#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pn8 s PHE 80 N 0.00 1.05 0.26 -0.72 0.40 -1.26 -5.16 117.98 112.55 2pn8 s PHE 80 Ca 0.00 -1.02 -0.10 0.00 -0.60 0.00 0.00 56.93 55.21 2pn8 s PHE 80 Cb 0.00 -0.60 -0.07 0.00 0.51 0.00 0.00 43.02 42.86 2pn8 s PHE 80 CO 0.00 -0.24 0.59 1.14 0.70 0.00 0.00 175.22 177.41 2pn8 s GLN 81 N -3.91 3.81 -1.00 0.44 -2.07 -1.26 -4.31 119.66 111.37 2pn8 s GLN 81 Ca 0.20 0.32 -0.01 0.00 -1.82 0.00 0.00 55.36 54.05 2pn8 s GLN 81 Cb 0.06 -2.60 0.00 0.00 -1.09 0.00 0.00 33.01 29.38 2pn8 s GLN 81 CO 0.01 0.26 0.84 0.43 -1.32 0.00 0.00 175.29 175.51 2pn8 n SER 82 N -0.31 -2.65 -4.83 12.60 7.64 -1.26 -5.02 113.62 119.79 2pn8 n SER 82 Ca 0.01 -0.49 -0.37 0.00 1.01 0.00 0.00 58.87 59.03 2pn8 n SER 82 Cb 0.53 -4.25 -0.06 0.00 -1.01 0.00 0.00 64.21 59.42 2pn8 n SER 82 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pn8 s MET 83 N -5.27 4.03 0.41 1.43 0.23 -1.26 -4.93 119.30 113.93 2pn8 s MET 83 Ca 0.08 0.55 -0.27 0.00 -1.03 0.00 0.00 55.69 55.02 2pn8 s MET 83 Cb -0.04 -3.09 -0.09 0.00 -1.53 0.00 0.00 34.83 30.08 2pn8 s MET 83 CO 0.59 0.57 1.41 -2.14 -2.03 0.00 0.00 175.02 173.42 2pn8 s PRO 84 N -1.53 3.94 0.27 3.16 0.02 -1.26 -1.46 135.00 138.15 2pn8 s PRO 84 Ca 0.32 2.39 -0.31 0.00 0.02 0.00 0.00 61.00 63.43 2pn8 s PRO 84 Cb -0.17 -2.82 -0.12 0.00 0.02 0.00 0.00 34.50 31.42 2pn8 s PRO 84 CO 0.18 -0.60 1.60 0.00 -0.33 0.00 0.00 177.00 177.85 2pn8 n ALA 85 N 0.18 2.43 -1.70 -1.55 0.00 0.27 -4.68 120.51 115.46 2pn8 n ALA 85 Ca 0.03 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 2pn8 n ALA 85 Cb 0.41 -2.45 -0.00 0.00 0.00 0.00 0.00 19.45 17.41 2pn8 n ALA 85 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2pn8 n PRO 86 N 2.44 2.15 -1.84 0.00 -0.02 -1.26 -4.93 135.00 131.54 2pn8 n PRO 86 Ca 0.10 0.75 -0.40 0.00 -2.02 0.00 0.00 63.50 61.93 2pn8 n PRO 86 Cb 0.36 -2.36 0.01 0.00 -0.02 0.00 0.00 33.50 31.48 2pn8 n PRO 86 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2pn8 s TYR 87 N -1.11 2.56 0.03 6.00 5.04 -1.26 -5.01 117.35 123.60 2pn8 s TYR 87 Ca 0.56 1.26 -0.02 0.00 -2.44 0.00 0.00 57.07 56.43 2pn8 s TYR 87 Cb -0.55 -3.91 -0.02 0.00 0.35 0.00 0.00 41.96 37.83 2pn8 s TYR 87 CO 0.62 -2.81 0.00 1.67 -1.34 0.00 0.00 175.55 173.69 2pn8 s TRP 88 N -1.19 0.31 -0.01 4.97 1.48 -1.26 -5.01 118.94 118.23 2pn8 s TRP 88 Ca 0.58 -0.65 -0.15 0.00 -1.06 0.00 0.00 56.10 54.82 2pn8 s TRP 88 Cb -0.44 -0.23 0.02 0.00 -1.16 0.00 0.00 33.47 31.67 2pn8 s TRP 88 CO 0.57 -0.28 0.31 -1.83 -4.06 0.00 0.00 176.95 171.66 2pn8 s GLU 89 N -2.35 0.68 0.00 3.25 -1.05 -1.26 -1.28 118.70 116.69 2pn8 s GLU 89 Ca -0.08 -0.22 0.00 0.00 -0.15 0.00 0.00 54.97 54.53 2pn8 s GLU 89 Cb -0.03 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 2pn8 s GLU 89 CO -0.04 -0.19 0.00 0.41 0.95 0.00 0.00 175.26 176.39 2pn8 n GLY 90 N 1.23 -1.31 3.68 -3.83 0.00 -0.28 -4.99 105.19 99.68 2pn8 n GLY 90 Ca -0.21 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 2pn8 n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pn8 s THR 91 N -2.43 5.04 0.17 2.61 2.01 -1.26 -0.64 115.64 121.13 2pn8 s THR 91 Ca 0.00 1.24 0.10 0.00 0.31 0.00 0.00 61.69 63.34 2pn8 s THR 91 Cb 0.00 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 2pn8 s THR 91 CO 0.00 0.16 -0.17 0.00 -0.69 0.00 0.00 174.62 173.92 2pn8 s ALA 92 N 1.55 2.73 -0.25 7.40 0.00 0.12 -0.67 121.76 132.64 2pn8 s ALA 92 Ca 0.31 -1.52 -0.15 0.00 0.00 0.00 0.00 51.96 50.59 2pn8 s ALA 92 Cb -0.16 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 2pn8 s ALA 92 CO 0.12 0.47 0.40 0.08 0.00 0.00 0.00 175.76 176.83 2pn8 s VAL 93 N -1.59 5.17 -0.07 0.00 1.01 -0.04 -0.75 120.40 124.13 2pn8 s VAL 93 Ca 0.22 0.65 -0.01 0.00 0.00 0.00 0.00 61.98 62.83 2pn8 s VAL 93 Cb -0.09 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.60 2pn8 s VAL 93 CO 0.12 0.18 -0.00 -0.63 0.00 0.00 0.00 175.10 174.76 2pn8 s ILE 94 N 1.87 0.40 -1.54 2.22 1.01 0.22 -2.02 121.20 123.37 2pn8 s ILE 94 Ca 0.17 0.10 -0.07 0.00 0.00 0.00 0.00 60.65 60.84 2pn8 s ILE 94 Cb -0.15 -0.55 0.06 0.00 0.01 0.00 0.00 42.46 41.83 2pn8 s ILE 94 CO 0.09 0.26 0.53 -0.67 0.00 0.00 0.00 174.94 175.15 2pn8 n ASP 95 N 5.07 -1.41 0.00 3.58 2.03 -1.26 -1.31 116.55 123.25 2pn8 n ASP 95 Ca -0.08 -1.03 0.00 0.00 0.52 0.00 0.00 54.79 54.20 2pn8 n ASP 95 Cb 0.50 -2.83 0.00 0.00 -0.72 0.00 0.00 41.12 38.07 2pn8 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pn8 n GLY 96 N -1.81 0.35 3.37 0.27 0.00 -1.26 -5.01 105.19 101.11 2pn8 n GLY 96 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.66 1.38 -0.13 1.61 2.02 -0.43 -5.10 118.70 117.40 2pn8 s GLU 97 Ca 0.00 -1.50 -0.22 0.00 0.02 0.00 0.00 54.97 53.27 2pn8 s GLU 97 Cb 0.00 -1.46 -0.03 0.00 0.10 0.00 0.00 34.13 32.74 2pn8 s GLU 97 CO 0.00 0.29 0.66 -0.06 0.02 0.00 0.00 175.26 176.17 2pn8 s PHE 98 N -2.16 3.48 0.01 1.61 0.08 -1.26 -0.61 117.98 119.13 2pn8 s PHE 98 Ca 0.19 1.09 0.00 0.00 0.12 0.00 0.00 56.93 58.34 2pn8 s PHE 98 Cb -0.05 -2.79 -0.01 0.00 -0.57 0.00 0.00 43.02 39.59 2pn8 s PHE 98 CO 0.08 -0.03 -0.03 0.15 -0.10 0.00 0.00 175.22 175.29 2pn8 s LYS 99 N 1.33 0.23 0.21 0.44 -0.14 0.08 -4.97 119.74 116.91 2pn8 s LYS 99 Ca 0.33 -0.36 -0.30 0.00 -1.36 0.00 0.00 55.97 54.28 2pn8 s LYS 99 Cb -0.17 -0.02 -0.08 0.00 -1.68 0.00 0.00 37.83 35.88 2pn8 s LYS 99 CO 0.14 -0.01 1.05 -1.21 -0.76 0.00 0.00 175.35 174.56 2pn8 s GLU 100 N -0.81 4.68 0.02 1.68 0.41 -1.26 -0.71 118.70 122.71 2pn8 s GLU 100 Ca -0.08 1.65 0.03 0.00 -0.41 0.00 0.00 54.97 56.17 2pn8 s GLU 100 Cb -0.06 -3.27 -0.01 0.00 -1.78 0.00 0.00 34.13 29.01 2pn8 s GLU 100 CO -0.00 0.22 -0.10 -1.17 -0.49 0.00 0.00 175.26 173.72 2pn8 s LEU 101 N -0.76 2.12 0.05 1.80 2.96 0.18 -4.90 118.68 120.12 2pn8 s LEU 101 Ca 0.46 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 2pn8 s LEU 101 Cb -0.28 -0.41 -0.02 0.00 0.50 0.00 0.00 46.19 45.98 2pn8 s LEU 101 CO 0.35 0.01 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.76 2pn8 s LYS 102 N -0.80 0.60 0.28 1.98 1.02 -1.26 -1.13 119.74 120.43 2pn8 s LYS 102 Ca -0.00 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 55.20 2pn8 s LYS 102 Cb -0.06 -0.43 0.43 0.00 -0.52 0.00 0.00 37.83 37.24 2pn8 s LYS 102 CO 0.00 0.09 1.91 1.25 -0.92 0.00 0.00 175.35 177.68 2pn8 h