#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 0.49 0.37 -0.72 -0.71 -1.26 -5.16 117.98 111.00 2pn8 s PHE 80 Ca 0.00 -0.84 -0.25 0.00 -1.04 0.00 0.00 56.93 54.79 2pn8 s PHE 80 Cb 0.00 0.12 -0.09 0.00 -1.21 0.00 0.00 43.02 41.85 2pn8 s PHE 80 CO 0.00 -1.00 1.09 -0.65 -1.34 0.00 0.00 175.22 173.32 2pn8 s GLN 81 N -3.86 4.23 -1.11 1.99 -0.21 -1.26 -4.15 119.66 115.29 2pn8 s GLN 81 Ca 0.24 1.66 -0.01 0.00 0.02 0.00 0.00 55.36 57.28 2pn8 s GLN 81 Cb -0.00 -2.71 -0.01 0.00 1.00 0.00 0.00 33.01 31.28 2pn8 s GLN 81 CO 0.11 -0.12 0.93 0.43 -2.12 0.00 0.00 175.29 174.52 2pn8 n SER 82 N 0.23 -2.71 -4.71 5.90 7.64 -1.26 -4.96 113.62 113.75 2pn8 n SER 82 Ca 0.04 -0.60 -0.42 0.00 1.01 0.00 0.00 58.87 58.90 2pn8 n SER 82 Cb 0.48 -4.88 -0.03 0.00 -1.01 0.00 0.00 64.21 58.77 2pn8 n SER 82 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2pn8 s MET 83 N -5.13 4.54 0.40 1.43 1.75 -1.26 -4.91 119.30 116.13 2pn8 s MET 83 Ca 0.07 1.43 -0.26 0.00 -1.25 0.00 0.00 55.69 55.67 2pn8 s MET 83 Cb -0.01 -3.46 -0.09 0.00 2.84 0.00 0.00 34.83 34.11 2pn8 s MET 83 CO 0.69 -0.08 1.31 -2.14 -0.65 0.00 0.00 175.02 174.15 2pn8 s PRO 84 N 1.10 3.98 0.30 4.11 0.02 -1.26 -1.02 135.00 142.22 2pn8 s PRO 84 Ca 0.52 2.18 -0.29 0.00 0.02 0.00 0.00 61.00 63.43 2pn8 s PRO 84 Cb -0.21 -2.77 -0.11 0.00 0.02 0.00 0.00 34.50 31.43 2pn8 s PRO 84 CO 0.27 -0.49 1.47 0.00 -0.33 0.00 0.00 177.00 177.92 2pn8 s ALA 85 N -1.25 3.63 0.28 -1.55 0.00 -0.05 -4.68 121.76 118.14 2pn8 s ALA 85 Ca 0.56 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 53.65 2pn8 s ALA 85 Cb -0.39 -3.58 -0.12 0.00 0.00 0.00 0.00 23.12 19.03 2pn8 s ALA 85 CO 0.50 -0.85 1.48 -2.30 0.00 0.00 0.00 175.76 174.58 2pn8 n PRO 86 N 1.70 2.34 -1.72 0.00 -0.02 -1.26 -4.92 135.00 131.12 2pn8 n PRO 86 Ca 0.05 0.83 -0.40 0.00 -2.02 0.00 0.00 63.50 61.96 2pn8 n PRO 86 Cb 0.39 -2.53 0.02 0.00 -0.02 0.00 0.00 33.50 31.36 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 1.79 2.22 -3.93 6.00 9.36 -1.26 -5.01 117.16 126.32 2pn8 n TYR 87 Ca 0.09 0.47 -0.10 0.00 3.32 0.00 0.00 57.90 61.68 2pn8 n TYR 87 Cb 0.34 -2.38 -0.10 0.00 -0.63 0.00 0.00 39.34 36.57 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 -1.24 0.18 0.02 2.98 1.48 -1.26 -5.02 118.94 116.08 2pn8 s TRP 88 Ca 0.64 -0.39 -0.09 0.00 -1.06 0.00 0.00 56.10 55.20 2pn8 s TRP 88 Cb -0.47 -0.13 0.00 0.00 -1.16 0.00 0.00 33.47 31.71 2pn8 s TRP 88 CO 0.55 -0.25 0.19 -1.83 -4.06 0.00 0.00 176.95 171.55 2pn8 s GLU 89 N -1.63 0.61 0.00 3.25 -1.05 -1.26 -1.00 118.70 117.61 2pn8 s GLU 89 Ca -0.14 -0.50 0.00 0.00 -0.15 0.00 0.00 54.97 54.19 2pn8 s GLU 89 Cb -0.08 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.87 2pn8 s GLU 89 CO -0.01 -0.17 0.00 0.41 0.95 0.00 0.00 175.26 176.45 2pn8 n GLY 90 N 1.03 -1.30 3.70 -3.83 0.00 -0.11 -4.99 105.19 99.70 2pn8 n GLY 90 Ca -0.21 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.50 5.01 0.16 2.61 2.01 -1.26 -0.22 115.64 121.44 2pn8 s THR 91 Ca 0.00 1.47 0.11 0.00 0.31 0.00 0.00 61.69 63.58 2pn8 s THR 91 Cb 0.00 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 2pn8 s THR 91 CO 0.00 0.20 -0.24 0.00 -0.69 0.00 0.00 174.62 173.88 2pn8 s ALA 92 N 1.14 2.38 -0.25 7.40 0.00 0.44 -0.83 121.76 132.04 2pn8 s ALA 92 Ca 0.37 -1.54 -0.20 0.00 0.00 0.00 0.00 51.96 50.60 2pn8 s ALA 92 Cb -0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2pn8 s ALA 92 CO 0.17 0.45 0.60 0.08 0.00 0.00 0.00 175.76 177.06 2pn8 s VAL 93 N -1.43 5.01 -0.08 0.00 1.01 -0.11 -1.05 120.40 123.75 2pn8 s VAL 93 Ca 0.17 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.21 2pn8 s VAL 93 Cb -0.09 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.41 2pn8 s VAL 93 CO 0.08 0.04 -0.03 -0.63 0.00 0.00 0.00 175.10 174.56 2pn8 s ILE 94 N 2.44 0.57 -1.58 2.22 1.01 0.21 -2.07 121.20 124.01 2pn8 s ILE 94 Ca 0.25 -0.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.72 2pn8 s ILE 94 Cb -0.16 -0.67 0.11 0.00 0.01 0.00 0.00 42.46 41.75 2pn8 s ILE 94 CO 0.09 0.28 0.92 0.47 0.00 0.00 0.00 174.94 176.70 2pn8 n ASP 95 N 4.89 -4.28 0.00 3.58 8.00 -1.26 -1.45 116.55 126.04 2pn8 n ASP 95 Ca -0.12 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.53 2pn8 n ASP 95 Cb 0.50 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 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 -1.61 0.52 3.34 0.44 0.00 -1.26 -5.01 105.19 101.61 2pn8 n GLY 96 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.29 1.30 -0.22 1.61 2.02 -0.53 -5.09 118.70 117.50 2pn8 s GLU 97 Ca 0.00 -1.38 -0.26 0.00 0.02 0.00 0.00 54.97 53.35 2pn8 s GLU 97 Cb 0.00 -1.46 -0.00 0.00 0.10 0.00 0.00 34.13 32.77 2pn8 s GLU 97 CO 0.00 0.31 0.87 -0.06 0.02 0.00 0.00 175.26 176.40 2pn8 s PHE 98 N -1.77 3.35 0.03 1.61 0.08 -1.26 -0.62 117.98 119.40 2pn8 s PHE 98 Ca 0.15 1.24 0.03 0.00 0.12 0.00 0.00 56.93 58.46 2pn8 s PHE 98 Cb -0.07 -3.09 -0.02 0.00 -0.57 0.00 0.00 43.02 39.27 2pn8 s PHE 98 CO 0.07 -0.37 -0.09 0.15 -0.10 0.00 0.00 175.22 174.87 2pn8 s LYS 99 N 2.73 0.64 0.18 0.44 -0.14 -0.21 -4.97 119.74 118.40 2pn8 s LYS 99 Ca 0.38 -0.65 -0.30 0.00 -1.36 0.00 0.00 55.97 54.04 2pn8 s LYS 99 Cb -0.16 -0.54 -0.08 0.00 -1.68 0.00 0.00 37.83 35.38 2pn8 s LYS 99 CO 0.08 0.12 1.12 -1.21 -0.76 0.00 0.00 175.35 174.71 2pn8 s GLU 100 N -1.16 4.57 0.02 1.68 0.41 -1.26 -0.42 118.70 122.54 2pn8 s GLU 100 Ca -0.04 1.75 0.04 0.00 -0.41 0.00 0.00 54.97 56.31 2pn8 s GLU 100 Cb -0.08 -3.27 -0.02 0.00 -1.78 0.00 0.00 34.13 28.99 2pn8 s GLU 100 CO 0.01 0.03 -0.12 -1.17 -0.49 0.00 0.00 175.26 173.52 2pn8 s LEU 101 N -0.32 2.11 0.04 1.80 2.96 0.69 -4.90 118.68 121.07 2pn8 s LEU 101 Ca 0.50 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 2pn8 s LEU 101 Cb -0.30 -0.