#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r1b n GLY 81 N 0.00 5.05 3.70 -0.02 0.00 -1.26 -4.90 105.19 107.76 2r1b n GLY 81 Ca 0.00 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 2r1b n GLY 81 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2r1b s HIS 82 N -1.13 2.68 -0.01 1.61 0.09 -1.26 -5.00 115.29 112.28 2r1b s HIS 82 Ca 0.00 0.39 0.05 0.00 -0.00 0.00 0.00 55.06 55.51 2r1b s HIS 82 Cb 0.00 -4.00 -0.01 0.00 -0.00 0.00 0.00 32.58 28.57 2r1b s HIS 82 CO 0.00 -3.88 -0.17 0.00 -0.00 0.00 0.00 174.74 170.70 2r1b s ALA 83 N 1.92 1.37 0.00 -1.40 0.00 -1.26 -5.06 121.76 117.33 2r1b s ALA 83 Ca 0.73 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.97 2r1b s ALA 83 Cb -0.43 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.35 2r1b s ALA 83 CO 0.32 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.83 2r1b n GLY 84 N 2.62 0.37 3.68 0.00 0.00 -1.26 -4.31 105.19 106.29 2r1b n GLY 84 Ca -0.15 -0.85 -0.47 0.00 0.00 0.00 0.00 46.02 44.55 2r1b n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2r1b n THR 85 N 0.00 0.46 -3.83 2.61 -1.04 -1.26 -4.91 114.28 106.32 2r1b n THR 85 Ca 0.00 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.05 61.80 2r1b n THR 85 Cb 0.00 -1.84 -0.14 0.00 -1.82 0.00 0.00 70.33 66.54 2r1b n THR 85 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2r1b s THR 86 N 3.39 -0.01 0.04 12.58 -4.23 -1.26 -3.19 115.64 122.96 2r1b s THR 86 Ca 0.89 0.03 0.09 0.00 -1.18 0.00 0.00 61.69 61.52 2r1b s THR 86 Cb -0.67 -0.12 -0.03 0.00 1.34 0.00 0.00 72.50 73.02 2r1b s THR 86 CO 0.48 0.01 -0.26 -0.31 -0.54 0.00 0.00 174.62 174.00 2r1b s TYR 87 N 0.21 2.34 -0.17 3.99 1.51 -0.73 -1.48 117.35 123.02 2r1b s TYR 87 Ca -0.01 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 55.58 2r1b s TYR 87 Cb -0.02 -1.41 -0.04 0.00 -0.11 0.00 0.00 41.96 40.38 2r1b s TYR 87 CO -0.01 0.12 0.03 0.42 -1.11 0.00 0.00 175.55 175.01 2r1b s ILE 88 N -0.80 4.51 -0.31 2.71 1.01 -0.33 -1.72 121.20 126.28 2r1b s ILE 88 Ca 0.12 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.53 2r1b s ILE 88 Cb -0.10 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 2r1b s ILE 88 CO 0.02 0.47 0.18 -0.36 0.00 0.00 0.00 174.94 175.25 2r1b s PHE 89 N 0.34 3.19 0.56 3.97 0.40 -0.13 -1.56 117.98 124.75 2r1b s PHE 89 Ca 0.01 -0.29 0.05 0.00 -0.60 0.00 0.00 56.93 56.10 2r1b s PHE 89 Cb -0.13 -2.39 0.04 0.00 0.51 0.00 0.00 43.02 41.06 2r1b s PHE 89 CO 0.01 -0.35 0.38 -1.12 0.70 0.00 0.00 175.22 174.84 2r1b s SER 90 N 1.68 4.57 0.08 1.36 0.01 -0.64 -1.79 113.70 118.97 2r1b s SER 90 Ca 0.06 -1.33 -0.37 0.00 1.31 0.00 0.00 55.95 55.62 2r1b s SER 90 Cb -0.17 0.54 -0.17 0.00 0.21 0.00 0.00 66.02 66.43 2r1b s SER 90 CO 0.08 -1.14 1.25 0.29 0.41 0.00 0.00 173.24 174.14 2r1b n LYS 91 N -1.76 0.89 0.00 12.44 5.02 -1.26 0.38 118.16 133.86 2r1b n LYS 91 Ca -0.04 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 2r1b n LYS 91 Cb 0.65 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2r1b n LYS 91 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2r1b n GLY 92 N 2.25 3.04 