LEU 103 N 4.55 1.01 -1.59 3.17 5.85 -1.58 -1.67 115.31 125.04 2pn8 h LEU 103 Ca -0.37 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2pn8 h LEU 103 Cb 1.20 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2pn8 h LEU 103 CO 0.41 0.67 0.00 0.71 -0.34 0.00 0.00 178.44 179.89 2pn8 h THR 104 N 1.16 0.00 0.00 1.05 1.35 -1.96 -1.16 112.91 113.34 2pn8 h THR 104 Ca 0.40 -0.20 -0.00 0.00 -0.55 0.00 0.00 66.41 66.06 2pn8 h THR 104 Cb 0.10 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.52 2pn8 h THR 104 CO -0.14 0.00 -0.00 0.44 -0.25 0.00 0.00 175.52 175.57 2pn8 h ASP 105 N 0.00 0.00 -0.30 5.36 3.32 -1.70 -2.88 116.42 120.22 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 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 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 -3.11 0.38 -1.73 4.55 4.01 -0.44 -4.97 117.16 115.86 2pn8 n TYR 106 Ca -0.02 -0.19 -0.42 0.00 -0.16 0.00 0.00 57.90 57.10 2pn8 n TYR 106 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.15 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 1.47 2.44 0.00 -0.72 5.12 -1.09 -1.72 116.66 122.16 2pn8 n ARG 107 Ca 0.18 0.86 0.00 0.00 -1.93 0.00 0.00 57.85 56.96 2pn8 n ARG 107 Cb 0.61 -2.57 0.00 0.00 -1.16 0.00 0.00 32.46 29.34 2pn8 n ARG 107 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pn8 n GLY 108 N 1.57 0.65 3.13 -0.13 0.00 0.01 -5.05 105.19 105.37 2pn8 n GLY 108 Ca 0.07 0.00 -0.16 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 -0.91 0.71 0.51 1.61 1.02 -0.70 -4.86 119.74 117.12 2pn8 s LYS 109 Ca 0.00 -0.90 -0.22 0.00 0.02 0.00 0.00 55.97 54.87 2pn8 s LYS 109 Cb 0.00 -0.57 -0.06 0.00 -0.52 0.00 0.00 37.83 36.68 2pn8 s LYS 109 CO 0.00 0.12 1.26 0.71 -0.92 0.00 0.00 175.35 176.52 2pn8 s TYR 110 N -1.47 2.57 -0.09 3.18 1.51 -0.79 -3.34 117.35 118.92 2pn8 s TYR 110 Ca -0.04 1.46 0.00 0.00 -1.01 0.00 0.00 57.07 57.48 2pn8 s TYR 110 Cb -0.09 -3.59 0.02 0.00 -0.11 0.00 0.00 41.96 38.19 2pn8 s TYR 110 CO 0.01 -2.21 -0.08 -1.17 -1.11 0.00 0.00 175.55 171.00 2pn8 s LEU 111 N -3.30 1.28 -0.42 -1.29 2.96 0.05 -1.17 118.68 116.79 2pn8 s LEU 111 Ca 0.68 -0.26 -0.21 0.00 -0.22 0.00 0.00 54.13 54.12 2pn8 s LEU 111 Cb -0.34 -0.74 0.02 0.00 0.50 0.00 0.00 46.19 45.62 2pn8 s LEU 111 CO 0.41 -0.07 0.66 -0.69 -1.32 0.00 0.00 176.35 175.33 2pn8 s VAL 112 N 1.32 4.82 -0.27 1.68 1.01 0.17 -1.02 120.40 128.12 2pn8 s VAL 112 Ca -0.03 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 2pn8 s VAL 112 Cb -0.14 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.10 2pn8 s VAL 112 CO -0.03 -0.53 -0.05 0.12 0.00 0.00 0.00 175.10 174.61 2pn8 s PHE 113 N 2.84 3.18 0.01 5.22 5.36 0.10 -1.18 117.98 133.52 2pn8 s PHE 113 Ca 0.24 -1.85 0.05 0.00 -0.96 0.00 0.00 56.93 54.41 2pn8 s PHE 113 Cb -0.14 -2.05 -0.02 0.00 -0.34 0.00 0.00 43.02 40.47 2pn8 s PHE 113 CO 0.18 -0.80 -0.16 -0.59 -1.46 0.00 0.00 175.22 172.39 2pn8 s PHE 114 N 1.25 1.44 0.06 10.12 -0.71 -0.49 -0.33 117.98 129.31 2pn8 s PHE 114 Ca -0.04 -0.31 -0.06 0.00 -1.04 0.00 0.00 56.93 55.48 2pn8 s PHE 114 Cb -0.19 -0.89 -0.05 0.00 -1.21 0.00 0.00 43.02 40.68 2pn8 s PHE 114 CO -0.03 0.01 0.32 -0.06 -1.34 0.00 0.00 175.22 174.12 2pn8 s PHE 115 N -0.58 3.55 0.02 3.49 0.08 0.99 -0.76 117.98 124.78 2pn8 s PHE 115 Ca 0.05 0.59 0.03 0.00 0.12 0.00 0.00 56.93 57.73 2pn8 s PHE 115 Cb -0.07 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.35 2pn8 s PHE 115 CO 0.00 0.55 -0.10 1.52 -0.10 0.00 0.00 175.22 177.09 2pn8 s TYR 116 N -1.42 0.86 0.08 0.36 1.13 -0.32 -3.25 117.35 114.78 2pn8 s TYR 116 Ca 0.32 -0.31 -0.22 0.00 -1.41 0.00 0.00 57.07 55.46 2pn8 s TYR 116 Cb -0.13 -0.52 -0.08 0.00 -1.10 0.00 0.00 41.96 40.12 2pn8 s TYR 116 CO 0.19 -0.01 1.36 -1.35 -2.51 0.00 0.00 175.55 173.23 2pn8 h PRO 117 N 5.19 -0.33 -2.31 -3.49 0.11 -1.74 -3.39 132.00 126.04 2pn8 h PRO 117 Ca -0.34 0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 2pn8 h PRO 117 Cb 1.19 0.08 -0.23 0.00 0.11 0.00 0.00 31.00 32.15 2pn8 h PRO 117 CO 0.45 -0.22 -0.05 -0.51 -0.21 0.00 0.00 178.00 177.46 2pn8 s LEU 118 N -8.53 -0.33 0.68 2.35 1.43 -1.26 -4.35 118.68 108.66 2pn8 s LEU 118 Ca -0.10 1.20 -0.17 0.00 -1.03 0.00 0.00 54.13 54.03 2pn8 s LEU 118 Cb 0.05 1.99 0.01 0.00 0.03 0.00 0.00 46.19 48.27 2pn8 s LEU 118 CO 0.40 -0.21 1.26 0.47 0.23 0.00 0.00 176.35 178.50 2pn8 n ASP 119 N 3.17 1.82 -1.45 2.29 9.92 -1.26 -3.22 116.55 127.82 2pn8 n ASP 119 Ca -0.16 0.78 -0.15 0.00 -0.53 0.00 0.00 54.79 54.74 2pn8 n ASP 119 Cb 0.56 -1.54 -0.03 0.00 -0.64 0.00 0.00 41.12 39.47 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 -2.18 -0.41 -0.76 1.24 3.72 -1.26 -5.00 117.46 112.82 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 -2.90 0.00 0.00 -0.94 0.00 0.00 39.48 36.13 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 -3.41 0.00 0.00 4.37 -2.24 -1.20 -5.12 114.28 106.68 2pn8 n THR 121 Ca -0.16 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2pn8 n THR 121 Cb 0.57 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 -4.61 117.46 119.99 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 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.43 -4.37 2.07 -1.96 -3.35 116.25 109.48 2pn8 h VAL 123 Ca 0.00 -1.45 0.08 0.00 0.82 0.00 0.00 66.70 66.15 2pn8 h VAL 123 Cb 0.01 1.28 -0.09 0.00 -1.52 0.00 0.00 31.29 30.97 2pn8 h VAL 123 CO 0.00 0.49 -0.40 0.00 0.02 0.00 0.00 177.57 177.68 2pn8 h PRO 125 N -0.29 0.36 -0.42 0.00 0.13 -1.82 -2.03 132.00 127.93 2pn8 h PRO 125 Ca 0.16 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.20 2pn8 h PRO 125 Cb 0.57 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 2pn8 h PRO 125 CO -0.58 0.28 0.05 1.79 -0.23 0.00 0.00 178.00 179.31 2pn8 h THR 126 N 0.36 1.21 -0.10 1.56 1.35 -1.34 -0.16 112.91 115.79 2pn8 h THR 126 Ca 0.09 -0.79 -0.09 0.00 -0.55 0.00 0.00 66.41 65.07 2pn8 h THR 126 Cb 0.03 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.29 2pn8 h THR 126 CO -0.01 0.28 -0.28 -0.33 -0.25 0.00 0.00 175.52 174.93 2pn8 h GLU 127 N 0.63 0.37 -0.26 4.72 5.08 -0.85 -1.10 114.58 123.17 2pn8 h GLU 127 Ca 0.14 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2pn8 h GLU 127 Cb 0.31 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2pn8 h GLU 127 CO 0.01 0.88 0.09 0.82 -1.00 