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.85 2pn8 s LEU 101 CO 0.35 0.05 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.81 2pn8 s LYS 102 N -0.77 0.53 0.25 1.98 1.02 -1.26 -0.93 119.74 120.56 2pn8 s LYS 102 Ca 0.01 -0.69 -0.05 0.00 0.02 0.00 0.00 55.97 55.27 2pn8 s LYS 102 Cb -0.06 -0.34 0.31 0.00 -0.52 0.00 0.00 37.83 37.21 2pn8 s LYS 102 CO 0.00 0.07 1.91 1.25 -0.92 0.00 0.00 175.35 177.66 2pn8 h LEU 103 N 4.71 1.08 -1.43 3.17 5.85 -1.46 -1.69 115.31 125.53 2pn8 h LEU 103 Ca -0.35 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2pn8 h LEU 103 Cb 1.20 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2pn8 h LEU 103 CO 0.42 0.75 0.00 0.71 -0.34 0.00 0.00 178.44 179.98 2pn8 h THR 104 N 1.26 0.00 0.00 1.05 1.35 -1.97 -1.48 112.91 113.12 2pn8 h THR 104 Ca 0.39 -0.14 -0.00 0.00 -0.55 0.00 0.00 66.41 66.11 2pn8 h THR 104 Cb -0.03 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 67.23 2pn8 h THR 104 CO -0.12 0.00 -0.01 0.44 -0.25 0.00 0.00 175.52 175.59 2pn8 h ASP 105 N 0.00 0.00 -0.24 5.36 3.32 -1.71 -2.79 116.42 120.37 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 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2pn8 h ASP 105 CO 0.00 0.01 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 2pn8 n TYR 106 N -3.21 0.29 -1.75 4.55 4.01 -0.56 -4.97 117.16 115.52 2pn8 n TYR 106 Ca -0.03 -0.15 -0.41 0.00 -0.16 0.00 0.00 57.90 57.16 2pn8 n TYR 106 Cb 0.11 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 2pn8 n TYR 106 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2pn8 n ARG 107 N 1.41 2.40 0.00 -0.72 5.12 -1.05 -1.46 116.66 122.35 2pn8 n ARG 107 Ca 0.17 0.85 0.00 0.00 -1.93 0.00 0.00 57.85 56.93 2pn8 n ARG 107 Cb 0.59 -2.57 0.00 0.00 -1.16 0.00 0.00 32.46 29.33 2pn8 n ARG 107 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pn8 n GLY 108 N 0.58 1.71 3.24 -0.13 0.00 -0.08 -5.04 105.19 105.46 2pn8 n GLY 108 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.57 1.02 0.51 1.61 1.02 -0.54 -4.85 119.74 117.94 2pn8 s LYS 109 Ca 0.00 -1.16 -0.21 0.00 0.02 0.00 0.00 55.97 54.62 2pn8 s LYS 109 Cb 0.00 -1.05 -0.06 0.00 -0.52 0.00 0.00 37.83 36.20 2pn8 s LYS 109 CO 0.00 0.22 1.17 0.71 -0.92 0.00 0.00 175.35 176.53 2pn8 s TYR 110 N -1.66 2.71 -0.06 3.18 1.51 -0.78 -3.14 117.35 119.10 2pn8 s TYR 110 Ca 0.06 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.65 2pn8 s TYR 110 Cb -0.08 -3.39 0.02 0.00 -0.11 0.00 0.00 41.96 38.41 2pn8 s TYR 110 CO 0.04 -1.71 -0.05 -1.17 -1.11 0.00 0.00 175.55 171.55 2pn8 s LEU 111 N -3.45 1.16 -0.47 -1.29 2.96 0.51 -1.11 118.68 116.99 2pn8 s LEU 111 Ca 0.69 -0.17 -0.21 0.00 -0.22 0.00 0.00 54.13 54.22 2pn8 s LEU 111 Cb -0.28 -0.56 0.03 0.00 0.50 0.00 0.00 46.19 45.89 2pn8 s LEU 111 CO 0.33 -0.09 0.69 -0.69 -1.32 0.00 0.00 176.35 175.27 2pn8 s VAL 112 N 1.28 4.77 -0.28 1.68 1.01 0.18 -0.91 120.40 128.13 2pn8 s VAL 112 Ca -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 2pn8 s VAL 112 Cb -0.14 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 32.00 2pn8 s VAL 112 CO -0.02 -0.73 -0.02 0.12 0.00 0.00 0.00 175.10 174.45 2pn8 s PHE 113 N 2.96 3.18 0.02 5.22 5.36 -0.01 -1.08 117.98 133.63 2pn8 s PHE 113 Ca 0.22 -1.68 0.05 0.00 -0.96 0.00 0.00 56.93 54.56 2pn8 s PHE 113 Cb -0.15 -2.10 -0.02 0.00 -0.34 0.00 0.00 43.02 40.41 2pn8 s PHE 113 CO 0.18 -0.76 -0.14 -0.59 -1.46 0.00 0.00 175.22 172.45 2pn8 s PHE 114 N 1.30 1.22 -0.03 10.12 -0.71 -0.42 -0.57 117.98 128.89 2pn8 s PHE 114 Ca -0.03 -0.31 -0.03 0.00 -1.04 0.00 0.00 56.93 55.52 2pn8 s PHE 114 Cb -0.18 -0.75 -0.04 0.00 -1.21 0.00 0.00 43.02 40.84 2pn8 s PHE 114 CO -0.02 0.02 0.17 -0.06 -1.34 0.00 0.00 175.22 173.99 2pn8 s PHE 115 N -0.65 3.55 0.06 3.49 0.08 0.76 -0.54 117.98 124.73 2pn8 s PHE 115 Ca 0.03 0.38 0.05 0.00 0.12 0.00 0.00 56.93 57.51 2pn8 s PHE 115 Cb -0.07 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 2pn8 s PHE 115 CO 0.01 0.66 -0.14 1.52 -0.10 0.00 0.00 175.22 177.17 2pn8 s TYR 116 N -1.27 1.17 0.06 0.36 1.13 0.25 -3.38 117.35 115.67 2pn8 s TYR 116 Ca 0.25 -0.43 -0.17 0.00 -1.41 0.00 0.00 57.07 55.31 2pn8 s TYR 116 Cb -0.12 -0.67 -0.06 0.00 -1.10 0.00 0.00 41.96 40.00 2pn8 s TYR 116 CO 0.16 0.04 1.27 -1.35 -2.51 0.00 0.00 175.55 173.17 2pn8 h PRO 117 N 4.49 -0.26 -2.28 -3.49 0.11 -1.74 -3.38 132.00 125.44 2pn8 h PRO 117 Ca -0.40 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 2pn8 h PRO 117 Cb 1.19 0.06 -0.22 0.00 0.11 0.00 0.00 31.00 32.13 2pn8 h PRO 117 CO 0.41 -0.17 -0.03 -0.51 -0.21 0.00 0.00 178.00 177.49 2pn8 s LEU 118 N -7.75 -0.36 0.65 2.35 1.43 -1.26 -4.33 118.68 109.41 2pn8 s LEU 118 Ca -0.08 1.22 -0.18 0.00 -1.03 0.00 0.00 54.13 54.07 2pn8 s LEU 118 Cb 0.04 2.04 -0.01 0.00 0.03 0.00 0.00 46.19 48.28 2pn8 s LEU 118 CO 0.31 -0.21 1.28 0.47 0.23 0.00 0.00 176.35 178.42 2pn8 n ASP 119 N 3.11 2.01 -1.68 2.29 9.92 -1.26 -3.23 116.55 127.72 2pn8 n ASP 119 Ca -0.15 0.83 -0.15 0.00 -0.53 0.00 0.00 54.79 54.78 2pn8 n ASP 119 Cb 0.56 -1.55 -0.01 0.00 -0.64 0.00 0.00 41.12 39.48 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 -0.66 -0.77 1.24 3.72 -1.26 -5.01 117.46 112.80 2pn8 n PHE 120 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 2pn8 n PHE 120 Cb 0.48 -3.11 0.00 0.00 -0.94 0.00 0.00 39.48 35.91 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 -3.91 0.00 0.00 4.37 -2.24 -1.20 -5.13 114.28 106.18 2pn8 n THR 121 Ca -0.18 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.60 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 -0.11 4.78 3.72 -1.26 -4.60 117.46 119.99 2pn8 n PHE 122 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 2pn8 n PHE 122 Cb 0.00 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.58 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 1.27 -0.41 -4.37 2.07 -1.96 -3.34 116.25 109.50 2pn8 h VAL 123 Ca 0.00 -1.40 0.08 0.00 0.82 0.00 0.00 66.70 66.20 2pn8 h VAL 123 Cb 0.01 1.23 -0.09 0.00 -1.52 0.00 0.00 31.29 30.91 2pn8 h VAL 123 CO 0.00 0.47 -0.27 0.00 0.02 0.00 0.00 177.57 177.79 2pn8 h PRO 125 N -0.20 0.39 -0.43 0.00 0.13 -1.82 -1.66 132.00 128.42 2pn8 h PRO 125 Ca 0.19 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.21 2pn8 h PRO 125 Cb 0.50 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 2pn8 h PRO 125 CO -0.52 0.35 0.02 1.79 -0.23 0.00 0.00 178.00 179.40 2pn8 h THR 126 N 0.39 1.22 -0.08 1.56 1.35 -1.24 0.70 112.91 116.81 2pn8 h THR 126 Ca 0.10 -0.89 -0.13 0.00 -0.55 0.00 0.00 66.41 64.94 2pn8 h THR 126 Cb 0.13 0.88 0.01 0.00 -1.73 0.00 0.00 68.15 67.44 2pn8 h THR 126 CO -0.01 0.31 -0.44 -0.33 -0.25 0.00 0.00 175.52 174.80 2pn8 h GLU 127 N 0.65 0.45 -0.48 4.72 5.08 -0.85 -0.46 114.58 123.68 2pn8 h GLU 127 Ca 0.13 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 2pn8 h GLU 127 Cb 0.38 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2pn8 h GLU 127 CO 