0.00 0.72 0.00 -1.26 -4.86 105.19 105.08 2r1b n GLY 92 Ca 0.18 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2r1b n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r1b n GLY 93 N 0.00 -1.41 0.00 -0.02 0.00 0.16 -4.94 105.19 98.99 2r1b n GLY 93 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 2r1b n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r1b n GLY 94 N -1.41 1.81 3.29 -0.02 0.00 -1.26 -1.24 105.19 106.36 2r1b n GLY 94 Ca 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 2r1b n GLY 94 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2r1b s GLN 95 N -0.79 0.47 -0.15 1.61 0.74 0.02 -4.41 119.66 117.15 2r1b s GLN 95 Ca 0.00 0.58 0.01 0.00 0.05 0.00 0.00 55.36 56.00 2r1b s GLN 95 Cb 0.00 0.21 -0.00 0.00 1.10 0.00 0.00 33.01 34.32 2r1b s GLN 95 CO 0.00 -0.06 -0.16 0.42 -0.55 0.00 0.00 175.29 174.93 2r1b s ILE 96 N 0.30 2.59 -0.13 -2.34 1.01 -0.83 -1.75 121.20 120.05 2r1b s ILE 96 Ca -0.01 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.85 2r1b s ILE 96 Cb -0.03 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.38 2r1b s ILE 96 CO -0.00 0.52 -0.16 -0.89 0.00 0.00 0.00 174.94 174.41 2r1b s THR 97 N 0.73 1.62 -0.22 2.92 2.01 -0.20 -1.21 115.64 121.29 2r1b s THR 97 Ca -0.07 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.16 2r1b s THR 97 Cb -0.16 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 2r1b s THR 97 CO 0.01 0.47 0.09 -0.47 -0.69 0.00 0.00 174.62 174.02 2r1b s TYR 98 N 1.15 3.20 -0.23 4.92 5.04 -0.20 -1.49 117.35 129.74 2r1b s TYR 98 Ca -0.02 -0.06 -0.00 0.00 -2.44 0.00 0.00 57.07 54.55 2r1b s TYR 98 Cb -0.14 -2.18 0.03 0.00 0.35 0.00 0.00 41.96 40.02 2r1b s TYR 98 CO -0.05 -0.05 -0.11 0.21 -1.34 0.00 0.00 175.55 174.21 2r1b s LYS 99 N 0.97 2.77 0.36 4.97 2.20 -0.51 -1.33 119.74 129.17 2r1b s LYS 99 Ca 0.05 -1.00 -0.28 0.00 -0.36 0.00 0.00 55.97 54.37 2r1b s LYS 99 Cb -0.14 -2.86 -0.10 0.00 -1.51 0.00 0.00 37.83 33.22 2r1b s LYS 99 CO 0.03 -0.38 1.36 -1.58 -0.36 0.00 0.00 175.35 174.42 2r1b s TRP 100 N 1.27 2.85 0.28 4.03 0.51 -1.05 -4.84 118.94 122.00 2r1b s TRP 100 Ca -0.00 1.34 -0.29 0.00 -2.12 0.00 0.00 56.10 55.02 2r1b s TRP 100 Cb -0.16 -3.79 -0.13 0.00 -0.81 0.00 0.00 33.47 28.57 2r1b s TRP 100 CO -0.07 -2.27 1.23 -2.30 -0.51 0.00 0.00 176.95 173.03 2r1b n PRO 101 N 0.54 1.80 -0.32 4.98 -0.02 -1.26 -4.88 135.00 135.83 2r1b n PRO 101 Ca 0.01 0.63 0.21 0.00 -2.02 0.00 0.00 63.50 62.33 2r1b n PRO 101 Cb 0.41 -2.17 0.39 0.00 -0.02 0.00 0.00 33.50 32.12 2r1b n PRO 101 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2r1b n PRO 102 N 1.11 -0.07 0.00 0.52 -0.02 -1.26 -0.87 135.00 134.41 2r1b n PRO 102 Ca 0.09 1.39 0.14 0.00 -2.02 0.00 0.00 63.50 63.10 2r1b n PRO 102 Cb 0.33 -2.32 0.67 0.00 -0.02 0.00 0.00 33.50 32.15 2r1b n PRO 102 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2r1b n ASN 103 N -5.33 0.00 -0.58 2.55 4.13 -1.26 -3.84 115.26 110.93 2r1b n ASN 103 Ca 0.28 0.28 0.08 0.00 1.68 0.00 0.00 54.58 56.89 2r1b n ASN 103 Cb 0.93 -0.42 0.19 0.00 -1.54 0.00 0.00 39.78 38.94 2r1b n ASN 103 