0.00 0.00 179.01 179.80 2pn8 h ILE 128 N -0.08 1.19 -0.84 3.13 2.04 -1.20 -2.03 117.51 119.72 2pn8 h ILE 128 Ca -0.01 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 2pn8 h ILE 128 Cb 0.90 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 2pn8 h ILE 128 CO 0.06 0.20 0.39 0.40 0.00 0.00 0.00 178.15 179.20 2pn8 h ILE 129 N 0.25 1.26 -0.42 -0.67 2.04 -1.10 0.50 117.51 119.38 2pn8 h ILE 129 Ca 0.08 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 2pn8 h ILE 129 Cb 0.22 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2pn8 h ILE 129 CO -0.00 0.32 0.13 0.00 0.00 0.00 0.00 178.15 178.59 2pn8 h ALA 130 N 1.23 0.55 -0.23 1.87 0.00 -0.80 0.84 119.26 122.72 2pn8 h ALA 130 Ca 0.29 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2pn8 h ALA 130 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2pn8 h ALA 130 CO -0.03 0.20 -0.05 0.74 0.00 0.00 0.00 179.25 180.11 2pn8 h PHE 131 N 0.53 0.48 -0.52 0.00 0.04 -1.31 -2.98 116.94 113.20 2pn8 h PHE 131 Ca 0.13 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2pn8 h PHE 131 Cb 0.27 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 2pn8 h PHE 131 CO 0.01 0.66 0.33 0.78 -0.60 0.00 0.00 178.31 179.49 2pn8 h GLY 132 N 0.17 0.74 2.00 -1.45 0.00 -0.69 -0.90 103.07 102.94 2pn8 h GLY 132 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2pn8 h GLY 132 CO 0.02 0.29 0.00 -0.55 0.00 0.00 0.00 176.54 176.30 2pn8 h ASP 133 N 0.70 0.00 -0.23 0.19 3.32 -0.91 -2.74 116.42 116.75 2pn8 h ASP 133 Ca 0.19 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2pn8 h ASP 133 Cb -0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 2pn8 h ASP 133 CO -0.04 0.00 -0.00 0.54 -1.72 0.00 0.00 179.24 178.02 2pn8 n ARG 134 N -2.56 2.69 0.09 3.56 1.74 -0.83 -4.80 116.66 116.55 2pn8 n ARG 134 Ca 0.03 -2.83 0.11 0.00 -0.77 0.00 0.00 57.85 54.39 2pn8 n ARG 134 Cb 0.32 -1.81 0.60 0.00 -1.02 0.00 0.00 32.46 30.55 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 1.56 0.14 -1.46 0.55 5.85 -0.87 -1.36 115.31 119.72 2pn8 h LEU 135 Ca 0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 2pn8 h LEU 135 Cb 1.41 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2pn8 h LEU 135 CO 0.21 0.09 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.89 2pn8 h GLU 136 N 0.16 0.00 0.00 1.25 4.39 -1.87 0.57 114.58 119.08 2pn8 h GLU 136 Ca 0.14 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 2pn8 h GLU 136 Cb 0.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2pn8 h GLU 136 CO -0.02 0.18 -0.11 0.93 -1.16 0.00 0.00 179.01 178.82 2pn8 h GLU 137 N 0.00 0.00 0.01 2.33 5.08 -1.64 0.17 114.58 120.53 2pn8 h GLU 137 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 2pn8 h GLU 137 Cb 0.57 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 2pn8 h GLU 137 CO 0.02 0.11 -1.46 1.19 -1.00 0.00 0.00 179.01 177.87 2pn8 n PHE 138 N -3.36 0.90 0.13 4.33 3.01 -0.79 -4.37 117.46 117.32 2pn8 n PHE 138 Ca -0.01 0.38 0.04 0.00 1.01 0.00 0.00 57.45 58.87 2pn8 n PHE 138 Cb 0.31 -1.09 0.47 0.00 -0.01 0.00 0.00 39.48 39.15 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 -0.94 0.23 0.00 -1.08 3.08 -0.55 -0.13 114.38 114.99 2pn8 h ARG 139 Ca -0.40 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2pn8 h ARG 139 Cb 1.38 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2pn8 h ARG 139 CO -0.22 0.27 0.00 -1.13 -1.07 0.00 0.00 179.97 177.81 2pn8 n SER 140 N -4.39 0.62 -1.75 7.04 3.41 0.04 -2.22 113.62 116.37 2pn8 n SER 140 Ca -0.01 0.67 -0.18 0.00 -0.26 0.00 0.00 58.87 59.09 2pn8 n SER 140 Cb 0.18 -0.79 0.06 0.00 -0.26 0.00 0.00 64.21 63.39 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 -2.20 2.50 -3.51 -1.33 -5.35 -0.16 -4.97 119.36 104.33 2pn8 n ILE 141 Ca 0.02 -3.98 -0.26 0.00 -0.27 0.00 0.00 62.75 58.26 2pn8 n ILE 141 Cb 0.20 -0.96 0.04 0.00 -1.74 0.00 0.00 39.64 37.18 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 -0.80 -5.39 -4.14 7.28 5.15 -0.94 -4.86 115.26 111.56 2pn8 n ASN 142 Ca 0.40 -0.53 -0.25 0.00 -0.60 0.00 0.00 54.58 53.60 2pn8 n ASN 142 Cb 0.91 -4.32 -0.16 0.00 -0.53 0.00 0.00 39.78 35.69 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 -3.21 1.32 0.37 -0.44 2.01 -0.60 -1.89 115.64 113.20 2pn8 s THR 143 Ca 0.51 -0.69 0.08 0.00 0.31 0.00 0.00 61.69 61.90 2pn8 s THR 143 Cb -0.24 -1.11 -0.05 0.00 0.01 0.00 0.00 72.50 71.10 2pn8 s THR 143 CO 0.63 0.38 0.13 -1.61 -0.69 0.00 0.00 174.62 173.46 2pn8 s GLU 144 N -0.21 2.27 -0.05 4.92 0.41 -0.31 -2.40 118.70 123.32 2pn8 s GLU 144 Ca 0.02 -1.68 0.02 0.00 -0.41 0.00 0.00 54.97 52.92 2pn8 s GLU 144 Cb -0.08 -2.07 0.02 0.00 -1.78 0.00 0.00 34.13 30.22 2pn8 s GLU 144 CO 0.00 0.03 -0.07 0.08 -0.49 0.00 0.00 175.26 174.82 2pn8 s VAL 145 N -2.50 0.72 -0.03 2.63 1.01 -1.26 -0.66 120.40 120.31 2pn8 s VAL 145 Ca 0.38 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.14 2pn8 s VAL 145 Cb 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.69 2pn8 s VAL 145 CO 0.22 0.26 -0.10 -0.69 0.00 0.00 0.00 175.10 174.79 2pn8 s VAL 146 N 0.72 0.89 0.09 2.92 1.01 -0.33 -4.20 120.40 121.51 2pn8 s VAL 146 Ca -0.11 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.53 2pn8 s VAL 146 Cb -0.14 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 2pn8 s VAL 146 CO 0.01 0.28 -0.06 0.00 0.00 0.00 0.00 175.10 175.33 2pn8 s ALA 147 N 0.29 3.08 -0.06 5.51 0.00 -0.78 -1.40 121.76 128.41 2pn8 s ALA 147 Ca -0.05 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 2pn8 s ALA 147 Cb -0.10 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 22.03 2pn8 s ALA 147 CO 0.01 0.66 0.14 0.00 0.00 0.00 0.00 175.76 176.58 2pn8 s SER 149 N 0.55 0.49 0.00 0.00 1.04 -1.00 -1.18 113.70 113.60 2pn8 s SER 149 Ca -0.04 -1.46 0.18 0.00 0.48 0.00 0.00 55.95 55.11 2pn8 s SER 149 Cb -0.05 0.43 0.83 0.00 0.10 0.00 0.00 66.02 67.33 2pn8 s SER 149 CO -0.03 -0.91 1.56 1.33 0.98 0.00 0.00 173.24 176.18 2pn8 n VAL 150 N -0.36 0.64 -1.21 5.02 0.24 -1.26 -0.78 118.33 120.61 2pn8 n VAL 150 Ca 0.03 0.16 -0.32 0.00 -2.04 0.00 0.00 64.34 62.17 2pn8 n VAL 150 Cb 0.65 -0.85 0.10 0.00 -1.47 0.00 0.00 33.84 32.27 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 -2.82 4.16 0.77 -1.34 1.01 -1.26 -3.46 116.67 113.73 2pn8 s ASP 151 Ca 0.12 2.00 -0.11 0.00 0.71 0.00 0.00 52.55 