0.01 1.01 0.19 0.82 -1.00 0.00 0.00 179.01 180.04 2pn8 h ILE 128 N 0.00 1.21 -0.53 3.13 2.04 -1.10 -2.10 117.51 120.17 2pn8 h ILE 128 Ca -0.03 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.12 2pn8 h ILE 128 Cb 1.10 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2pn8 h ILE 128 CO 0.09 0.24 0.04 0.40 0.00 0.00 0.00 178.15 178.92 2pn8 h ILE 129 N 0.63 1.26 -0.26 -0.67 2.04 -0.91 -0.54 117.51 119.06 2pn8 h ILE 129 Ca 0.16 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.99 2pn8 h ILE 129 Cb 0.19 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2pn8 h ILE 129 CO -0.01 0.37 0.16 0.00 0.00 0.00 0.00 178.15 178.66 2pn8 h ALA 130 N 0.96 0.34 -0.12 1.87 0.00 -0.85 0.37 119.26 121.83 2pn8 h ALA 130 Ca 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2pn8 h ALA 130 Cb 0.47 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2pn8 h ALA 130 CO 0.02 -0.16 -0.06 0.74 0.00 0.00 0.00 179.25 179.79 2pn8 h PHE 131 N 0.33 0.28 -0.41 0.00 0.04 -1.37 -3.10 116.94 112.72 2pn8 h PHE 131 Ca 0.09 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2pn8 h PHE 131 Cb 0.02 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 2pn8 h PHE 131 CO -0.04 0.59 0.26 0.78 -0.60 0.00 0.00 178.31 179.29 2pn8 h GLY 132 N -0.10 0.59 2.00 -1.45 0.00 -0.93 -1.58 103.07 101.61 2pn8 h GLY 132 Ca 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2pn8 h GLY 132 CO 0.02 0.23 -0.00 -0.55 0.00 0.00 0.00 176.54 176.23 2pn8 h ASP 133 N 0.55 0.00 -0.25 0.19 3.32 -1.01 -2.54 116.42 116.68 2pn8 h ASP 133 Ca 0.15 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 2pn8 h ASP 133 Cb -0.03 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2pn8 h ASP 133 CO -0.03 0.00 -0.01 0.54 -1.72 0.00 0.00 179.24 178.02 2pn8 n ARG 134 N -3.10 2.47 0.04 3.56 1.74 -0.77 -4.80 116.66 115.80 2pn8 n ARG 134 Ca -0.01 -2.89 0.15 0.00 -0.77 0.00 0.00 57.85 54.33 2pn8 n ARG 134 Cb 0.18 -1.80 0.63 0.00 -1.02 0.00 0.00 32.46 30.45 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 1.39 0.10 -1.37 0.55 5.85 -0.87 -1.40 115.31 119.57 2pn8 h LEU 135 Ca 0.05 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2pn8 h LEU 135 Cb 1.44 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 2pn8 h LEU 135 CO 0.23 0.06 -0.21 -0.33 -0.34 0.00 0.00 178.44 177.85 2pn8 h GLU 136 N 0.11 0.00 0.00 1.25 4.39 -1.87 -0.73 114.58 117.74 2pn8 h GLU 136 Ca 0.20 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 2pn8 h GLU 136 Cb 0.65 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2pn8 h GLU 136 CO -0.02 0.21 -0.03 0.93 -1.16 0.00 0.00 179.01 178.93 2pn8 h GLU 137 N 0.00 0.00 0.00 2.33 5.08 -1.65 0.03 114.58 120.37 2pn8 h GLU 137 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 2pn8 h GLU 137 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2pn8 h GLU 137 CO 0.03 0.03 -1.08 1.19 -1.00 0.00 0.00 179.01 178.18 2pn8 n PHE 138 N -3.18 0.92 -0.09 4.33 3.01 -0.77 -4.34 117.46 117.33 2pn8 n PHE 138 Ca -0.01 0.40 0.08 0.00 1.01 0.00 0.00 57.45 58.93 2pn8 n PHE 138 Cb 0.25 -0.98 0.43 0.00 -0.01 0.00 0.00 39.48 39.17 2pn8 n PHE 138 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pn8 h ARG 139 N -1.00 0.56 0.00 -1.08 3.08 -0.52 0.94 114.38 116.36 2pn8 h ARG 139 Ca -0.25 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2pn8 h ARG 139 Cb 1.05 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.98 2pn8 h ARG 139 CO -0.15 0.37 0.00 0.66 -1.07 0.00 0.00 179.97 179.78 2pn8 h SER 140 N 0.58 0.00 -0.74 7.04 4.64 -1.21 -2.35 113.55 121.51 2pn8 h SER 140 Ca 0.25 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.04 2pn8 h SER 140 Cb 0.26 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.97 2pn8 h SER 140 CO -0.07 0.00 -0.60 2.30 -0.87 0.00 0.00 176.83 177.59 2pn8 n ILE 141 N -2.49 2.64 -3.28 0.95 -5.35 0.21 -4.96 119.36 107.07 2pn8 n ILE 141 Ca 0.01 -4.00 -0.24 0.00 -0.27 0.00 0.00 62.75 58.25 2pn8 n ILE 141 Cb 0.23 -1.09 0.04 0.00 -1.74 0.00 0.00 39.64 37.08 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 -0.76 -5.61 -4.11 7.28 5.15 -0.88 -4.87 115.26 111.45 2pn8 n ASN 142 Ca 0.45 -0.40 -0.25 0.00 -0.60 0.00 0.00 54.58 53.78 2pn8 n ASN 142 Cb 0.92 -4.52 -0.16 0.00 -0.53 0.00 0.00 39.78 35.50 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 -3.17 1.28 0.36 -0.44 2.01 -0.50 -1.87 115.64 113.31 2pn8 s THR 143 Ca 0.41 -0.65 0.08 0.00 0.31 0.00 0.00 61.69 61.84 2pn8 s THR 143 Cb -0.19 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 2pn8 s THR 143 CO 0.51 0.37 0.18 -1.61 -0.69 0.00 0.00 174.62 173.38 2pn8 s GLU 144 N -0.04 2.39 -0.04 4.92 0.41 -0.27 -2.00 118.70 124.07 2pn8 s GLU 144 Ca -0.01 -1.58 0.02 0.00 -0.41 0.00 0.00 54.97 52.98 2pn8 s GLU 144 Cb -0.10 -2.18 0.01 0.00 -1.78 0.00 0.00 34.13 30.08 2pn8 s GLU 144 CO 0.01 0.04 -0.07 0.08 -0.49 0.00 0.00 175.26 174.83 2pn8 s VAL 145 N -2.45 0.70 -0.02 2.63 1.01 -1.26 -0.64 120.40 120.36 2pn8 s VAL 145 Ca 0.40 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.14 2pn8 s VAL 145 Cb -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.70 2pn8 s VAL 145 CO 0.23 0.24 -0.10 -0.69 0.00 0.00 0.00 175.10 174.79 2pn8 s VAL 146 N 0.56 0.84 0.11 2.92 1.01 -0.24 -4.25 120.40 121.36 2pn8 s VAL 146 Ca -0.09 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.56 2pn8 s VAL 146 Cb -0.12 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2pn8 s VAL 146 CO 0.01 0.26 -0.09 0.00 0.00 0.00 0.00 175.10 175.27 2pn8 s ALA 147 N 0.08 2.98 -0.08 5.51 0.00 -0.78 -1.30 121.76 128.17 2pn8 s ALA 147 Ca -0.02 -1.27 -0.06 0.00 0.00 0.00 0.00 51.96 50.62 2pn8 s ALA 147 Cb -0.08 -0.89 0.03 0.00 0.00 0.00 0.00 23.12 22.18 2pn8 s ALA 147 CO 0.00 0.62 0.20 0.00 0.00 0.00 0.00 175.76 176.59 2pn8 s SER 149 N 0.51 1.06 0.00 0.00 1.04 -0.95 -0.59 113.70 114.78 2pn8 s SER 149 Ca -0.03 -1.51 0.21 0.00 0.48 0.00 0.00 55.95 55.10 2pn8 s SER 149 Cb -0.05 0.38 1.13 0.00 0.10 0.00 0.00 66.02 67.58 2pn8 s SER 149 CO -0.03 -0.88 1.67 1.33 0.98 0.00 0.00 173.24 176.32 2pn8 n VAL 150 N -0.47 0.24 -1.57 5.02 0.24 -1.26 -0.50 118.33 120.03 2pn8 n VAL 150 Ca 0.02 0.06 -0.32 0.00 -2.04 0.00 0.00 64.34 62.07 2pn8 n VAL 150 Cb 0.65 -0.72 0.06 0.00 -1.47 0.00 0.00 33.84 32.36 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 -2.39 5.07 0.73 -1.34 1.01 -1.26 -3.63 