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2r1b n ASP 104 N -1.43 3.22 -4.70 6.41 8.00 -0.05 -5.02 116.55 122.99 2r1b n ASP 104 Ca 0.10 -2.81 -0.42 0.00 0.71 0.00 0.00 54.79 52.37 2r1b n ASP 104 Cb 0.31 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.95 2r1b n ASP 104 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2r1b s ARG 105 N -2.43 4.28 0.51 -1.24 0.52 -1.23 -4.85 118.95 114.52 2r1b s ARG 105 Ca 0.34 2.03 -0.19 0.00 -0.52 0.00 0.00 55.73 57.38 2r1b s ARG 105 Cb 0.27 -3.50 -0.07 0.00 0.52 0.00 0.00 34.95 32.17 2r1b s ARG 105 CO 0.08 -0.55 1.04 -1.25 0.02 0.00 0.00 175.30 174.64 2r1b s PRO 106 N 2.10 3.68 -0.16 3.54 0.04 -1.25 -4.71 135.00 138.23 2r1b s PRO 106 Ca 0.65 1.31 -0.00 0.00 0.04 0.00 0.00 61.00 63.00 2r1b s PRO 106 Cb -0.34 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.17 2r1b s PRO 106 CO 0.28 -0.53 -0.06 -1.12 0.04 0.00 0.00 177.00 175.61 2r1b s SER 107 N -2.22 2.76 -0.01 6.66 0.01 -1.26 -1.19 113.70 118.45 2r1b s SER 107 Ca 0.66 -0.62 0.08 0.00 1.31 0.00 0.00 55.95 57.38 2r1b s SER 107 Cb -0.16 -0.92 -0.02 0.00 0.21 0.00 0.00 66.02 65.13 2r1b s SER 107 CO 0.25 -0.17 -0.24 0.42 0.41 0.00 0.00 173.24 173.91 2r1b s THR 108 N 1.63 2.26 0.11 1.44 -4.23 -0.85 -4.94 115.64 111.08 2r1b s THR 108 Ca 0.01 -1.12 0.13 0.00 -1.18 0.00 0.00 61.69 59.53 2r1b s THR 108 Cb -0.15 -1.83 -0.01 0.00 1.34 0.00 0.00 72.50 71.85 2r1b s THR 108 CO -0.08 0.52 1.53 0.03 -0.54 0.00 0.00 174.62 176.08 2r1b h ARG 109 N 5.26 0.00 -3.79 3.99 3.08 -1.90 -0.28 114.38 120.73 2r1b h ARG 109 Ca -0.45 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.38 2r1b h ARG 109 Cb 1.13 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.91 2r1b h ARG 109 CO 0.47 0.62 -0.72 0.00 -1.07 0.00 0.00 179.97 179.27 2r1b s ALA 110 N -3.24 0.04 0.07 0.04 0.00 -1.26 -1.21 121.76 116.20 2r1b s ALA 110 Ca 0.01 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 51.91 2r1b s ALA 110 Cb 0.10 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 2r1b s ALA 110 CO 0.75 -0.02 -0.11 -0.51 0.00 0.00 0.00 175.76 175.87 2r1b s ASP 111 N -0.22 1.39 -0.06 0.00 1.01 -0.28 -4.99 116.67 113.51 2r1b s ASP 111 Ca -0.02 -0.66 -0.02 0.00 0.71 0.00 0.00 52.55 52.56 2r1b s ASP 111 Cb -0.02 -0.01 0.04 0.00 1.01 0.00 0.00 42.92 43.94 2r1b s ASP 111 CO -0.00 -0.17 0.13 -0.13 0.21 0.00 0.00 175.17 175.21 2r1b s ARG 112 N -2.01 0.06 -0.01 8.23 0.52 -1.26 -1.67 118.95 122.81 2r1b s ARG 112 Ca -0.02 0.37 0.01 0.00 -0.52 0.00 0.00 55.73 55.57 2r1b s ARG 112 Cb -0.08 -0.21 0.01 0.00 0.52 0.00 0.00 34.95 35.19 2r1b s ARG 112 CO 0.01 -0.19 -0.03 -1.17 0.02 0.00 0.00 175.30 173.94 2r1b s LEU 113 N 1.33 1.74 -0.01 2.53 2.96 -0.59 -1.83 118.68 124.81 2r1b s LEU 113 Ca -0.07 -0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 53.71 2r1b s LEU 113 Cb -0.12 -0.22 0.00 0.00 0.50 0.00 0.00 46.19 46.36 2r1b s LEU 113 CO -0.05 0.00 0.14 0.00 -1.32 0.00 0.00 176.35 175.11 2r1b s ALA 114 N 0.27 -0.33 0.07 5.97 0.00 -0.71 -1.12 121.76 125.91 2r1b s ALA 114 Ca -0.03 -0.