU 254 Cb -0.12 -2.40 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 2pn8 s GLU 254 CO 0.54 -0.50 0.04 0.95 0.02 0.00 0.00 175.26 176.31 2pn8 s THR 255 N -1.58 1.27 -0.04 3.63 -4.23 -1.26 -4.48 115.64 108.94 2pn8 s THR 255 Ca 0.63 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.20 2pn8 s THR 255 Cb -0.27 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 2pn8 s THR 255 CO 0.33 0.00 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.56 2pn8 s ILE 256 N -2.96 1.77 -0.34 2.99 1.01 -0.63 -4.72 121.20 118.32 2pn8 s ILE 256 Ca 0.21 -0.93 -0.25 0.00 0.00 0.00 0.00 60.65 59.68 2pn8 s ILE 256 Cb 0.05 -1.49 0.01 0.00 0.01 0.00 0.00 42.46 41.04 2pn8 s ILE 256 CO 0.11 0.50 0.87 -0.63 0.00 0.00 0.00 174.94 175.79 2pn8 s ILE 257 N -0.26 4.68 -1.46 2.92 1.01 -1.26 -0.35 121.20 126.47 2pn8 s ILE 257 Ca 0.01 1.21 -0.14 0.00 0.00 0.00 0.00 60.65 61.74 2pn8 s ILE 257 Cb -0.11 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.12 2pn8 s ILE 257 CO 0.01 -0.40 2.32 -0.81 0.00 0.00 0.00 174.94 176.05 2pn8 n PRO 258 N 6.51 2.92 -3.82 2.79 -0.04 -1.26 -2.34 135.00 139.76 2pn8 n PRO 258 Ca 0.06 -2.52 -0.12 0.00 -0.04 0.00 0.00 63.50 60.87 2pn8 n PRO 258 Cb 0.48 -3.21 -0.12 0.00 -0.04 0.00 0.00 33.50 30.61 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 3.12 -0.15 0.50 3.54 2.15 -1.26 -5.01 116.67 119.57 2pn8 s ASP 259 Ca 0.50 0.27 0.23 0.00 0.43 0.00 0.00 52.55 53.98 2pn8 s ASP 259 Cb 0.15 0.32 1.31 0.00 -0.30 0.00 0.00 42.92 44.40 2pn8 s ASP 259 CO -0.08 -0.09 1.97 -0.65 -0.17 0.00 0.00 175.17 176.15 2pn8 h PRO 260 N 5.71 0.11 0.00 4.34 0.11 -2.01 -0.37 132.00 139.89 2pn8 h PRO 260 Ca -0.26 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.71 2pn8 h PRO 260 Cb 1.20 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2pn8 h PRO 260 CO 0.40 0.07 -0.88 0.00 -0.21 0.00 0.00 178.00 177.39 2pn8 h ALA 261 N 1.70 0.15 -0.05 -0.75 0.00 -1.97 -3.40 119.26 114.94 2pn8 h ALA 261 Ca 0.30 -0.89 0.01 0.00 0.00 0.00 0.00 54.91 54.33 2pn8 h ALA 261 Cb 1.02 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 2pn8 h ALA 261 CO -0.03 0.56 0.04 0.78 0.00 0.00 0.00 179.25 180.60 2pn8 h GLY 262 N -1.00 0.00 2.00 0.00 0.00 -1.79 -2.27 103.07 100.00 2pn8 h GLY 262 Ca -0.20 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 2pn8 h GLY 262 CO -0.12 0.00 -0.01 0.07 0.00 0.00 0.00 176.54 176.48 2pn8 h LYS 263 N 0.00 0.00 0.00 4.80 2.10 -0.66 -2.71 116.57 120.11 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 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2pn8 h LYS 263 CO -0.00 0.01 0.00 -0.07 -2.00 0.00 0.00 179.45 177.39 2pn8 h LEU 264 N 0.00 0.00 -1.08 7.07 3.38 -1.65 -1.66 115.31 121.37 2pn8 h LEU 264 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2pn8 h LEU 264 Cb 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2pn8 h LEU 264 CO 0.00 0.00 0.44 0.11 0.09 0.00 0.00 178.44 179.08 2pn8 h LYS 265 N 0.00 1.07 0.04 1.13 6.56 -1.68 -0.52 116.57 123.17 2pn8 h LYS 265 Ca 0.00 -0.11 -0.00 0.00 -1.06 0.00 0.00 60.65 59.47 2pn8 h LYS 265 Cb 0.33 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 2pn8 h LYS 265 CO 0.00 0.78 -0.02 -0.92 -2.06 0.00 0.00 179.45 177.23 2pn8 h TYR 266 N 1.08 -0.06 -0.09 -1.35 5.03 -1.51 -3.33 116.97 116.75 2pn8 h TYR 266 Ca 0.28 -0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.44 2pn8 h TYR 266 Cb 0.01 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.30 2pn8 h TYR 266 CO 0.01 0.59 -0.56 0.74 -1.32 0.00 0.00 178.16 177.61 2pn8 h PHE 267 N -0.86 0.34 0.00 -3.82 0.04 -1.34 -1.38 116.94 109.92 2pn8 h PHE 267 Ca -0.01 -0.12 -0.03 0.00 2.80 0.00 0.00 57.97 60.61 2pn8 h PHE 267 Cb 0.67 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.75 2pn8 h PHE 267 CO 0.16 0.77 -0.15 0.22 -0.60 0.00 0.00 178.31 178.71 2pn8 h ASP 268 N 0.21 0.00 0.00 2.17 3.58 -1.28 -3.50 116.42 117.59 2pn8 h ASP 268 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2pn8 h ASP 268 Cb 1.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2pn8 h ASP 268 CO 0.09 0.15 0.00 0.29 -2.88 0.00 0.00 179.24 176.89