116.67 114.85 2pn8 s ASP 151 Ca 0.24 1.81 -0.11 0.00 0.71 0.00 0.00 52.55 55.20 2pn8 s ASP 151 Cb 0.14 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.58 2pn8 s ASP 151 CO 0.30 -1.66 1.07 -0.94 0.21 0.00 0.00 175.17 174.15 2pn8 s SER 152 N -3.22 5.06 0.52 0.27 1.04 -1.26 -3.82 113.70 112.29 2pn8 s SER 152 Ca 0.62 1.65 0.17 0.00 0.48 0.00 0.00 55.95 58.87 2pn8 s SER 152 Cb -0.17 -2.46 1.31 0.00 0.10 0.00 0.00 66.02 64.80 2pn8 s SER 152 CO 0.50 -1.65 2.15 0.06 0.98 0.00 0.00 173.24 175.28 2pn8 h GLN 153 N -0.86 0.00 -0.43 4.02 -0.00 -1.94 -1.45 115.11 114.45 2pn8 h GLN 153 Ca -0.44 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.06 2pn8 h GLN 153 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.69 2pn8 h GLN 153 CO 0.55 0.01 -0.30 0.74 -0.00 0.00 0.00 178.83 179.83 2pn8 h PHE 154 N 0.00 1.13 -0.34 0.06 0.04 -1.99 -1.07 116.94 114.76 2pn8 h PHE 154 Ca -0.00 -0.31 -0.17 0.00 2.80 0.00 0.00 57.97 60.29 2pn8 h PHE 154 Cb 0.01 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 37.91 2pn8 h PHE 154 CO 0.00 1.14 -0.46 1.15 -0.60 0.00 0.00 178.31 179.53 2pn8 h THR 155 N 0.81 1.27 -0.31 -1.55 2.02 -1.84 -1.46 112.91 111.86 2pn8 h THR 155 Ca 0.09 -1.64 0.04 0.00 0.77 0.00 0.00 66.41 65.67 2pn8 h THR 155 Cb 0.89 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.75 2pn8 h THR 155 CO 0.08 0.54 0.06 0.45 0.37 0.00 0.00 175.52 177.03 2pn8 h HIS 156 N 0.72 0.10 -0.18 3.16 3.86 -1.09 -0.44 115.15 121.28 2pn8 h HIS 156 Ca 0.04 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2pn8 h HIS 156 Cb 1.06 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.53 2pn8 h HIS 156 CO 0.07 0.02 0.09 1.25 0.86 0.00 0.00 177.93 180.22 2pn8 h LEU 157 N 0.17 0.24 -0.95 2.43 5.85 -1.10 -0.46 115.31 121.49 2pn8 h LEU 157 Ca 0.15 -0.12 0.17 0.00 0.84 0.00 0.00 57.88 58.92 2pn8 h LEU 157 Cb 0.16 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.02 2pn8 h LEU 157 CO -0.19 0.29 0.54 0.00 -0.34 0.00 0.00 178.44 178.75 2pn8 h ALA 158 N 0.95 1.52 -0.13 1.25 0.00 -0.98 0.53 119.26 122.41 2pn8 h ALA 158 Ca 0.06 0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 2pn8 h ALA 158 Cb 0.12 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2pn8 h ALA 158 CO -0.01 -0.06 -0.79 2.35 0.00 0.00 0.00 179.25 180.75 2pn8 h TRP 159 N 0.72 0.98 -0.93 0.00 7.01 -0.72 -2.50 115.95 120.50 2pn8 h TRP 159 Ca 0.54 -0.44 0.01 0.00 2.11 0.00 0.00 58.89 61.11 2pn8 h TRP 159 Cb 0.80 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.67 2pn8 h TRP 159 CO -0.04 1.26 0.62 0.82 -2.79 0.00 0.00 178.44 178.31 2pn8 h ILE 160 N 0.49 1.24 0.00 2.65 2.04 -0.59 -2.11 117.51 121.22 2pn8 h ILE 160 Ca -0.05 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.37 2pn8 h ILE 160 Cb 1.41 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2pn8 h ILE 160 CO 0.16 0.23 0.00 0.59 0.00 0.00 0.00 178.15 179.13 2pn8 n ASN 161 N -4.40 0.00 -4.72 1.72 3.02 0.13 -2.76 115.26 108.26 2pn8 n ASN 161 Ca 0.11 -0.83 -0.37 0.00 -0.03 0.00 0.00 54.58 53.46 2pn8 n ASN 161 Cb 0.02 -0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 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 -2.05 5.28 0.45 3.41 2.01 -0.87 -4.99 115.64 118.89 2pn8 s THR 162 Ca 0.42 0.64 -0.23 0.00 0.31 0.00 0.00 61.69 62.82 2pn8 s THR 162 Cb 0.20 -3.67 -0.10 0.00 0.01 0.00 0.00 72.50 68.94 2pn8 s THR 162 CO 0.34 0.36 0.98 -2.65 -0.69 0.00 0.00 174.62 172.96 2pn8 n PRO 163 N 3.67 1.25 -0.27 4.92 -0.02 -1.26 -2.74 135.00 140.55 2pn8 n PRO 163 Ca -0.11 0.45 0.06 0.00 -2.02 0.00 0.00 63.50 61.89 2pn8 n PRO 163 Cb 0.52 -2.05 0.29 0.00 -0.02 0.00 0.00 33.50 32.24 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 1.33 0.88 0.00 -0.52 3.08 -1.85 -0.37 114.38 116.93 2pn8 h ARG 164 Ca -0.45 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2pn8 h ARG 164 Cb 1.34 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2pn8 h ARG 164 CO 0.55 0.58 0.00 0.54 -1.07 0.00 0.00 179.97 180.58 2pn8 n ARG 165 N -4.51 0.18 -0.37 0.04 1.74 -1.26 -1.09 116.66 111.38 2pn8 n ARG 165 Ca 0.14 0.53 0.11 0.00 -0.77 0.00 0.00 57.85 57.86 2pn8 n ARG 165 Cb 0.26 -1.93 0.30 0.00 -1.02 0.00 0.00 32.46 30.07 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 -2.28 2.87 -0.65 5.56 6.02 -0.50 -4.93 117.38 123.46 2pn8 n GLN 166 Ca 0.00 -2.61 0.00 0.00 -0.01 0.00 0.00 57.00 54.38 2pn8 n GLN 166 Cb 0.14 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 29.83 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 1.42 0.65 3.53 1.08 0.00 -0.25 -4.97 105.19 106.65 2pn8 n GLY 167 Ca 0.23 -0.20 -0.24 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 -2.65 -0.40 0.09 -0.02 0.00 -0.27 -4.78 105.19 97.16 2pn8 n GLY 168 Ca 0.00 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 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 1.07 0.00 0.99 4.77 -0.85 -3.99 117.00 118.99 2pn8 n LEU 169 Ca 0.15 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2pn8 n LEU 169 Cb 0.53 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2pn8 n LEU 169 CO 0.37 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 2pn8 n GLY 170 N 1.68 2.80 3.66 -0.72 0.00 -1.11 -4.63 105.19 106.87 2pn8 n GLY 170 Ca -0.23 -0.37 -0.45 0.00 0.00 0.00 0.00 46.02 44.98 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 13.73 2.52 -4.14 1.61 -0.02 -1.26 -4.87 135.00 142.57 2pn8 n PRO 171 Ca 0.00 0.91 -0.18 0.00 -2.02 0.00 0.00 63.50 62.20 2pn8 n PRO 171 Cb 0.00 -2.88 -0.16 0.00 -0.02 0.00 0.00 33.50 30.44 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 4.66 0.45 0.00 4.25 2.07 -1.26 -4.93 121.20 126.44 2pn8 s ILE 172 Ca 0.92 -0.12 0.00 0.00 -1.41 0.00 0.00 60.65 60.04 2pn8 s ILE 172 Cb -0.53 -0.47 0.00 0.00 0.13 0.00 0.00 42.46 41.59 2pn8 s ILE 172 CO 0.45 0.19 0.45 0.54 -1.91 0.00 0.00 174.94 174.66 2pn8 n ARG 173 N 3.78 -0.72 -3.97 3.50 1.74 -1.26 -4.72 116.66 115.01 2pn8 n ARG 173 Ca -0.23 -0.47 -0.36 0.00 -0.77 0.00 0.00 57.85 56.02 2pn8 n ARG 173 Cb 0.52 -0.93 -0.07 0.00 -1.02 0.00 0.00 32.46 30.97 2pn8 n ARG 173 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2pn8 s ILE 174 N -0.03 5.30 0.40 0.55 -4.36 -1.26 -4.96 121.20 116.83 2pn8 s ILE 174 Ca 0.00 0.10 -0.27 0.00 -0.26 0.00 0.00 60.65 60.23 2pn8 s ILE 174 Cb 0.00 -3.31 -0.10 0.00 1.25 0.00 0.00 42.46 40.31 2pn8 