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.68 2r1b s ALA 114 Cb -0.06 0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.16 2r1b s ALA 114 CO -0.01 -0.18 0.54 -1.50 0.00 0.00 0.00 175.76 174.61 2r1b s ILE 115 N -1.10 0.03 -0.02 0.00 2.07 -0.90 -1.67 121.20 119.61 2r1b s ILE 115 Ca -0.12 -0.21 0.03 0.00 -1.41 0.00 0.00 60.65 58.94 2r1b s ILE 115 Cb -0.06 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.49 2r1b s ILE 115 CO 0.01 -0.12 -0.07 -0.83 -1.91 0.00 0.00 174.94 172.03 2r1b s GLY 116 N -2.15 1.73 0.10 1.50 0.00 -0.33 -1.77 107.32 106.39 2r1b s GLY 116 Ca -0.04 -0.98 -0.12 0.00 0.00 0.00 0.00 44.72 43.58 2r1b s GLY 116 CO -0.04 -0.82 0.29 -0.11 0.00 0.00 0.00 173.10 172.41 2r1b s PHE 117 N -0.94 -0.02 -0.07 1.90 -0.12 -0.37 -1.40 117.98 116.96 2r1b s PHE 117 Ca 0.16 -0.33 -0.08 0.00 -0.05 0.00 0.00 56.93 56.62 2r1b s PHE 117 Cb -0.11 0.09 0.02 0.00 -0.63 0.00 0.00 43.02 42.39 2r1b s PHE 117 CO 0.06 -0.60 0.23 -1.54 -0.05 0.00 0.00 175.22 173.31 2r1b s SER 118 N -2.75 -0.20 -0.07 1.98 1.04 -0.80 -1.57 113.70 111.32 2r1b s SER 118 Ca 0.03 0.35 -0.29 0.00 0.48 0.00 0.00 55.95 56.52 2r1b s SER 118 Cb 0.03 0.43 0.11 0.00 0.10 0.00 0.00 66.02 66.69 2r1b s SER 118 CO -0.11 -0.15 0.90 0.28 0.98 0.00 0.00 173.24 175.15 2r1b s THR 119 N -0.19 0.00 -2.07 2.02 -1.32 -1.26 -1.94 115.64 110.89 2r1b s THR 119 Ca -0.03 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.62 2r1b s THR 119 Cb -0.03 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.17 2r1b s THR 119 CO 0.01 0.00 1.12 1.33 -2.21 0.00 0.00 174.62 174.87 2r1b n VAL 120 N 0.30 0.19 -2.22 5.08 0.24 -1.26 -1.41 118.33 119.24 2r1b n VAL 120 Ca -0.11 -0.59 -0.41 0.00 -2.04 0.00 0.00 64.34 61.19 2r1b n VAL 120 Cb 0.60 1.21 -0.03 0.00 -1.47 0.00 0.00 33.84 34.14 2r1b n VAL 120 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2r1b s GLN 121 N -1.38 4.40 0.43 7.34 -0.21 -1.26 -4.89 119.66 124.09 2r1b s GLN 121 Ca 0.24 2.06 0.21 0.00 0.02 0.00 0.00 55.36 57.89 2r1b s GLN 121 Cb 0.15 -3.17 0.93 0.00 1.00 0.00 0.00 33.01 31.92 2r1b s GLN 121 CO 0.23 -0.20 1.85 0.87 -2.12 0.00 0.00 175.29 175.92 2r1b h LYS 122 N 4.90 0.00 -3.06 2.91 1.57 -1.94 -3.42 116.57 117.52 2r1b h LYS 122 Ca -0.46 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.13 2r1b h LYS 122 Cb 1.22 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.24 2r1b h LYS 122 CO 0.74 0.28 -0.48 -1.21 -0.57 0.00 0.00 179.45 178.21 2r1b s GLU 123 N -3.85 0.22 -0.09 3.15 8.01 -1.26 -1.32 118.70 123.55 2r1b s GLU 123 Ca -0.01 0.48 -0.30 0.00 0.01 0.00 0.00 54.97 55.14 2r1b s GLU 123 Cb 0.12 -0.06 0.12 0.00 -4.31 0.00 0.00 34.13 30.00 2r1b s GLU 123 CO 0.66 -0.13 0.98 0.00 0.01 0.00 0.00 175.26 176.77 2r1b s ALA 124 N 0.98 -1.90 -0.16 5.21 0.00 -0.77 -4.89 121.76 120.22 2r1b s ALA 124 Ca -0.07 1.33 -0.07 0.00 0.00 0.00 0.00 51.96 53.15 2r1b s ALA 124 Cb -0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2r1b s ALA 124 CO -0.06 -0.52 0.06 0.08 0.00 0.00 0.00 175.76 175.32 2r1b s VAL 125 N -2.20 4.83 -0.25 0.00 1.01 -0.26 -0.36 120.40 123.18 2r1b s VAL 125 Ca 0.03 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 