55.28 2pn8 s ASP 151 Cb 0.12 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.56 2pn8 s ASP 151 CO 0.31 -2.27 1.08 -0.94 0.21 0.00 0.00 175.17 173.56 2pn8 s SER 152 N -2.94 4.67 0.49 0.27 1.04 -1.26 -3.85 113.70 112.13 2pn8 s SER 152 Ca 0.65 1.58 0.21 0.00 0.48 0.00 0.00 55.95 58.86 2pn8 s SER 152 Cb -0.20 -2.35 1.26 0.00 0.10 0.00 0.00 66.02 64.83 2pn8 s SER 152 CO 0.53 -1.89 2.05 0.06 0.98 0.00 0.00 173.24 174.97 2pn8 h GLN 153 N -1.03 0.00 -0.38 4.02 -0.00 -1.94 -1.45 115.11 114.34 2pn8 h GLN 153 Ca -0.45 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.04 2pn8 h GLN 153 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.71 2pn8 h GLN 153 CO 0.56 0.14 -0.37 0.74 -0.00 0.00 0.00 178.83 179.89 2pn8 h PHE 154 N 0.00 1.07 -0.26 0.06 0.04 -1.99 -1.80 116.94 114.06 2pn8 h PHE 154 Ca -0.00 -0.31 -0.08 0.00 2.80 0.00 0.00 57.97 60.37 2pn8 h PHE 154 Cb 0.28 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2pn8 h PHE 154 CO 0.00 1.13 -0.15 1.15 -0.60 0.00 0.00 178.31 179.84 2pn8 h THR 155 N 0.74 1.30 -0.55 -1.55 2.02 -1.87 -1.26 112.91 111.74 2pn8 h THR 155 Ca 0.06 -1.25 0.10 0.00 0.77 0.00 0.00 66.41 66.09 2pn8 h THR 155 Cb 0.96 1.57 -0.08 0.00 -1.74 0.00 0.00 68.15 68.85 2pn8 h THR 155 CO 0.09 0.39 0.10 0.45 0.37 0.00 0.00 175.52 176.93 2pn8 h HIS 156 N 0.28 0.16 -0.39 3.16 3.86 -1.20 0.23 115.15 121.25 2pn8 h HIS 156 Ca 0.05 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.19 2pn8 h HIS 156 Cb 0.67 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 2pn8 h HIS 156 CO 0.07 -0.03 -0.18 1.25 0.86 0.00 0.00 177.93 179.90 2pn8 h LEU 157 N 0.24 0.84 -1.07 2.43 5.85 -1.23 -1.07 115.31 121.29 2pn8 h LEU 157 Ca 0.28 -0.40 0.12 0.00 0.84 0.00 0.00 57.88 58.73 2pn8 h LEU 157 Cb 0.41 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.13 2pn8 h LEU 157 CO -0.38 1.05 0.62 0.00 -0.34 0.00 0.00 178.44 179.39 2pn8 h ALA 158 N 0.81 1.58 -0.18 1.25 0.00 -0.76 0.65 119.26 122.62 2pn8 h ALA 158 Ca 0.09 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 2pn8 h ALA 158 Cb 0.73 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2pn8 h ALA 158 CO 0.05 0.18 -0.70 2.35 0.00 0.00 0.00 179.25 181.13 2pn8 h TRP 159 N 0.94 1.00 -0.88 0.00 7.01 -0.58 -2.38 115.95 121.06 2pn8 h TRP 159 Ca 0.48 -0.41 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 2pn8 h TRP 159 Cb 0.51 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.37 2pn8 h TRP 159 CO -0.00 1.23 0.45 0.82 -2.79 0.00 0.00 178.44 178.15 2pn8 h ILE 160 N 0.54 1.26 0.00 2.65 2.04 -0.89 -1.72 117.51 121.39 2pn8 h ILE 160 Ca -0.03 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.13 2pn8 h ILE 160 Cb 1.32 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2pn8 h ILE 160 CO 0.14 0.31 0.00 0.59 0.00 0.00 0.00 178.15 179.19 2pn8 n ASN 161 N -4.31 0.00 -4.67 1.72 3.02 0.19 -2.52 115.26 108.69 2pn8 n ASN 161 Ca 0.09 -1.59 -0.35 0.00 -0.03 0.00 0.00 54.58 52.70 2pn8 n ASN 161 Cb 0.12 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.20 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 5.03 0.65 3.41 2.01 -0.83 -4.99 115.64 118.92 2pn8 s THR 162 Ca 0.12 0.05 -0.18 0.00 0.31 0.00 0.00 61.69 62.00 2pn8 s THR 162 Cb 0.06 -3.28 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 2pn8 s THR 162 CO 0.09 0.45 1.27 -2.84 -0.69 0.00 0.00 174.62 172.91 2pn8 s PRO 163 N 0.37 2.56 0.42 4.92 0.02 -1.26 -2.14 135.00 139.88 2pn8 s PRO 163 Ca 0.05 1.98 0.08 0.00 0.02 0.00 0.00 61.00 63.14 2pn8 s PRO 163 Cb -0.12 -1.86 0.88 0.00 0.02 0.00 0.00 34.50 33.43 2pn8 s PRO 163 CO -0.01 -1.57 2.04 0.00 -0.33 0.00 0.00 177.00 177.14 2pn8 h ARG 164 N 0.48 0.45 0.00 5.54 3.08 -1.85 -0.32 114.38 121.76 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 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2pn8 h ARG 164 CO 0.53 0.33 0.00 0.54 -1.07 0.00 0.00 179.97 180.30 2pn8 n ARG 165 N -4.45 0.08 -0.53 0.04 1.74 -1.26 -1.21 116.66 111.07 2pn8 n ARG 165 Ca 0.02 0.34 0.08 0.00 -0.77 0.00 0.00 57.85 57.53 2pn8 n ARG 165 Cb 0.10 -1.66 0.31 0.00 -1.02 0.00 0.00 32.46 30.18 2pn8 n ARG 165 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2pn8 n GLN 166 N -1.82 3.54 -1.06 5.56 6.02 -0.36 -4.93 117.38 124.34 2pn8 n GLN 166 Ca 0.03 -2.78 -0.02 0.00 -0.01 0.00 0.00 57.00 54.22 2pn8 n GLN 166 Cb 0.18 -1.83 -0.01 0.00 1.02 0.00 0.00 30.24 29.61 2pn8 n GLN 166 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pn8 n GLY 167 N 0.53 0.53 3.32 1.08 0.00 -0.35 -4.95 105.19 105.35 2pn8 n GLY 167 Ca 0.23 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.76 -0.25 0.09 -0.02 0.00 -0.28 -4.76 105.19 97.21 2pn8 n GLY 168 Ca -0.02 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 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 0.51 0.00 0.99 4.77 -0.71 -4.10 117.00 118.46 2pn8 n LEU 169 Ca 0.14 0.24 0.08 0.00 -0.03 0.00 0.00 56.01 56.44 2pn8 n LEU 169 Cb 0.50 0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.88 2pn8 n LEU 169 CO 0.35 0.43 -0.11 0.61 -1.33 0.00 0.00 177.39 177.35 2pn8 n GLY 170 N 1.63 -1.77 3.71 -0.72 0.00 -0.91 -4.72 105.19 102.41 2pn8 n GLY 170 Ca -0.23 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 2pn8 n GLY 170 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2pn8 n PRO 171 N -2.40 1.98 -3.83 1.61 -0.02 -1.25 -4.60 135.00 126.49 2pn8 n PRO 171 Ca 0.00 0.71 -0.12 0.00 -2.02 0.00 0.00 63.50 62.07 2pn8 n PRO 171 Cb 0.26 -2.41 -0.11 0.00 -0.02 0.00 0.00 33.50 31.23 2pn8 n PRO 171 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2pn8 s ILE 172 N -1.19 0.05 -1.93 4.25 2.07 -1.26 -5.06 121.20 118.13 2pn8 s ILE 172 Ca 0.60 -0.38 0.17 0.00 -1.41 0.00 0.00 60.65 59.63 2pn8 s ILE 172 Cb -0.50 -0.38 0.21 0.00 0.13 0.00 0.00 42.46 41.92 2pn8 s ILE 172 CO 0.58 -0.21 1.12 0.54 -1.91 0.00 0.00 174.94 175.06 2pn8 n ARG 173 N 2.09 1.68 -3.65 3.50 1.74 -1.26 -4.53 116.66 116.23 2pn8 n ARG 173 Ca -0.18 -1.70 -0.36 0.00 -0.77 0.00 0.00 57.85 54.83 2pn8 n ARG 173 Cb 0.57 -1.34 -0.07 0.00 -1.02 0.00 0.00 32.46 30.60 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 -1.30 5.34 0.44 0.55 1.01 -1.26 -4.98 121.20 121.00 2pn8 s ILE 174 Ca 0.23 0.43 -0.25 0.00 0.00 0.00 0.00 60.65 61.06 2pn8 s ILE 174 Cb 0.15 -3.55 -0.08 0.00 0.01 0.00 0.00 42.46 38.98 