s ILE 174 CO 0.00 0.60 1.42 -2.84 0.24 0.00 0.00 174.94 174.36 2pn8 s PRO 175 N -1.07 3.97 -0.38 0.37 0.02 -1.26 -4.89 135.00 131.76 2pn8 s PRO 175 Ca 0.16 2.42 -0.06 0.00 0.02 0.00 0.00 61.00 63.54 2pn8 s PRO 175 Cb -0.12 -2.84 0.07 0.00 0.02 0.00 0.00 34.50 31.63 2pn8 s PRO 175 CO 0.05 -0.59 0.17 -0.51 -0.33 0.00 0.00 177.00 175.79 2pn8 s LEU 176 N -2.32 4.78 0.08 -5.54 1.43 -0.88 -1.87 118.68 114.36 2pn8 s LEU 176 Ca 0.56 -1.47 -0.23 0.00 -1.03 0.00 0.00 54.13 51.95 2pn8 s LEU 176 Cb -0.44 -1.89 -0.07 0.00 0.03 0.00 0.00 46.19 43.83 2pn8 s LEU 176 CO 0.58 -0.45 0.71 -0.22 0.23 0.00 0.00 176.35 177.20 2pn8 s LEU 177 N 1.35 4.51 -0.18 1.79 2.96 0.71 -0.93 118.68 128.88 2pn8 s LEU 177 Ca 0.02 1.44 -0.10 0.00 -0.22 0.00 0.00 54.13 55.26 2pn8 s LEU 177 Cb -0.22 -3.14 -0.05 0.00 0.50 0.00 0.00 46.19 43.28 2pn8 s LEU 177 CO 0.01 0.14 0.16 -0.55 -1.32 0.00 0.00 176.35 174.79 2pn8 s SER 178 N -0.64 6.28 -0.51 3.68 0.15 -0.01 -2.24 113.70 120.42 2pn8 s SER 178 Ca 0.35 0.32 0.06 0.00 0.70 0.00 0.00 55.95 57.37 2pn8 s SER 178 Cb -0.21 -2.10 0.37 0.00 -1.71 0.00 0.00 66.02 62.38 2pn8 s SER 178 CO 0.22 0.21 0.99 -0.67 1.20 0.00 0.00 173.24 175.20 2pn8 n ASP 179 N 3.24 4.21 -0.36 5.45 2.03 0.35 -4.39 116.55 127.08 2pn8 n ASP 179 Ca -0.16 -3.61 0.07 0.00 0.52 0.00 0.00 54.79 51.60 2pn8 n ASP 179 Cb 0.52 -0.53 0.24 0.00 -0.72 0.00 0.00 41.12 40.63 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 2.84 0.91 -0.15 -2.67 3.38 -1.77 -1.19 115.31 116.67 2pn8 h LEU 180 Ca 0.18 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2pn8 h LEU 180 Cb 0.71 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2pn8 h LEU 180 CO 0.80 0.48 0.00 0.35 0.09 0.00 0.00 178.44 180.16 2pn8 n THR 181 N -4.63 0.60 -0.92 0.22 -2.24 -1.26 -4.90 114.28 101.15 2pn8 n THR 181 Ca 0.19 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 2pn8 n THR 181 Cb 0.35 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 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 -1.80 0.00 -0.17 4.78 8.25 -0.45 -4.92 115.22 120.92 2pn8 n HIS 182 Ca 0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.41 2pn8 n HIS 182 Cb 0.28 -0.71 0.00 0.00 1.12 0.00 0.00 29.99 30.68 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 1.11 0.82 -0.14 -0.41 5.75 -1.91 -1.07 115.11 119.26 2pn8 h GLN 183 Ca 0.00 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.25 2pn8 h GLN 183 Cb 0.23 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.68 2pn8 h GLN 183 CO 0.00 0.83 -0.01 0.82 -2.65 0.00 0.00 178.83 177.82 2pn8 h ILE 184 N 0.69 1.26 -0.57 2.39 2.04 -1.91 -0.57 117.51 120.84 2pn8 h ILE 184 Ca 0.15 -0.85 0.06 0.00 1.00 0.00 0.00 64.86 65.21 2pn8 h ILE 184 Cb 0.42 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 2pn8 h ILE 184 CO 0.01 0.25 0.28 0.28 0.00 0.00 0.00 178.15 178.97 2pn8 h SER 185 N -0.02 0.39 -0.54 1.72 0.02 -1.90 -1.26 113.55 111.97 2pn8 h SER 185 Ca 0.04 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 2pn8 h SER 185 Cb 0.38 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 2pn8 h SER 185 CO 0.01 0.26 0.04 0.11 -1.14 0.00 0.00 176.83 176.11 2pn8 h LYS 186 N 0.53 0.92 -0.05 3.45 1.57 -1.09 -1.35 116.57 120.55 2pn8 h LYS 186 Ca 0.26 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2pn8 h LYS 186 Cb 0.19 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2pn8 h LYS 186 CO -0.19 0.92 -0.06 -0.44 -0.57 0.00 0.00 179.45 179.11 2pn8 h ASP 187 N 0.80 0.06 0.05 0.86 3.32 -0.60 -1.74 116.42 119.18 2pn8 h ASP 187 Ca 0.16 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2pn8 h ASP 187 Cb 0.48 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2pn8 h ASP 187 CO 0.02 0.14 -0.08 -1.22 -1.72 0.00 0.00 179.24 176.38 2pn8 n TYR 188 N -4.42 0.00 -1.56 4.55 4.02 -0.52 -4.85 117.16 114.39 2pn8 n TYR 188 Ca -0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.79 2pn8 n TYR 188 Cb 0.17 -0.03 -0.02 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 1.24 0.68 0.32 2.72 0.00 -0.60 -4.92 105.19 104.63 2pn8 n GLY 189 Ca 0.17 -0.62 0.04 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.19 0.01 -2.50 1.61 0.24 -0.68 -5.01 118.33 108.82 2pn8 n VAL 190 Ca -0.09 -0.51 -0.42 0.00 -2.04 0.00 0.00 64.34 61.29 2pn8 n VAL 190 Cb 0.38 1.16 -0.03 0.00 -1.47 0.00 0.00 33.84 33.87 2pn8 n VAL 190 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2pn8 s TYR 191 N -0.66 3.53 -0.38 6.34 5.04 -1.21 -1.52 117.35 128.49 2pn8 s TYR 191 Ca 0.09 1.48 -0.14 0.00 -2.44 0.00 0.00 57.07 56.06 2pn8 s TYR 191 Cb 0.07 -3.32 0.01 0.00 0.35 0.00 0.00 41.96 39.07 2pn8 s TYR 191 CO 0.10 -0.83 0.26 -0.51 -1.34 0.00 0.00 175.55 173.23 2pn8 s LEU 192 N 0.46 4.85 0.37 6.97 1.43 -0.18 -4.93 118.68 127.65 2pn8 s LEU 192 Ca 0.54 -0.77 0.07 0.00 -1.03 0.00 0.00 54.13 52.95 2pn8 s LEU 192 Cb -0.28 -2.13 0.73 0.00 0.03 0.00 0.00 46.19 44.54 2pn8 s LEU 192 CO 0.31 -0.37 1.92 -0.33 0.23 0.00 0.00 176.35 178.11 2pn8 h GLU 193 N 8.55 0.39 0.00 1.70 4.39 -1.95 -0.23 114.58 127.43 2pn8 h GLU 193 Ca -0.28 -0.08 -0.17 0.00 0.34 0.00 0.00 59.36 59.17 2pn8 h GLU 193 Cb 1.13 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 2pn8 h GLU 193 CO 0.69 0.44 -0.83 0.38 -1.16 0.00 0.00 179.01 178.53 2pn8 h ASP 194 N 0.38 0.00 0.16 1.42 2.03 -1.95 -3.37 116.42 115.10 2pn8 h ASP 194 Ca 0.08 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.11 2pn8 h ASP 194 Cb 0.30 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.74 2pn8 h ASP 194 CO 0.01 0.80 -2.10 -1.20 -1.03 0.00 0.00 179.24 175.72 2pn8 n SER 195 N -3.29 0.24 -0.36 4.15 7.64 -0.91 -5.01 113.62 116.08 2pn8 n SER 195 Ca 0.00 0.11 -0.04 0.00 1.01 0.00 0.00 58.87 59.95 2pn8 n SER 195 Cb 0.86 0.89 -0.01 0.00 -1.01 0.00 0.00 64.21 64.94 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 1.60 0.46 3.66 0.23 0.00 -0.14 -5.03 105.19 105.97 2pn8 n GLY 196 Ca -0.23 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.17 0.50 0.59 1.61 -3.43 -1.25 -4.95 115.29 106.19 2pn8 s HIS 197 Ca 0.00 -0.95 -0.05 0.00 -0.80 0.00 0.00 55.06 53.25 2pn8 s HIS 197 Cb 0.00 0.40 0.01 0.00 -1.43 0.00 0.00 32.58 31.56 2pn8 s HIS 197 CO 0.00 -1.32 0.90 0.95 -2.00 0.00 0.00 174.74 173.26 2pn8 s THR 198 N -2.88 3.55 0.02 -5.38 -4.23 -1.26 -1.01 115.64 104.44 2pn8 s THR 198 Ca 0.22 -0.06 -0.00 0.00 -1.18 0.00 0.00 61.69 60.67 2pn8 s THR 198 Cb -0.03 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.40 2pn8 s THR 198 CO 0.14 -0.41 0.02 0.00 -0.54 0.00 0.00 174.62 173.83 2pn8 n LEU 199 N -2.58 0.00 -4.41 4.79 -0.00 -0.57 -3.94 117.00 110.28 2pn8 n LEU 199 Ca 0.05 -0.03 -0.44 0.00 -0.00 0.00 0.00 56.01 55.59 2pn8 n LEU 199 Cb 0.58 -0.02 -0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2pn8 n LEU 199 CO 0.52 -0.51 1.14 -0.13 -0.00 0.00 0.00 177.39 178.41 2pn8 s ARG 200 N -2.94 4.13 -0.26 1.47 0.52 -0.97 -4.23 118.95 116.67 2pn8 s ARG 200 Ca 0.01 -2.83 -0.10 0.00 -0.52 0.00 0.00 55.73 52.29 2pn8 s ARG 200 Cb -0.00 -4.86 -0.05 0.00 0.52 0.00 0.00 34.95 30.57 2pn8 s ARG 200 CO 0.01 -1.55 0.16 0.20 0.02 0.00 0.00 175.30 174.13 2pn8 s GLY 201 N 2.23 1.92 -0.05 -3.53 0.00 -1.22 -0.99 107.32 105.68 2pn8 s GLY 201 Ca 0.38 -1.02 0.06 0.00 0.00 0.00 0.00 44.72 44.14 2pn8 s GLY 201 CO -0.03 0.52 -0.22 -2.27 0.00 0.00 0.00 173.10 171.10 2pn8 s LEU 202 N 1.45 2.28 -0.06 0.66 0.20 0.89 -0.17 118.68 123.93 2pn8 s LEU 202 Ca 0.07 -0.41 0.02 0.00 0.69 0.00 0.00 54.13 54.51 2pn8 s LEU 202 Cb -0.15 -1.43 0.01 0.00 -0.43 0.00 0.00 46.19 44.20 2pn8 s LEU 202 CO 0.07 0.29 -0.12 -0.36 -0.29 0.00 0.00 176.35 175.94 2pn8 s PHE 203 N -0.40 1.42 -0.29 5.38 0.08 0.26 -0.65 117.98 123.78 2pn8 s PHE 203 Ca 0.04 -0.51 -0.08 0.00 0.12 0.00 0.00 56.93 56.50 2pn8 s PHE 203 Cb -0.12 -1.04 -0.01 0.00 -0.57 0.00 0.00 43.02 41.28 2pn8 s PHE 203 CO 0.02 -0.26 0.10 0.42 -0.10 0.00 0.00 175.22 175.40 2pn8 s ILE 204 N 0.63 4.29 -0.11 0.64 1.01 -0.41 -0.83 121.20 126.41 2pn8 s ILE 204 Ca -0.14 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.07 2pn8 s ILE 204 Cb -0.15 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 2pn8 s ILE 204 CO 0.03 0.14 -0.15 -0.63 0.00 0.00 0.00 174.94 174.34 2pn8 s ILE 205 N 1.57 2.92 0.86 2.92 1.01 -0.09 -0.40 121.20 130.01 2pn8 s ILE 205 Ca 0.04 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 2pn8 s ILE 205 Cb -0.17 -2.20 0.16 0.00 0.01 0.00 0.00 42.46 40.26 2pn8 s ILE 205 CO 0.04 0.54 1.20 1.51 0.00 0.00 0.00 174.94 178.23 2pn8 s ASP 206 N 0.14 3.70 0.62 3.58 1.47 -0.24 -0.36 116.67 125.58 2pn8 s ASP 206 Ca -0.08 0.16 0.40 0.00 1.18 0.00 0.00 52.55 54.22 2pn8 s ASP 206 Cb -0.15 -0.38 2.03 0.00 -0.34 0.00 0.00 42.92 44.08 2pn8 s ASP 206 CO 0.05 -2.34 2.22 -2.24 0.68 0.00 0.00 175.17 173.55 2pn8 h ASP 207 N -1.21 0.00 0.02 2.11 2.03 -1.87 -0.58 116.42 116.91 2pn8 h ASP 207 Ca -0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 2pn8 h ASP 207 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 2pn8 h ASP 207 CO 0.43 0.00 -0.04 0.29 -1.03 0.00 0.00 179.24 178.89 2pn8 n LYS 208 N -3.07 1.62 -0.57 4.15 4.01 -1.26 -0.91 118.16 122.13 2pn8 n LYS 208 Ca -0.02 -0.99 0.00 0.00 -0.51 0.00 0.00 58.31 56.79 2pn8 n LYS 208 Cb 0.16 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.20 2pn8 n LYS 208 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2pn8 n GLY 209 N 1.21 0.70 3.74 0.72 0.00 -0.23 -5.03 105.19 106.31 2pn8 n GLY 209 Ca 0.18 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 5.10 -0.08 -0.61 -1.09 -1.26 -0.87 121.20 120.40 2pn8 s ILE 210 Ca 0.00 1.02 -0.30 0.00 -2.23 0.00 0.00 60.65 59.14 2pn8 s ILE 210 Cb 0.00 -3.84 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 2pn8 s ILE 210 CO 0.00 0.37 1.30 -0.22 -1.23 0.00 0.00 174.94 175.17 2pn8 s LEU 211 N 0.24 4.26 -0.07 2.97 2.96 -0.19 -1.08 118.68 127.78 2pn8 s LEU 211 Ca 0.27 1.87 0.13 0.00 -0.22 0.00 0.00 54.13 56.18 2pn8 s LEU 211 Cb -0.16 -3.55 -0.19 0.00 0.50 0.00 0.00 46.19 42.79 2pn8 s LEU 211 CO 0.12 -0.70 0.20 0.54 -1.32 0.00 0.00 176.35 175.19 2pn8 n ARG 212 N 5.88 1.05 -3.67 1.98 5.12 0.47 -4.58 116.66 122.90 2pn8 n ARG 212 Ca 0.13 -0.08 -0.13 0.00 -1.93 0.00 0.00 57.85 55.85 2pn8 n ARG 212 Cb 0.45 -1.33 -0.08 0.00 -1.16 0.00 0.00 32.46 30.33 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 -2.69 0.67 -0.07 5.56 -0.44 -1.12 -4.98 119.66 116.59 2pn8 s GLN 213 Ca -0.06 0.87 0.02 0.00 -2.50 0.00 0.00 55.36 53.69 2pn8 s GLN 213 Cb 0.07 0.29 0.02 0.00 -1.64 0.00 0.00 33.01 31.74 2pn8 s GLN 213 CO 0.56 -0.10 -0.11 0.42 0.50 0.00 0.00 175.29 176.56 2pn8 s ILE 214 N 0.55 1.09 -0.18 -2.34 1.01 -1.26 -1.29 121.20 118.78 2pn8 s ILE 214 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.20 2pn8 s ILE 214 Cb -0.05 -1.01 0.04 0.00 0.01 0.00 0.00 42.46 41.45 2pn8 s ILE 214 CO -0.03 0.35 -0.10 -0.89 0.00 0.00 0.00 174.94 174.27 2pn8 s THR 215 N 0.82 1.52 -0.20 2.92 2.01 0.17 -5.00 115.64 117.88 2pn8 s THR 215 Ca -0.12 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.06 2pn8 s THR 215 Cb -0.15 -1.57 0.02 0.00 0.01 0.00 0.00 72.50 70.81 2pn8 s THR 215 CO 0.02 0.24 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.27 2pn8 s LEU 216 N 1.47 2.48 -0.09 4.42 1.43 -1.26 -0.08 118.68 127.05 2pn8 s LEU 216 Ca 0.01 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 2pn8 s LEU 216 Cb -0.15 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 2pn8 s LEU 216 CO -0.09 -0.04 -0.07 0.20 0.23 0.00 0.00 176.35 176.58 2pn8 s ASN 217 N 1.29 4.61 0.94 2.29 -0.87 -0.16 -5.00 114.94 118.04 2pn8 s ASN 217 Ca 0.03 -0.07 -0.11 0.00 -1.57 0.00 0.00 52.86 51.14 2pn8 s ASN 217 Cb -0.14 -1.30 0.14 0.00 -0.02 0.00 0.00 41.25 39.92 2pn8 s ASN 217 CO -0.10 0.31 0.99 -0.67 -2.57 0.00 0.00 177.10 175.06 2pn8 n ASP 218 N 2.55 -0.26 -0.32 -1.22 2.03 -1.26 -2.28 116.55 115.78 2pn8 n ASP 218 Ca -0.18 0.36 0.06 0.00 0.52 0.00 0.00 54.79 55.55 2pn8 n ASP 218 Cb 0.53 -1.41 0.25 0.00 -0.72 0.00 0.00 41.12 39.77 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 -1.90 0.89 0.00 -2.67 3.38 -1.98 -3.12 115.31 109.92 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 1.28 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2pn8 h LEU 219 CO 0.40 0.53 0.00 -0.81 0.09 0.00 0.00 178.44 178.66 2pn8 n PRO 220 N -4.53 0.98 -3.85 1.13 -0.04 -1.26 -4.77 135.00 122.66 2pn8 n PRO 220 Ca 0.16 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.35 2pn8 n PRO 220 Cb 0.28 -1.42 -0.17 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.87 0.72 0.52 1.01 -1.18 -5.03 120.40 115.31 2pn8 s VAL 221 Ca 0.39 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 2pn8 s VAL 221 Cb 0.18 