2r1b s VAL 125 Cb -0.01 -3.15 -0.11 0.00 0.00 0.00 0.00 36.38 33.12 2r1b s VAL 125 CO -0.04 0.51 -0.32 0.18 0.00 0.00 0.00 175.10 175.42 2r1b n LEU 126 N 3.09 1.95 -3.88 3.92 4.32 -0.05 -2.70 117.00 123.66 2r1b n LEU 126 Ca -0.17 0.35 -0.13 0.00 -0.02 0.00 0.00 56.01 56.04 2r1b n LEU 126 Cb 0.53 -0.81 -0.14 0.00 -1.62 0.00 0.00 43.42 41.38 2r1b n LEU 126 CO 0.34 0.33 -0.37 -0.69 -1.22 0.00 0.00 177.39 175.78 2r1b s VAL 127 N -2.59 0.06 -0.01 4.08 1.01 -1.13 -1.41 120.40 120.41 2r1b s VAL 127 Ca -0.35 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2r1b s VAL 127 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.43 2r1b s VAL 127 CO 0.48 0.02 -0.05 -0.60 0.00 0.00 0.00 175.10 174.94 2r1b s ARG 128 N 0.02 0.51 -0.21 2.72 3.52 -0.29 -1.07 118.95 124.16 2r1b s ARG 128 Ca -0.00 -0.18 -0.04 0.00 -0.13 0.00 0.00 55.73 55.38 2r1b s ARG 128 Cb -0.01 -0.51 -0.02 0.00 -1.56 0.00 0.00 34.95 32.86 2r1b s ARG 128 CO -0.00 0.09 -0.03 0.08 -0.81 0.00 0.00 175.30 174.62 2r1b s VAL 129 N 0.06 3.58 -0.01 7.11 1.01 0.11 -0.71 120.40 131.55 2r1b s VAL 129 Ca -0.00 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.58 2r1b s VAL 129 Cb -0.05 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2r1b s VAL 129 CO -0.00 0.43 -0.12 -1.81 0.00 0.00 0.00 175.10 173.60 2r1b s ASP 130 N 1.23 4.21 0.98 3.32 1.01 -0.86 -1.53 116.67 125.02 2r1b s ASP 130 Ca 0.03 -0.22 -0.13 0.00 0.71 0.00 0.00 52.55 52.94 2r1b s ASP 130 Cb -0.14 -0.89 0.18 0.00 1.01 0.00 0.00 42.92 43.07 2r1b s ASP 130 CO -0.00 0.30 1.11 -0.94 0.21 0.00 0.00 175.17 175.85 2r1b s SER 131 N -1.14 2.86 1.16 0.27 1.04 -1.05 -1.14 113.70 115.71 2r1b s SER 131 Ca 0.14 1.07 -0.16 0.00 0.48 0.00 0.00 55.95 57.48 2r1b s SER 131 Cb -0.11 -1.69 0.27 0.00 0.10 0.00 0.00 66.02 64.59 2r1b s SER 131 CO 0.04 -2.97 1.05 -0.94 0.98 0.00 0.00 173.24 171.40 2r1b s SER 132 N -3.69 1.13 0.30 7.02 1.04 -0.40 -4.61 113.70 114.49 2r1b s SER 132 Ca 0.65 1.10 -0.29 0.00 0.48 0.00 0.00 55.95 57.89 2r1b s SER 132 Cb -0.17 -1.68 -0.10 0.00 0.10 0.00 0.00 66.02 64.17 2r1b s SER 132 CO 0.56 -4.05 1.35 -0.55 0.98 0.00 0.00 173.24 171.53 2r1b s SER 133 N -3.21 6.74 0.00 7.02 0.15 -1.26 -2.48 113.70 120.66 2r1b s SER 133 Ca 0.68 2.66 0.00 0.00 0.70 0.00 0.00 55.95 59.99 2r1b s SER 133 Cb -0.18 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 2r1b s SER 133 CO 0.60 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2r1b n GLY 134 N 1.31 1.68 3.80 9.45 0.00 -1.26 -5.03 105.19 115.14 2r1b n GLY 134 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 2r1b n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2r1b s LEU 135 N 0.00 3.84 -0.00 0.99 1.43 -1.04 -5.07 118.68 118.83 2r1b s LEU 135 Ca 0.00 -0.08 0.17 0.00 -1.03 0.00 0.00 54.13 53.19 2r1b s LEU 135 Cb 0.00 -2.46 -0.19 0.00 0.03 0.00 0.00 46.19 43.57 2r1b s LEU 135 CO 0.00 0.10 0.73 0.61 0.23 0.00 0.00 176.35 178.01 2r1b n GLY 136 N -0.15 -0.63 3.77 -3.19 0.00 -1.26 -4.76 105.19 98.96 2r1b n GLY 136 Ca -0.08 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 2r1b