2pn8 s ILE 174 CO 0.22 0.48 1.39 -2.84 0.00 0.00 0.00 174.94 174.19 2pn8 s PRO 175 N -0.12 3.74 -0.37 2.79 0.02 -1.26 -4.89 135.00 134.91 2pn8 s PRO 175 Ca 0.15 2.35 -0.05 0.00 0.02 0.00 0.00 61.00 63.47 2pn8 s PRO 175 Cb -0.13 -2.67 0.07 0.00 0.02 0.00 0.00 34.50 31.79 2pn8 s PRO 175 CO 0.04 -0.74 0.15 -0.51 -0.33 0.00 0.00 177.00 175.60 2pn8 s LEU 176 N -2.67 4.68 0.11 -5.54 1.43 -0.86 -1.86 118.68 113.97 2pn8 s LEU 176 Ca 0.60 -1.48 -0.23 0.00 -1.03 0.00 0.00 54.13 51.99 2pn8 s LEU 176 Cb -0.42 -1.86 -0.07 0.00 0.03 0.00 0.00 46.19 43.87 2pn8 s LEU 176 CO 0.54 -0.42 0.69 -0.22 0.23 0.00 0.00 176.35 177.17 2pn8 s LEU 177 N 1.31 4.54 -0.17 1.79 2.96 0.80 -0.86 118.68 129.05 2pn8 s LEU 177 Ca 0.01 1.45 -0.09 0.00 -0.22 0.00 0.00 54.13 55.29 2pn8 s LEU 177 Cb -0.21 -3.12 -0.05 0.00 0.50 0.00 0.00 46.19 43.31 2pn8 s LEU 177 CO 0.00 0.20 0.13 -0.55 -1.32 0.00 0.00 176.35 174.81 2pn8 s SER 178 N -0.92 6.24 -0.46 3.68 0.15 0.15 -2.38 113.70 120.15 2pn8 s SER 178 Ca 0.33 0.31 0.08 0.00 0.70 0.00 0.00 55.95 57.37 2pn8 s SER 178 Cb -0.21 -2.07 0.39 0.00 -1.71 0.00 0.00 66.02 62.42 2pn8 s SER 178 CO 0.23 0.27 0.98 -0.67 1.20 0.00 0.00 173.24 175.24 2pn8 n ASP 179 N 2.94 3.58 -0.33 5.45 2.03 0.04 -4.39 116.55 125.87 2pn8 n ASP 179 Ca -0.18 -3.45 0.07 0.00 0.52 0.00 0.00 54.79 51.75 2pn8 n ASP 179 Cb 0.53 -0.53 0.23 0.00 -0.72 0.00 0.00 41.12 40.64 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 0.77 -0.40 -2.67 3.38 -1.77 -1.20 115.31 116.25 2pn8 h LEU 180 Ca 0.15 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2pn8 h LEU 180 Cb 0.83 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2pn8 h LEU 180 CO 0.74 0.38 0.00 0.35 0.09 0.00 0.00 178.44 179.99 2pn8 n THR 181 N -4.72 0.72 -0.90 0.22 -2.24 -1.26 -4.90 114.28 101.20 2pn8 n THR 181 Ca 0.18 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 2pn8 n THR 181 Cb 0.39 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 2pn8 n THR 181 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2pn8 n HIS 182 N -2.22 0.00 -0.23 4.78 8.25 -0.45 -4.91 115.22 120.44 2pn8 n HIS 182 Ca 0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.41 2pn8 n HIS 182 Cb 0.31 -0.36 0.03 0.00 1.12 0.00 0.00 29.99 31.09 2pn8 n HIS 182 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2pn8 h GLN 183 N 2.12 1.10 -0.17 -0.41 5.75 -1.91 -1.11 115.11 120.48 2pn8 h GLN 183 Ca 0.00 -0.32 -0.02 0.00 -0.15 0.00 0.00 58.65 58.16 2pn8 h GLN 183 Cb 0.03 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 2pn8 h GLN 183 CO 0.00 1.04 0.03 0.82 -2.65 0.00 0.00 178.83 178.07 2pn8 h ILE 184 N 1.01 1.22 -0.80 2.39 2.04 -1.90 -0.43 117.51 121.04 2pn8 h ILE 184 Ca 0.19 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 2pn8 h ILE 184 Cb 0.51 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 2pn8 h ILE 184 CO 0.02 0.21 0.47 0.28 0.00 0.00 0.00 178.15 179.14 2pn8 h SER 185 N 0.07 0.96 -0.25 1.72 0.02 -1.89 -1.42 113.55 112.77 2pn8 h SER 185 Ca 0.05 -0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 2pn8 h SER 185 Cb 0.30 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2pn8 h SER 185 CO 0.00 0.75 -0.48 0.11 -1.14 0.00 0.00 176.83 176.07 2pn8 h LYS 186 N 1.09 0.83 -0.04 3.45 1.57 -1.13 -1.03 116.57 121.30 2pn8 h LYS 186 Ca 0.28 -0.49 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2pn8 h LYS 186 Cb -0.03 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 2pn8 h LYS 186 CO -0.05 1.12 0.01 -0.44 -0.57 0.00 0.00 179.45 179.52 2pn8 h ASP 187 N 0.65 0.05 -0.02 0.86 3.32 -0.64 -1.78 116.42 118.86 2pn8 h ASP 187 Ca 0.03 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2pn8 h ASP 187 Cb 1.07 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2pn8 h ASP 187 CO 0.11 0.06 -0.01 -1.22 -1.72 0.00 0.00 179.24 176.45 2pn8 n TYR 188 N -4.51 0.00 -2.12 4.55 4.02 -0.57 -4.84 117.16 113.69 2pn8 n TYR 188 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.74 2pn8 n TYR 188 Cb 0.10 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.41 2pn8 n TYR 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pn8 n GLY 189 N 1.25 0.06 0.21 2.72 0.00 -0.50 -4.91 105.19 104.02 2pn8 n GLY 189 Ca 0.17 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.81 0.39 -2.66 1.61 0.24 -0.57 -5.01 118.33 108.52 2pn8 n VAL 190 Ca -0.15 -0.69 -0.42 0.00 -2.04 0.00 0.00 64.34 61.04 2pn8 n VAL 190 Cb 0.59 0.86 -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 -0.61 3.63 -0.43 6.34 5.04 -1.21 -1.46 117.35 128.64 2pn8 s TYR 191 Ca 0.07 1.64 -0.17 0.00 -2.44 0.00 0.00 57.07 56.17 2pn8 s TYR 191 Cb 0.04 -3.17 0.03 0.00 0.35 0.00 0.00 41.96 39.21 2pn8 s TYR 191 CO 0.06 -0.22 0.42 -0.51 -1.34 0.00 0.00 175.55 173.96 2pn8 s LEU 192 N 1.00 4.97 0.36 6.97 1.43 -0.09 -4.94 118.68 128.38 2pn8 s LEU 192 Ca 0.53 -0.78 0.05 0.00 -1.03 0.00 0.00 54.13 52.90 2pn8 s LEU 192 Cb -0.22 -2.33 0.72 0.00 0.03 0.00 0.00 46.19 44.38 2pn8 s LEU 192 CO 0.28 -0.58 1.99 -0.33 0.23 0.00 0.00 176.35 177.94 2pn8 h GLU 193 N 8.73 0.74 0.00 1.70 4.39 -1.95 -0.18 114.58 128.01 2pn8 h GLU 193 Ca -0.27 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.30 2pn8 h GLU 193 Cb 1.11 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 2pn8 h GLU 193 CO 0.80 0.49 -0.42 0.38 -1.16 0.00 0.00 179.01 179.10 2pn8 h ASP 194 N 0.77 0.00 0.00 1.42 2.03 -1.95 -3.36 116.42 115.33 2pn8 h ASP 194 Ca 0.27 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.29 2pn8 h ASP 194 Cb 0.10 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.55 2pn8 h ASP 194 CO -0.08 0.42 -2.11 -1.20 -1.03 0.00 0.00 179.24 175.25 2pn8 n SER 195 N -3.29 0.94 -0.17 4.15 7.64 -0.87 -5.01 113.62 117.00 2pn8 n SER 195 Ca 0.01 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.87 2pn8 n SER 195 Cb 0.65 0.97 -0.01 0.00 -1.01 0.00 0.00 64.21 64.81 2pn8 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pn8 n GLY 196 N 1.95 0.52 3.58 0.23 0.00 -0.13 -5.02 105.19 106.30 2pn8 n GLY 196 Ca -0.25 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.08 0.79 0.59 1.61 -3.43 -1.25 -4.95 115.29 106.57 2pn8 s HIS 197 Ca 0.00 -1.14 -0.04 0.00 -0.80 0.00 0.00 55.06 53.08 2pn8 s HIS 197 Cb 0.00 0.17 0.02 0.00 -1.43 0.00 0.00 32.58 31.34 2pn8 s HIS 197 CO 0.00 -1.24 0.88 0.95 -2.00 0.00 