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.54 2pn8 s VAL 221 CO 0.30 0.18 1.07 -0.83 0.00 0.00 0.00 175.10 175.82 2pn8 s GLY 222 N 1.75 1.66 0.93 4.51 0.00 -1.26 -4.77 107.32 110.13 2pn8 s GLY 222 Ca 0.02 0.05 -0.13 0.00 0.00 0.00 0.00 44.72 44.67 2pn8 s GLY 222 CO -0.07 0.38 1.27 0.50 0.00 0.00 0.00 173.10 175.18 2pn8 s ARG 223 N -5.05 0.67 -0.15 2.90 0.52 -1.26 -5.10 118.95 111.48 2pn8 s ARG 223 Ca 0.59 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 55.12 2pn8 s ARG 223 Cb -0.14 -1.95 0.01 0.00 0.52 0.00 0.00 34.95 33.39 2pn8 s ARG 223 CO 0.55 -2.32 -0.20 0.45 0.02 0.00 0.00 175.30 173.80 2pn8 s SER 224 N -4.92 3.01 0.18 0.23 0.15 -1.26 -5.01 113.70 106.08 2pn8 s SER 224 Ca 0.74 -0.59 -0.10 0.00 0.70 0.00 0.00 55.95 56.70 2pn8 s SER 224 Cb -0.03 -1.40 0.07 0.00 -1.71 0.00 0.00 66.02 62.95 2pn8 s SER 224 CO 0.52 0.04 1.65 0.58 1.20 0.00 0.00 173.24 177.23 2pn8 h VAL 225 N 5.89 1.26 -0.52 4.45 2.07 -1.97 -2.13 116.25 125.31 2pn8 h VAL 225 Ca -0.37 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 2pn8 h VAL 225 Cb 1.17 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2pn8 h VAL 225 CO 0.57 0.40 0.30 0.44 0.02 0.00 0.00 177.57 179.30 2pn8 h ASP 226 N 0.95 0.64 -0.47 0.57 3.32 -1.99 0.25 116.42 119.69 2pn8 h ASP 226 Ca 0.18 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 2pn8 h ASP 226 Cb 0.49 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2pn8 h ASP 226 CO 0.02 0.53 0.07 -0.08 -1.72 0.00 0.00 179.24 178.06 2pn8 h GLU 227 N 0.70 0.78 -0.60 3.56 4.57 -1.98 -0.92 114.58 120.69 2pn8 h GLU 227 Ca 0.19 -0.21 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2pn8 h GLU 227 Cb 0.02 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 2pn8 h GLU 227 CO -0.03 0.80 0.40 1.15 -1.18 0.00 0.00 179.01 180.14 2pn8 h THR 228 N 0.65 1.15 -0.66 0.32 2.02 -1.05 -1.41 112.91 113.93 2pn8 h THR 228 Ca 0.14 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 2pn8 h THR 228 Cb 0.40 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2pn8 h THR 228 CO 0.01 0.15 0.33 -0.07 0.37 0.00 0.00 175.52 176.30 2pn8 h LEU 229 N 0.81 0.85 -0.65 2.58 3.38 -0.78 -0.58 115.31 120.92 2pn8 h LEU 229 Ca 0.22 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2pn8 h LEU 229 Cb -0.09 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.38 2pn8 h LEU 229 CO -0.05 0.74 0.35 -0.09 0.09 0.00 0.00 178.44 179.48 2pn8 h ARG 230 N 0.91 0.62 -0.20 1.13 2.43 -0.58 -0.25 114.38 118.45 2pn8 h ARG 230 Ca 0.23 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 2pn8 h ARG 230 Cb 0.10 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2pn8 h ARG 230 CO -0.03 0.41 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.74 2pn8 h LEU 231 N 0.64 0.36 -0.44 3.80 3.38 -0.97 0.49 115.31 122.57 2pn8 h LEU 231 Ca 0.30 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.96 2pn8 h LEU 231 Cb 0.22 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2pn8 h LEU 231 CO -0.20 0.62 0.22 0.58 0.09 0.00 0.00 178.44 179.75 2pn8 h VAL 232 N 0.10 0.97 -0.61 1.22 2.07 -0.85 0.31 116.25 119.45 2pn8 h VAL 232 Ca 0.05 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2pn8 h VAL 232 Cb 0.45 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2pn8 h VAL 232 CO 0.02 0.08 0.40 1.56 0.02 0.00 0.00 177.57 179.65 2pn8 h GLN 233 N 0.44 0.80 -0.45 1.57 4.20 -0.82 -0.81 115.11 120.03 2pn8 h GLN 233 Ca 0.19 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 2pn8 h GLN 233 Cb 0.09 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2pn8 h GLN 233 CO -0.13 0.53 0.13 0.00 -0.67 0.00 0.00 178.83 178.69 2pn8 h ALA 234 N 1.23 0.59 -0.57 3.87 0.00 -0.53 -0.43 119.26 123.43 2pn8 h ALA 234 Ca 0.23 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2pn8 h ALA 234 Cb -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2pn8 h ALA 234 CO -0.05 0.26 -0.05 0.74 0.00 0.00 0.00 179.25 180.15 2pn8 h PHE 235 N 0.60 1.13 -0.69 0.00 0.04 -0.66 -1.26 116.94 116.10 2pn8 h PHE 235 Ca 0.14 -0.21 -0.08 0.00 2.80 0.00 0.00 57.97 60.63 2pn8 h PHE 235 Cb 0.29 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 2pn8 h PHE 235 CO 0.02 1.02 0.13 1.96 -0.60 0.00 0.00 178.31 180.84 2pn8 h GLN 236 N 0.93 1.12 -0.15 1.51 4.20 -0.98 -0.88 115.11 120.87 2pn8 h GLN 236 Ca 0.16 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 2pn8 h GLN 236 Cb 0.61 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2pn8 h GLN 236 CO 0.04 1.01 0.07 -0.92 -0.67 0.00 0.00 178.83 178.36 2pn8 h TYR 237 N 1.05 0.23 -0.35 2.96 5.03 -0.71 -1.83 116.97 123.34 2pn8 h TYR 237 Ca 0.21 -0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.41 2pn8 h TYR 237 Cb 0.42 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.61 2pn8 h TYR 237 CO 0.03 0.27 -0.20 1.79 -1.32 0.00 0.00 178.16 178.73 2pn8 h THR 238 N 0.11 1.26 -0.65 1.81 1.35 -1.15 0.26 112.91 115.91 2pn8 h THR 238 Ca 0.05 -1.26 0.07 0.00 -0.55 0.00 0.00 66.41 64.72 2pn8 h THR 238 Cb 0.14 1.21 -0.06 0.00 -1.73 0.00 0.00 68.15 67.71 2pn8 h THR 238 CO -0.01 0.42 0.33 0.44 -0.25 0.00 0.00 175.52 176.45 2pn8 h ASP 239 N 0.60 0.45 0.48 5.36 3.32 -1.02 -1.19 116.42 124.42 2pn8 h ASP 239 Ca 0.09 0.04 -0.28 0.00 0.02 0.00 0.00 57.03 56.91 2pn8 h ASP 239 Cb 0.67 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.19 2pn8 h ASP 239 CO 0.05 0.28 -1.24 0.50 -1.72 0.00 0.00 179.24 177.12 2pn8 h LYS 240 N 0.60 0.37 0.00 3.56 3.64 -0.73 -3.40 116.57 120.61 2pn8 h LYS 240 Ca 0.30 -0.58 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 2pn8 h LYS 240 Cb 0.26 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2pn8 h LYS 240 CO -0.22 1.26 -1.48 0.72 -2.27 0.00 0.00 179.45 177.45 2pn8 n HIS 241 N -3.62 0.00 -0.95 1.91 8.25 0.03 -4.99 115.22 115.84 2pn8 n HIS 241 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2pn8 n HIS 241 Cb 1.00 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.87 2pn8 n HIS 241 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pn8 n GLY 242 N 1.93 0.41 3.93 -1.41 0.00 -0.45 -5.00 105.19 104.60 2pn8 n GLY 242 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.61 3.48 0.18 1.61 2.02 -1.26 -4.57 118.70 119.55 2pn8 s GLU 243 Ca 0.00 -0.20 0.08 0.00 0.02 0.00 0.00 54.97 54.87 2pn8 s GLU 243 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.61 2pn8 s GLU 