n GLY 136 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2r1b s ASP 137 N -2.65 6.48 0.28 1.61 1.01 -1.26 -4.87 116.67 117.27 2r1b s ASP 137 Ca 0.06 2.34 -0.21 0.00 0.71 0.00 0.00 52.55 55.46 2r1b s ASP 137 Cb 0.13 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.48 2r1b s ASP 137 CO 0.71 -0.71 0.79 -0.72 0.21 0.00 0.00 175.17 175.45 2r1b s TYR 138 N -1.43 -0.10 -0.09 4.23 -0.85 -0.72 -2.52 117.35 115.87 2r1b s TYR 138 Ca 0.58 -0.38 -0.05 0.00 -0.52 0.00 0.00 57.07 56.71 2r1b s TYR 138 Cb -0.30 0.73 0.04 0.00 0.38 0.00 0.00 41.96 42.80 2r1b s TYR 138 CO 0.38 -1.23 0.21 -1.17 -1.52 0.00 0.00 175.55 172.21 2r1b s LEU 139 N -2.98 0.60 -0.04 -3.49 2.96 -0.58 -1.68 118.68 113.47 2r1b s LEU 139 Ca 0.13 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.48 2r1b s LEU 139 Cb -0.05 0.60 0.02 0.00 0.50 0.00 0.00 46.19 47.26 2r1b s LEU 139 CO 0.07 -0.15 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.22 2r1b s GLU 140 N 1.12 0.71 -0.16 1.98 2.12 -0.19 -0.71 118.70 123.57 2r1b s GLU 140 Ca -0.08 -0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.14 2r1b s GLU 140 Cb -0.10 -0.75 -0.02 0.00 0.26 0.00 0.00 34.13 33.52 2r1b s GLU 140 CO -0.07 -0.08 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.35 2r1b s LEU 141 N 0.90 3.16 0.28 2.70 2.96 -0.23 -1.64 118.68 126.81 2r1b s LEU 141 Ca -0.11 -0.18 -0.12 0.00 -0.22 0.00 0.00 54.13 53.49 2r1b s LEU 141 Cb -0.14 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.79 2r1b s LEU 141 CO -0.00 0.15 0.53 -1.38 -1.32 0.00 0.00 176.35 174.33 2r1b s HIS 142 N 0.49 0.39 -0.06 5.38 -3.43 -0.44 -0.87 115.29 116.75 2r1b s HIS 142 Ca -0.04 -0.77 0.04 0.00 -0.80 0.00 0.00 55.06 53.49 2r1b s HIS 142 Cb -0.14 0.27 0.00 0.00 -1.43 0.00 0.00 32.58 31.27 2r1b s HIS 142 CO 0.03 -1.10 -0.18 0.42 -2.00 0.00 0.00 174.74 171.92 2r1b s ILE 143 N -3.69 1.50 -0.02 -5.38 1.01 0.52 -1.01 121.20 114.13 2r1b s ILE 143 Ca 0.22 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.14 2r1b s ILE 143 Cb -0.02 -1.31 0.02 0.00 0.01 0.00 0.00 42.46 41.16 2r1b s ILE 143 CO 0.11 0.43 -0.00 -1.00 0.00 0.00 0.00 174.94 174.48 2r1b s HIS 144 N 0.24 0.24 -1.50 3.97 3.76 -0.54 -1.85 115.29 119.62 2r1b s HIS 144 Ca -0.09 0.00 -0.14 0.00 -0.15 0.00 0.00 55.06 54.68 2r1b s HIS 144 Cb -0.14 -0.29 0.11 0.00 1.11 0.00 0.00 32.58 33.36 2r1b s HIS 144 CO 0.04 -0.08 0.73 1.04 -0.85 0.00 0.00 174.74 175.62 2r1b n GLN 145 N 3.76 -3.92 -1.26 1.40 1.13 -0.44 -1.09 117.38 116.96 2r1b n GLN 145 Ca -0.22 0.48 -0.09 0.00 -1.94 0.00 0.00 57.00 55.23 2r1b n GLN 145 Cb 0.53 -5.25 -0.04 0.00 0.11 0.00 0.00 30.24 25.59 2r1b n GLN 145 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2r1b n GLY 146 N -1.39 1.05 3.38 1.08 0.00 -0.62 -4.98 105.19 103.71 2r1b n GLY 146 Ca 0.03 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 2r1b n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r1b s LYS 147 N -2.64 2.88 0.30 1.61 -0.14 -0.25 -0.98 119.74 120.51 2r1b s LYS 147 Ca 0.00 -0.74 -0.24 0.00 -1.36 0.00 0.00 55.97 53.63 2r1b s LYS 147 Cb 0.00 -2.43 -0.09 0.00 -1.68 