0.00 174.74 173.32 2pn8 s THR 198 N -2.90 3.27 0.13 -5.38 -4.23 -1.26 -0.92 115.64 104.34 2pn8 s THR 198 Ca 0.26 -0.22 -0.02 0.00 -1.18 0.00 0.00 61.69 60.53 2pn8 s THR 198 Cb -0.02 -3.30 0.03 0.00 1.34 0.00 0.00 72.50 70.56 2pn8 s THR 198 CO 0.18 -0.28 0.17 0.00 -0.54 0.00 0.00 174.62 174.15 2pn8 n LEU 199 N -2.55 0.00 -4.45 4.79 -0.00 -0.54 -3.99 117.00 110.26 2pn8 n LEU 199 Ca 0.05 -0.22 -0.44 0.00 -0.00 0.00 0.00 56.01 55.40 2pn8 n LEU 199 Cb 0.58 -0.13 -0.01 0.00 -0.00 0.00 0.00 43.42 43.87 2pn8 n LEU 199 CO 0.51 -0.62 1.26 -0.13 -0.00 0.00 0.00 177.39 178.41 2pn8 s ARG 200 N -3.24 4.00 -0.25 1.47 0.52 -0.83 -4.26 118.95 116.36 2pn8 s ARG 200 Ca 0.10 -2.48 -0.07 0.00 -0.52 0.00 0.00 55.73 52.76 2pn8 s ARG 200 Cb -0.00 -4.99 -0.03 0.00 0.52 0.00 0.00 34.95 30.45 2pn8 s ARG 200 CO 0.07 -1.72 0.07 0.20 0.02 0.00 0.00 175.30 173.94 2pn8 s GLY 201 N 2.85 1.76 -0.04 -3.53 0.00 -1.20 -0.87 107.32 106.29 2pn8 s GLY 201 Ca 0.39 -1.12 0.06 0.00 0.00 0.00 0.00 44.72 44.06 2pn8 s GLY 201 CO -0.02 0.51 -0.21 -2.27 0.00 0.00 0.00 173.10 171.11 2pn8 s LEU 202 N 1.56 2.35 -0.06 0.66 0.20 0.52 -0.01 118.68 123.90 2pn8 s LEU 202 Ca 0.06 -0.36 0.02 0.00 0.69 0.00 0.00 54.13 54.54 2pn8 s LEU 202 Cb -0.15 -1.44 0.01 0.00 -0.43 0.00 0.00 46.19 44.18 2pn8 s LEU 202 CO 0.03 0.31 -0.12 -0.36 -0.29 0.00 0.00 176.35 175.93 2pn8 s PHE 203 N -0.56 1.40 -0.28 5.38 0.08 0.55 -0.91 117.98 123.64 2pn8 s PHE 203 Ca 0.08 -0.51 -0.09 0.00 0.12 0.00 0.00 56.93 56.52 2pn8 s PHE 203 Cb -0.11 -1.04 -0.03 0.00 -0.57 0.00 0.00 43.02 41.27 2pn8 s PHE 203 CO 0.00 -0.27 0.14 0.42 -0.10 0.00 0.00 175.22 175.41 2pn8 s ILE 204 N 0.69 4.79 -0.12 0.64 1.01 -0.48 -0.72 121.20 127.01 2pn8 s ILE 204 Ca -0.14 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.45 2pn8 s ILE 204 Cb -0.16 -3.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 2pn8 s ILE 204 CO 0.03 0.24 -0.18 -0.63 0.00 0.00 0.00 174.94 174.41 2pn8 s ILE 205 N 1.68 2.54 1.00 2.92 1.01 -0.19 -0.31 121.20 129.85 2pn8 s ILE 205 Ca 0.06 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 59.71 2pn8 s ILE 205 Cb -0.16 -2.03 0.22 0.00 0.01 0.00 0.00 42.46 40.50 2pn8 s ILE 205 CO 0.07 0.54 1.31 1.51 0.00 0.00 0.00 174.94 178.37 2pn8 s ASP 206 N 0.45 2.79 0.38 3.58 1.47 -0.13 -0.77 116.67 124.45 2pn8 s ASP 206 Ca -0.13 0.26 0.27 0.00 1.18 0.00 0.00 52.55 54.14 2pn8 s ASP 206 Cb -0.17 -0.29 1.32 0.00 -0.34 0.00 0.00 42.92 43.44 2pn8 s ASP 206 CO 0.06 -2.94 1.83 -2.24 0.68 0.00 0.00 175.17 172.56 2pn8 h ASP 207 N -1.78 0.00 -0.31 2.11 2.03 -1.88 -1.38 116.42 115.20 2pn8 h ASP 207 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2pn8 h ASP 207 Cb 1.23 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 -2.49 2.26 -0.87 4.15 5.02 -1.26 -0.81 118.16 124.16 2pn8 n LYS 208 Ca -0.00 -1.90 0.00 0.00 -2.02 0.00 0.00 58.31 54.39 2pn8 n LYS 208 Cb 0.15 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 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 1.38 0.54 3.75 0.72 0.00 -0.52 -5.03 105.19 106.03 2pn8 n GLY 209 Ca 0.18 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 5.16 -0.07 -0.61 -1.09 -1.26 -0.57 121.20 120.76 2pn8 s ILE 210 Ca 0.00 0.87 -0.30 0.00 -2.23 0.00 0.00 60.65 59.00 2pn8 s ILE 210 Cb 0.00 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 2pn8 s ILE 210 CO 0.00 0.40 1.35 -0.22 -1.23 0.00 0.00 174.94 175.24 2pn8 s LEU 211 N 0.17 4.27 -0.08 2.97 2.96 -0.53 -0.95 118.68 127.47 2pn8 s LEU 211 Ca 0.24 1.93 0.12 0.00 -0.22 0.00 0.00 54.13 56.21 2pn8 s LEU 211 Cb -0.15 -3.55 -0.18 0.00 0.50 0.00 0.00 46.19 42.81 2pn8 s LEU 211 CO 0.10 -0.73 0.14 0.54 -1.32 0.00 0.00 176.35 175.08 2pn8 n ARG 212 N 5.98 1.36 -3.69 1.98 5.12 0.57 -4.61 116.66 123.38 2pn8 n ARG 212 Ca 0.13 -0.05 -0.14 0.00 -1.93 0.00 0.00 57.85 55.87 2pn8 n ARG 212 Cb 0.44 -1.32 -0.09 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 -2.55 0.63 -0.08 5.56 -0.44 -1.12 -4.98 119.66 116.68 2pn8 s GLN 213 Ca -0.06 0.72 0.01 0.00 -2.50 0.00 0.00 55.36 53.54 2pn8 s GLN 213 Cb 0.06 0.31 0.02 0.00 -1.64 0.00 0.00 33.01 31.75 2pn8 s GLN 213 CO 0.53 -0.08 -0.10 0.42 0.50 0.00 0.00 175.29 176.56 2pn8 s ILE 214 N 0.24 1.08 -0.18 -2.34 1.01 -1.26 -1.38 121.20 118.37 2pn8 s ILE 214 Ca -0.00 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.25 2pn8 s ILE 214 Cb -0.04 -1.02 0.04 0.00 0.01 0.00 0.00 42.46 41.45 2pn8 s ILE 214 CO 0.01 0.35 -0.11 -0.89 0.00 0.00 0.00 174.94 174.31 2pn8 s THR 215 N 1.00 1.55 -0.24 2.92 2.01 -0.09 -5.00 115.64 117.79 2pn8 s THR 215 Ca -0.08 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.07 2pn8 s THR 215 Cb -0.15 -1.59 0.04 0.00 0.01 0.00 0.00 72.50 70.81 2pn8 s THR 215 CO -0.00 0.24 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.30 2pn8 s LEU 216 N 1.45 3.12 -0.09 4.42 1.43 -1.26 -0.36 118.68 127.39 2pn8 s LEU 216 Ca 0.01 -1.07 -0.03 0.00 -1.03 0.00 0.00 54.13 52.01 2pn8 s LEU 216 Cb -0.15 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 2pn8 s LEU 216 CO -0.09 -0.14 0.02 0.20 0.23 0.00 0.00 176.35 176.57 2pn8 s ASN 217 N 1.22 5.34 0.90 2.29 -0.87 -0.05 -5.00 114.94 118.77 2pn8 s ASN 217 Ca -0.03 0.17 -0.10 0.00 -1.57 0.00 0.00 52.86 51.32 2pn8 s ASN 217 Cb -0.17 -1.55 0.14 0.00 -0.02 0.00 0.00 41.25 39.64 2pn8 s ASN 217 CO -0.06 0.37 1.16 -0.62 -2.57 0.00 0.00 177.10 175.37 2pn8 s ASP 218 N -0.82 2.96 0.38 -1.22 2.15 -1.26 -1.96 116.67 116.89 2pn8 s ASP 218 Ca 0.13 2.23 0.05 0.00 0.43 0.00 0.00 52.55 55.38 2pn8 s ASP 218 Cb -0.11 -2.57 0.74 0.00 -0.30 0.00 0.00 42.92 40.68 2pn8 s ASP 218 CO 0.02 -3.08 2.03 -0.07 -0.17 0.00 0.00 175.17 173.90 2pn8 h LEU 219 N -1.76 0.59 -0.25 -1.34 3.38 -1.97 -3.08 115.31 110.88 2pn8 h LEU 219 Ca -0.43 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2pn8 h LEU 219 Cb 1.27 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2pn8 h LEU 219 CO 0.42 0.44 -0.01 -0.81 0.09 0.00 0.00 178.44 178.57 2pn8 n PRO 220 N -4.45 1.12 -4.05 1.13 -0.04 -1.26 -4.75 135.00 122.70 2pn8 n PRO 220 Ca 0.04 -0.25 -0.30 0.00 -0.04 0.00 0.00 63.50 62.96 2pn8 n PRO 220 Cb 0.06 -1.49 -0.17 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.05 1.51 0.73 0.52 1.01 -1.16 -5.03 120.40 115.93 2pn8 s VAL 221 Ca 0.44 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 