243 CO 0.00 0.03 -0.03 0.14 0.02 0.00 0.00 175.26 175.42 2pn8 s VAL 244 N -2.45 3.52 -0.32 2.63 -7.23 0.47 -4.44 120.40 112.58 2pn8 s VAL 244 Ca 0.42 -1.54 -0.10 0.00 -1.81 0.00 0.00 61.98 58.95 2pn8 s VAL 244 Cb -0.10 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 2pn8 s VAL 244 CO 0.39 -0.13 0.18 0.00 -0.31 0.00 0.00 175.10 175.22 2pn8 n PRO 246 N 5.01 -1.60 -1.59 0.00 -0.02 -1.26 -4.85 135.00 130.69 2pn8 n PRO 246 Ca -0.13 -0.43 -0.58 0.00 -2.02 0.00 0.00 63.50 60.34 2pn8 n PRO 246 Cb 0.49 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.72 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 -4.61 -2.10 -0.98 3.55 0.00 -1.26 -1.82 120.51 113.29 2pn8 n ALA 247 Ca 0.06 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2pn8 n ALA 247 Cb 0.54 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 2.49 0.49 3.58 0.00 0.00 -1.26 -4.96 105.19 105.51 2pn8 n GLY 248 Ca 0.22 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.62 1.19 -4.21 1.61 -0.00 -0.75 -5.02 117.44 107.64 2pn8 n TRP 249 Ca 0.00 0.71 -0.12 0.00 -0.00 0.00 0.00 57.50 58.09 2pn8 n TRP 249 Cb 0.08 -2.25 -0.10 0.00 -0.00 0.00 0.00 31.31 29.04 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 -1.10 0.99 0.10 5.87 1.02 -1.26 -4.96 119.74 120.40 2pn8 s LYS 250 Ca 0.64 -1.45 -0.36 0.00 0.02 0.00 0.00 55.97 54.82 2pn8 s LYS 250 Cb -0.76 -0.22 -0.17 0.00 -0.52 0.00 0.00 37.83 36.15 2pn8 s LYS 250 CO 0.57 -0.09 1.28 -2.30 -0.92 0.00 0.00 175.35 173.89 2pn8 n PRO 251 N -0.15 1.05 0.00 -1.68 -0.02 -1.26 -0.60 135.00 132.34 2pn8 n PRO 251 Ca -0.09 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2pn8 n PRO 251 Cb 0.62 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 2.34 2.46 3.83 -1.23 0.00 -1.26 -5.07 105.19 106.27 2pn8 n GLY 252 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.38 5.87 0.40 1.61 0.01 0.23 -5.02 113.70 115.42 2pn8 s SER 253 Ca 0.00 1.60 -0.26 0.00 1.31 0.00 0.00 55.95 58.60 2pn8 s SER 253 Cb 0.00 -2.50 -0.09 0.00 0.21 0.00 0.00 66.02 63.64 2pn8 s SER 253 CO 0.00 -1.11 1.29 -1.61 0.41 0.00 0.00 173.24 172.22 2pn8 s GLU 254 N -4.72 3.99 0.47 12.44 2.02 -1.26 -4.93 118.70 126.71 2pn8 s GLU 254 Ca 0.59 2.12 0.04 0.00 0.02 0.00 0.00 54.97 57.74 2pn8 s GLU 254 Cb -0.13 -2.76 -0.03 0.00 0.10 0.00 0.00 34.13 31.31 2pn8 s GLU 254 CO 0.47 -0.46 0.09 0.95 0.02 0.00 0.00 175.26 176.32 2pn8 s THR 255 N -1.27 1.63 -0.04 3.63 -4.23 -1.26 -4.46 115.64 109.64 2pn8 s THR 255 Ca 0.57 -1.88 0.06 0.00 -1.18 0.00 0.00 61.69 59.25 2pn8 s THR 255 Cb -0.37 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 70.95 2pn8 s THR 255 CO 0.48 0.00 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.71 2pn8 s ILE 256 N -2.78 1.77 -0.31 2.99 1.01 -0.51 -4.76 121.20 118.62 2pn8 s ILE 256 Ca 0.23 -0.93 -0.28 0.00 0.00 0.00 0.00 60.65 59.67 2pn8 s ILE 256 Cb 0.04 -1.49 0.01 0.00 0.01 0.00 0.00 42.46 41.03 2pn8 s ILE 256 CO 0.12 0.50 1.01 -0.63 0.00 0.00 0.00 174.94 175.94 2pn8 s ILE 257 N -0.27 4.59 -1.53 2.92 1.01 -1.26 -0.39 121.20 126.27 2pn8 s ILE 257 Ca 0.02 1.63 -0.12 0.00 0.00 0.00 0.00 60.65 62.17 2pn8 s ILE 257 Cb -0.11 -4.35 -0.01 0.00 0.01 0.00 0.00 42.46 38.00 2pn8 s ILE 257 CO 0.01 -0.40 2.54 -0.81 0.00 0.00 0.00 174.94 176.28 2pn8 n PRO 258 N 6.67 3.23 -3.90 2.79 -0.04 -1.26 -2.64 135.00 139.84 2pn8 n PRO 258 Ca 0.10 -2.44 -0.11 0.00 -0.04 0.00 0.00 63.50 61.01 2pn8 n PRO 258 Cb 0.47 -3.08 -0.12 0.00 -0.04 0.00 0.00 33.50 30.74 2pn8 n PRO 258 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2pn8 s ASP 259 N 2.74 0.07 0.53 3.54 2.15 -1.26 -5.01 116.67 119.43 2pn8 s ASP 259 Ca 0.57 -0.18 0.22 0.00 0.43 0.00 0.00 52.55 53.59 2pn8 s ASP 259 Cb 0.16 0.13 1.38 0.00 -0.30 0.00 0.00 42.92 44.28 2pn8 s ASP 259 CO -0.08 -0.20 2.07 -0.65 -0.17 0.00 0.00 175.17 176.14 2pn8 h PRO 260 N 5.15 0.00 0.00 4.34 0.11 -2.01 -0.31 132.00 139.28 2pn8 h PRO 260 Ca -0.29 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.69 2pn8 h PRO 260 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2pn8 h PRO 260 CO 0.43 0.00 -0.79 0.00 -0.21 0.00 0.00 178.00 177.43 2pn8 h ALA 261 N 1.85 0.15 0.00 -0.75 0.00 -1.97 -3.39 119.26 115.15 2pn8 h ALA 261 Ca 0.13 -0.88 -0.00 0.00 0.00 0.00 0.00 54.91 54.16 2pn8 h ALA 261 Cb 0.55 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2pn8 h ALA 261 CO -0.00 0.47 -0.01 0.78 0.00 0.00 0.00 179.25 180.49 2pn8 h GLY 262 N -1.00 0.00 1.99 0.00 0.00 -1.79 -2.43 103.07 99.84 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 0.00 0.07 0.00 0.00 0.00 176.54 176.49 2pn8 h LYS 263 N 0.00 0.00 0.00 4.80 2.10 -0.81 -2.75 116.57 119.91 2pn8 h LYS 263 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2pn8 h LYS 263 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 2pn8 h LYS 263 CO 0.00 0.00 0.00 -0.07 -2.00 0.00 0.00 179.45 177.38 2pn8 h LEU 264 N 0.00 0.00 -0.92 7.07 3.38 -1.67 -2.23 115.31 120.94 2pn8 h LEU 264 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2pn8 h LEU 264 Cb 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2pn8 h LEU 264 CO -0.00 0.00 0.59 0.11 0.09 0.00 0.00 178.44 179.23 2pn8 h LYS 265 N 0.00 1.12 0.19 1.13 6.56 -1.69 0.70 116.57 124.57 2pn8 h LYS 265 Ca 0.00 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.51 2pn8 h LYS 265 Cb 0.56 -0.25 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 2pn8 h LYS 265 CO 0.00 0.74 -0.09 -0.92 -2.06 0.00 0.00 179.45 177.12 2pn8 h TYR 266 N 1.15 -0.23 -0.34 -1.35 3.20 -1.62 -3.39 116.97 114.39 2pn8 h TYR 266 Ca 0.37 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 62.07 2pn8 h TYR 266 Cb 0.01 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2pn8 h TYR 266 CO -0.01 0.15 -0.41 0.74 -1.64 0.00 0.00 178.16 176.98 2pn8 h PHE 267 N -0.93 1.00 -1.49 -3.82 0.04 -1.36 -3.38 116.94 107.00 2pn8 h PHE 267 Ca -0.03 -0.30 -0.76 0.00 2.80 0.00 0.00 57.97 59.68 2pn8 h PHE 267 Cb 0.49 -0.21 -0.16 0.00 2.20 0.00 0.00 35.95 38.27 2pn8 h PHE 267 CO 0.07 1.10 2.02 -3.47 -0.60 0.00 0.00 178.31 177.42 2pn8 n ASP 268 N -4.04 7.16 0.00 2.17 2.03 0.23 -5.07 116.55 119.03 2pn8 n ASP 268 Ca -0.02 -3.23 0.00 0.00 0.52 0.00 0.00 54.79 52.05 2pn8 n ASP 268 Cb 0.55 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 2pn8 n ASP 268 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57