0.00 0.00 37.83 33.63 2r1b s LYS 147 CO 0.00 0.40 0.88 0.96 -0.76 0.00 0.00 175.35 176.82 2r1b s ILE 148 N -0.15 4.33 0.34 2.17 -5.25 -1.26 -1.46 121.20 119.91 2r1b s ILE 148 Ca -0.02 1.63 -0.18 0.00 -0.99 0.00 0.00 60.65 61.10 2r1b s ILE 148 Cb -0.14 -3.94 0.04 0.00 2.95 0.00 0.00 42.46 41.38 2r1b s ILE 148 CO 0.04 0.13 0.75 -0.83 -1.79 0.00 0.00 174.94 173.23 2r1b s GLY 149 N -1.67 0.19 0.10 6.27 0.00 -0.18 -1.55 107.32 110.47 2r1b s GLY 149 Ca 0.49 -0.57 0.04 0.00 0.00 0.00 0.00 44.72 44.68 2r1b s GLY 149 CO 0.22 -0.23 -0.11 -1.34 0.00 0.00 0.00 173.10 171.64 2r1b s VAL 150 N -3.07 0.98 -0.00 1.40 -7.23 -0.29 -1.33 120.40 110.86 2r1b s VAL 150 Ca 0.14 -1.61 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 2r1b s VAL 150 Cb -0.05 -1.34 -0.00 0.00 0.56 0.00 0.00 36.38 35.54 2r1b s VAL 150 CO 0.10 -0.52 0.01 -1.59 -0.31 0.00 0.00 175.10 172.78 2r1b s LYS 151 N -2.69 0.08 0.16 4.82 -2.85 -0.65 -1.84 119.74 116.77 2r1b s LYS 151 Ca 0.05 -0.10 -0.12 0.00 -1.00 0.00 0.00 55.97 54.80 2r1b s LYS 151 Cb -0.04 0.03 0.01 0.00 -2.06 0.00 0.00 37.83 35.77 2r1b s LYS 151 CO 0.00 -0.01 0.35 -0.59 0.10 0.00 0.00 175.35 175.20 2r1b s PHE 152 N -0.29 0.15 -0.11 1.78 -0.12 -0.33 -1.02 117.98 118.04 2r1b s PHE 152 Ca -0.03 -0.51 -0.05 0.00 -0.05 0.00 0.00 56.93 56.29 2r1b s PHE 152 Cb -0.02 0.10 0.05 0.00 -0.63 0.00 0.00 43.02 42.52 2r1b s PHE 152 CO -0.00 -0.74 0.23 1.21 -0.05 0.00 0.00 175.22 175.87 2r1b s ASN 153 N -2.91 0.08 -0.04 1.98 3.84 -0.68 -1.03 114.94 116.19 2r1b s ASN 153 Ca 0.11 0.51 0.08 0.00 0.21 0.00 0.00 52.86 53.77 2r1b s ASN 153 Cb 0.02 0.48 0.17 0.00 -0.55 0.00 0.00 41.25 41.36 2r1b s ASN 153 CO -0.04 -0.20 1.12 1.33 -2.79 0.00 0.00 177.10 176.52 2r1b n VAL 154 N 4.74 1.31 0.00 -5.21 0.24 -1.26 -1.75 118.33 116.40 2r1b n VAL 154 Ca -0.16 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 60.78 2r1b n VAL 154 Cb 0.51 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 2r1b n VAL 154 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2r1b n GLY 155 N -0.52 0.33 0.00 7.63 0.00 -1.26 -4.13 105.19 107.24 2r1b n GLY 155 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2r1b n GLY 155 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2r1b n THR 156 N 0.00 0.00 -3.95 2.61 -1.04 -1.26 -4.95 114.28 105.69 2r1b n THR 156 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 2r1b n THR 156 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 2r1b n THR 156 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2r1b s ASP 157 N 1.00 5.96 0.24 8.00 -0.00 -1.26 -5.08 116.67 125.53 2r1b s ASP 157 Ca 0.00 -0.10 -0.30 0.00 -0.00 0.00 0.00 52.55 52.16 2r1b s ASP 157 Cb 0.00 -1.59 -0.09 0.00 -0.00 0.00 0.00 42.92 41.24 2r1b s ASP 157 CO 0.00 -0.12 1.14 -1.81 -0.00 0.00 0.00 175.17 174.38 2r1b s ASP 158 N -3.96 7.18 -0.11 0.27 1.11 -1.26 -4.65 116.67 115.26 2r1b s ASP 158 Ca 0.35 2.27 0.03 0.00 0.18 0.00 0.00 52.55 55.38 2r1b s ASP 158 Cb -0.08 -2.62 -0.01 0.00 1.07 0.00 0.00 42.92 41.28 2r1b s ASP 158 CO 0.28 -0.24 -0.20 -0.63 1.18 0.00 0.00 175.17 175.56 2r1b s