2pn8 s VAL 221 Cb 0.22 -1.42 0.03 0.00 0.00 0.00 0.00 36.38 35.21 2pn8 s VAL 221 CO 0.37 0.45 1.07 -0.83 0.00 0.00 0.00 175.10 176.16 2pn8 s GLY 222 N 1.46 1.66 0.85 4.51 0.00 -1.26 -4.75 107.32 109.79 2pn8 s GLY 222 Ca 0.04 0.08 -0.08 0.00 0.00 0.00 0.00 44.72 44.76 2pn8 s GLY 222 CO -0.10 0.42 1.16 0.50 0.00 0.00 0.00 173.10 175.09 2pn8 s ARG 223 N -5.02 1.09 -0.16 2.90 0.52 -1.26 -5.09 118.95 111.93 2pn8 s ARG 223 Ca 0.59 -0.85 0.01 0.00 -0.52 0.00 0.00 55.73 54.97 2pn8 s ARG 223 Cb -0.15 -2.10 0.01 0.00 0.52 0.00 0.00 34.95 33.24 2pn8 s ARG 223 CO 0.55 -1.97 -0.20 0.45 0.02 0.00 0.00 175.30 174.15 2pn8 s SER 224 N -4.84 3.18 0.19 0.23 0.15 -1.26 -5.00 113.70 106.35 2pn8 s SER 224 Ca 0.71 -0.61 -0.08 0.00 0.70 0.00 0.00 55.95 56.67 2pn8 s SER 224 Cb -0.04 -1.48 0.11 0.00 -1.71 0.00 0.00 66.02 62.90 2pn8 s SER 224 CO 0.49 0.04 1.65 0.58 1.20 0.00 0.00 173.24 177.19 2pn8 h VAL 225 N 5.87 1.26 -0.68 4.45 2.07 -1.97 -1.82 116.25 125.43 2pn8 h VAL 225 Ca -0.39 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 2pn8 h VAL 225 Cb 1.17 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 2pn8 h VAL 225 CO 0.60 0.42 0.42 0.44 0.02 0.00 0.00 177.57 179.47 2pn8 h ASP 226 N 0.91 0.81 -0.03 0.57 3.32 -1.99 0.29 116.42 120.29 2pn8 h ASP 226 Ca 0.15 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 2pn8 h ASP 226 Cb 0.59 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2pn8 h ASP 226 CO 0.04 0.63 -0.52 -0.08 -1.72 0.00 0.00 179.24 177.58 2pn8 h GLU 227 N 0.92 0.61 -0.36 3.56 4.57 -1.97 -1.88 114.58 120.03 2pn8 h GLU 227 Ca 0.24 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 2pn8 h GLU 227 Cb -0.04 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2pn8 h GLU 227 CO -0.05 0.98 0.19 1.15 -1.18 0.00 0.00 179.01 180.10 2pn8 h THR 228 N 0.47 1.15 -0.55 0.32 2.02 -0.92 -1.44 112.91 113.97 2pn8 h THR 228 Ca 0.02 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 66.79 2pn8 h THR 228 Cb 1.06 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 2pn8 h THR 228 CO 0.10 0.16 0.36 -0.07 0.37 0.00 0.00 175.52 176.44 2pn8 h LEU 229 N 0.46 0.61 -0.50 2.58 3.38 -0.83 -1.24 115.31 119.77 2pn8 h LEU 229 Ca 0.13 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.14 2pn8 h LEU 229 Cb 0.09 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2pn8 h LEU 229 CO -0.02 0.44 0.22 -0.09 0.09 0.00 0.00 178.44 179.08 2pn8 h ARG 230 N 0.72 0.42 -0.29 1.13 2.43 -1.00 0.56 114.38 118.36 2pn8 h ARG 230 Ca 0.21 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2pn8 h ARG 230 Cb -0.06 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2pn8 h ARG 230 CO -0.06 0.28 0.08 -0.07 -1.51 0.00 0.00 179.97 178.69 2pn8 h LEU 231 N 0.43 0.43 -0.43 3.80 3.38 -1.02 0.12 115.31 122.02 2pn8 h LEU 231 Ca 0.23 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2pn8 h LEU 231 Cb 0.19 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2pn8 h LEU 231 CO -0.20 0.54 0.20 0.58 0.09 0.00 0.00 178.44 179.65 2pn8 h VAL 232 N 0.30 0.95 -0.52 1.22 2.07 -0.88 -0.07 116.25 119.32 2pn8 h VAL 232 Ca 0.09 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2pn8 h VAL 232 Cb 0.27 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2pn8 h VAL 232 CO -0.00 0.07 0.33 1.56 0.02 0.00 0.00 177.57 179.56 2pn8 h GLN 233 N 0.41 0.69 -0.36 1.57 4.20 -0.69 -1.09 115.11 119.83 2pn8 h GLN 233 Ca 0.19 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 2pn8 h GLN 233 Cb 0.11 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2pn8 h GLN 233 CO -0.15 0.48 0.13 0.00 -0.67 0.00 0.00 178.83 178.62 2pn8 h ALA 234 N 1.18 0.47 -0.62 3.87 0.00 -0.34 -0.53 119.26 123.29 2pn8 h ALA 234 Ca 0.19 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2pn8 h ALA 234 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2pn8 h ALA 234 CO -0.04 0.10 0.08 0.74 0.00 0.00 0.00 179.25 180.13 2pn8 h PHE 235 N 0.44 1.12 -0.69 0.00 0.04 -0.85 -1.46 116.94 115.54 2pn8 h PHE 235 Ca 0.12 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 2pn8 h PHE 235 Cb 0.22 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 2pn8 h PHE 235 CO 0.00 0.96 0.31 1.96 -0.60 0.00 0.00 178.31 180.94 2pn8 h GLN 236 N 0.95 1.01 -0.10 1.51 4.20 -1.00 0.39 115.11 122.07 2pn8 h GLN 236 Ca 0.19 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2pn8 h GLN 236 Cb 0.46 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 2pn8 h GLN 236 CO 0.02 0.82 0.06 -0.92 -0.67 0.00 0.00 178.83 178.13 2pn8 h TYR 237 N 0.97 0.14 0.00 2.96 3.20 -0.93 -1.89 116.97 121.42 2pn8 h TYR 237 Ca 0.23 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 2pn8 h TYR 237 Cb 0.16 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2pn8 h TYR 237 CO 0.01 0.17 -0.40 1.79 -1.64 0.00 0.00 178.16 178.08 2pn8 h THR 238 N 0.07 1.25 -0.85 1.81 1.35 -1.07 -0.67 112.91 114.81 2pn8 h THR 238 Ca 0.04 -1.40 -0.02 0.00 -0.55 0.00 0.00 66.41 64.47 2pn8 h THR 238 Cb 0.07 1.76 -0.04 0.00 -1.73 0.00 0.00 68.15 68.22 2pn8 h THR 238 CO -0.01 0.40 0.44 0.44 -0.25 0.00 0.00 175.52 176.54 2pn8 h ASP 239 N 0.00 1.08 0.41 5.36 3.32 -0.65 -1.80 116.42 124.15 2pn8 h ASP 239 Ca -0.00 -0.11 -0.31 0.00 0.02 0.00 0.00 57.03 56.62 2pn8 h ASP 239 Cb 0.73 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2pn8 h ASP 239 CO 0.05 0.88 -1.57 0.50 -1.72 0.00 0.00 179.24 177.39 2pn8 h LYS 240 N 1.19 0.27 0.00 3.56 3.64 -0.82 -3.40 116.57 120.99 2pn8 h LYS 240 Ca 0.29 -0.45 -0.10 0.00 -1.27 0.00 0.00 60.65 59.12 2pn8 h LYS 240 Cb 0.06 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2pn8 h LYS 240 CO -0.04 1.13 -1.69 0.72 -2.27 0.00 0.00 179.45 177.30 2pn8 n HIS 241 N -3.47 0.00 -1.27 1.91 8.25 -0.31 -5.01 115.22 115.33 2pn8 n HIS 241 Ca -0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.19 2pn8 n HIS 241 Cb 1.05 -0.43 -0.04 0.00 1.12 0.00 0.00 29.99 31.69 2pn8 n HIS 241 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pn8 n GLY 242 N 2.01 1.07 3.99 -1.41 0.00 -0.68 -5.01 105.19 105.17 2pn8 n GLY 242 Ca -0.10 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.61 2.65 0.22 1.61 2.02 -1.26 -4.60 118.70 116.73 2pn8 s GLU 243 Ca 0.00 -1.06 0.11 0.00 0.02 0.00 0.00 54.97 54.04 2pn8 s GLU 243 Cb 0.00 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 2pn8 s GLU 243 CO 0.00 -0.52 -0.16 0.14 0.02 0.00 0.00 175.26 174.74 2pn8 s VAL 244 N -2.57 2.76 -0.34 2.63 -7.23 0.02 -4.53 120.40 111.14 2pn8 s VAL 244 Ca 0.57 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.63 2pn8 s VAL 244 Cb -0.10 -2.38 -0.00 0.00 0.56 0.00 0.00 36.38 34.46 2pn8 s VAL 244 CO 0.36 -0.21 0.20 0.00 -0.31 0.00 0.00 175.10 175.14 2pn8 n PRO 246 N 5.04 -1.44 -1.55 0.00 -0.02 -1.26 -4.85 135.00 130.91 2pn8 n PRO 246 Ca -0.13 -0.39 -0.53 0.00 -2.02 0.00 0.00 63.50 60.43 2pn8 n PRO 246 Cb 0.48 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 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 -4.40 -1.77 -1.03 3.55 0.00 -1.26 -1.84 120.51 113.75 2pn8 n ALA 247 Ca 0.04 0.53 -0.01 0.00 0.00 0.00 0.00 53.44 54.00 2pn8 n ALA 247 Cb 0.56 -1.96 -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 2.10 0.37 3.60 0.00 0.00 -1.26 -4.96 105.19 105.05 2pn8 n GLY 248 Ca 0.18 -0.07 -0.47 0.00 0.00 0.00 0.00 46.02 45.66 2pn8 n GLY 248 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2pn8 n TRP 249 N -2.58 1.49 -4.28 1.61 -0.00 -0.77 -5.02 117.44 107.90 2pn8 n TRP 249 Ca -0.01 0.63 -0.15 0.00 -0.00 0.00 0.00 57.50 57.97 2pn8 n TRP 249 Cb 0.23 -2.31 -0.10 0.00 -0.00 0.00 0.00 31.31 29.12 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 -0.60 1.14 0.10 5.87 1.02 -1.26 -4.94 119.74 121.07 2pn8 s LYS 250 Ca 0.69 -1.51 -0.36 0.00 0.02 0.00 0.00 55.97 54.81 2pn8 s LYS 250 Cb -0.78 -0.66 -0.17 0.00 -0.52 0.00 0.00 37.83 35.71 2pn8 s LYS 250 CO 0.53 0.04 1.31 -2.30 -0.92 0.00 0.00 175.35 174.01 2pn8 n PRO 251 N -0.26 1.14 0.00 -1.68 -0.02 -1.26 -0.74 135.00 132.18 2pn8 n PRO 251 Ca -0.09 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2pn8 n PRO 251 Cb 0.61 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 2.44 2.59 3.84 -1.23 0.00 -1.26 -5.07 105.19 106.50 2pn8 n GLY 252 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2pn8 n GLY 252 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pn8 s SER 253 N -1.26 5.69 0.46 1.61 0.01 0.08 -5.02 113.70 115.27 2pn8 s SER 253 Ca 0.00 1.51 -0.23 0.00 1.31 0.00 0.00 55.95 58.54 2pn8 s SER 253 Cb 0.00 -2.45 -0.07 0.00 0.21 0.00 0.00 66.02 63.71 2pn8 s SER 253 CO 0.00 -1.23 1.21 -1.61 0.41 0.00 0.00 173.24 172.02 2pn8 s GLU 254 N -5.11 3.71 0.47 12.44 2.02 -1.26 -4.95 118.70 126.01 2pn8 s GLU 254 Ca 0.57 1.89 0.04 0.00 0.02 0.00 0.00 54.97 57.48 2pn8 s GLU 254 Cb -0.13 -2.44 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 2pn8 s GLU 254 CO 0.54 -0.63 0.02 0.95 0.02 0.00 0.00 175.26 176.17 2pn8 s THR 255 N -1.47 1.52 -0.04 3.63 -4.23 -1.26 -4.50 115.64 109.29 2pn8 s THR 255 Ca 0.64 -1.97 0.06 0.00 -1.18 0.00 0.00 61.69 59.23 2pn8 s THR 255 Cb -0.31 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.02 2pn8 s THR 255 CO 0.38 0.00 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.61 2pn8 s ILE 256 N -2.80 1.81 -0.28 2.99 1.01 -0.65 -4.75 121.20 118.52 2pn8 s ILE 256 Ca 0.18 -0.94 -0.28 0.00 0.00 0.00 0.00 60.65 59.61 2pn8 s ILE 256 Cb 0.05 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 41.00 2pn8 s ILE 256 CO 0.10 0.51 1.04 -0.63 0.00 0.00 0.00 174.94 175.95 2pn8 s ILE 257 N -0.22 4.60 -1.53 2.92 1.01 -1.26 -0.80 121.20 125.91 2pn8 s ILE 257 Ca 0.00 1.80 -0.12 0.00 0.00 0.00 0.00 60.65 62.33 2pn8 s ILE 257 Cb -0.12 -4.35 -0.02 0.00 0.01 0.00 0.00 42.46 37.99 2pn8 s ILE 257 CO 0.02 -0.34 2.57 -0.81 0.00 0.00 0.00 174.94 176.38 2pn8 n PRO 258 N 6.60 3.30 -4.06 2.79 -0.04 -1.26 -2.64 135.00 139.69 2pn8 n PRO 258 Ca 0.11 -2.45 -0.14 0.00 -0.04 0.00 0.00 63.50 60.99 2pn8 n PRO 258 Cb 0.47 -3.04 -0.13 0.00 -0.04 0.00 0.00 33.50 30.75 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 2.62 0.53 0.58 3.54 2.15 -1.26 -5.01 116.67 119.82 2pn8 s ASP 259 Ca 0.58 -0.25 0.28 0.00 0.43 0.00 0.00 52.55 53.59 2pn8 s ASP 259 Cb 0.16 -0.01 1.68 0.00 -0.30 0.00 0.00 42.92 44.45 2pn8 s ASP 259 CO -0.07 -0.06 2.15 -0.65 -0.17 0.00 0.00 175.17 176.36 2pn8 h PRO 260 N 5.46 0.00 0.00 4.34 0.11 -2.01 -0.71 132.00 139.19 2pn8 h PRO 260 Ca -0.30 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.62 2pn8 h PRO 260 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2pn8 h PRO 260 CO 0.47 0.00 -1.14 0.00 -0.21 0.00 0.00 178.00 177.12 2pn8 h ALA 261 N 1.84 0.22 -0.14 -0.75 0.00 -1.96 -3.40 119.26 115.08 2pn8 h ALA 261 Ca 0.06 -1.10 0.04 0.00 0.00 0.00 0.00 54.91 53.91 2pn8 h ALA 261 Cb 0.33 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2pn8 h ALA 261 CO -0.00 0.67 0.12 0.78 0.00 0.00 0.00 179.25 180.81 2pn8 h GLY 262 N -1.00 0.00 1.91 0.00 0.00 -1.79 -2.51 103.07 99.69 2pn8 h GLY 262 Ca -0.29 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.05 2pn8 h GLY 262 CO -0.18 0.00 0.03 0.07 0.00 0.00 0.00 176.54 176.47 2pn8 h LYS 263 N 0.00 0.00 0.00 4.80 2.10 -0.88 -2.81 116.57 119.78 2pn8 h LYS 263 Ca 0.07 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.67 2pn8 h LYS 263 Cb 0.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 2pn8 h LYS 263 CO -0.00 0.00 -0.22 -0.07 -2.00 0.00 0.00 179.45 177.16 2pn8 h LEU 264 N 0.00 0.00 -0.81 7.07 3.38 -1.70 -1.84 115.31 121.42 2pn8 h LEU 264 Ca 0.02 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.10 2pn8 h LEU 264 Cb 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 2pn8 h LEU 264 CO -0.00 0.22 0.43 0.11 0.09 0.00 0.00 178.44 179.29 2pn8 h LYS 265 N 0.00 0.66 0.00 1.13 1.79 -1.71 0.36 116.57 118.80 2pn8 h LYS 265 Ca -0.00 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2pn8 h LYS 265 Cb 0.63 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2pn8 h LYS 265 CO 0.03 0.44 -0.00 -0.92 -1.08 0.00 0.00 179.45 177.91 2pn8 h TYR 266 N 0.68 -0.00 -0.11 -1.35 5.03 -1.55 -3.38 116.97 116.29 2pn8 h TYR 266 Ca 0.41 -0.00 -0.19 0.00 2.58 0.00 0.00 58.73 61.53 2pn8 h TYR 266 Cb 0.48 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.76 2pn8 h TYR 266 CO -0.09 0.78 -0.73 0.74 -1.32 0.00 0.00 178.16 177.55 2pn8 h PHE 267 N -0.78 0.72 -0.01 -3.82 0.04 -1.14 -3.53 116.94 108.43 2pn8 h PHE 267 Ca -0.00 -0.31 0.00 0.00 2.80 0.00 0.00 57.97 60.46 2pn8 h PHE 267 Cb 0.78 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.82 2pn8 h PHE 267 CO 0.20 1.09 0.00 -3.47 -0.60 0.00 0.00 178.31 175.53