ILE 159 N -0.74 2.43 -0.01 0.77 1.01 -0.20 -4.97 121.20 119.49 2r1b s ILE 159 Ca 0.48 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 60.30 2r1b s ILE 159 Cb -0.32 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 2r1b s ILE 159 CO 0.40 0.55 -0.21 0.00 0.00 0.00 0.00 174.94 175.68 2r1b s ALA 160 N 0.29 1.73 -0.02 9.38 0.00 -1.26 -1.19 121.76 130.69 2r1b s ALA 160 Ca -0.15 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2r1b s ALA 160 Cb -0.17 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.54 2r1b s ALA 160 CO 0.07 0.42 0.02 0.42 0.00 0.00 0.00 175.76 176.69 2r1b s ILE 161 N -0.52 -0.01 0.00 0.00 1.01 -0.77 -5.02 121.20 115.90 2r1b s ILE 161 Ca 0.08 0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.90 2r1b s ILE 161 Cb -0.08 -0.09 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 2r1b s ILE 161 CO -0.01 0.08 -0.08 -0.70 0.00 0.00 0.00 174.94 174.23 2r1b s GLU 162 N 0.82 0.62 -0.83 2.79 2.12 -1.26 -1.13 118.70 121.83 2r1b s GLU 162 Ca -0.07 -0.34 -0.20 0.00 0.36 0.00 0.00 54.97 54.71 2r1b s GLU 162 Cb -0.10 -0.58 0.10 0.00 0.26 0.00 0.00 34.13 33.81 2r1b s GLU 162 CO -0.02 0.15 1.08 -2.00 -0.54 0.00 0.00 175.26 173.93 2r1b s GLU 163 N -0.37 3.41 0.00 4.30 2.56 -0.60 -4.87 118.70 123.13 2r1b s GLU 163 Ca 0.02 -1.37 0.31 0.00 0.00 0.00 0.00 54.97 53.93 2r1b s GLU 163 Cb -0.04 -4.68 1.67 0.00 2.00 0.00 0.00 34.13 33.08 2r1b s GLU 163 CO -0.00 -1.81 2.10 -1.13 -0.56 0.00 0.00 175.26 173.86 2r1b n SER 164 N 7.12 0.30 -0.67 -1.70 3.41 -1.26 -4.00 113.62 116.82 2r1b n SER 164 Ca 0.14 -0.97 0.08 0.00 -0.26 0.00 0.00 58.87 57.85 2r1b n SER 164 Cb 0.48 -0.03 0.10 0.00 -0.26 0.00 0.00 64.21 64.49 2r1b n SER 164 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2r1b n ASN 165 N -0.82 2.50 -3.78 4.04 3.02 -1.26 -4.88 115.26 114.08 2r1b n ASN 165 Ca 0.21 -1.72 -0.23 0.00 -0.03 0.00 0.00 54.58 52.81 2r1b n ASN 165 Cb 0.18 -0.07 -0.17 0.00 -0.61 0.00 0.00 39.78 39.10 2r1b n ASN 165 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2r1b s ALA 166 N -1.22 0.77 -0.02 5.41 0.00 -1.26 -5.12 121.76 120.32 2r1b s ALA 166 Ca 0.21 -0.19 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 2r1b s ALA 166 Cb 0.14 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2r1b s ALA 166 CO 0.20 -0.49 1.06 0.42 0.00 0.00 0.00 175.76 176.94 2r1b s ILE 167 N 1.95 4.61 0.00 0.00 1.01 -1.26 -4.68 121.20 122.82 2r1b s ILE 167 Ca 0.05 1.88 0.00 0.00 0.00 0.00 0.00 60.65 62.58 2r1b s ILE 167 Cb -0.12 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.14 2r1b s ILE 167 CO -0.06 0.09 0.79 2.30 0.00 0.00 0.00 174.94 178.07 2r1b n ILE 168 N 4.16 0.60 -1.76 2.92 -6.64 -0.15 -4.73 119.36 113.76 2r1b n ILE 168 Ca 0.08 -0.79 -0.36 0.00 -1.77 0.00 0.00 62.75 59.91 2r1b n ILE 168 Cb 0.49 0.71 0.02 0.00 -1.44 0.00 0.00 39.64 39.42 2r1b n ILE 168 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 2r1b n ASN 169 N -0.30 7.29 -1.07 7.28 6.94 -1.25 -4.50 115.26 129.65 2r1b n ASN 169 Ca 0.00 -3.68 0.12 0.00 -0.02 0.00 0.00 54.58 51.00 2r1b n ASN 169 Cb 0.16 -1.10 0.18 0.00 -2.36 0.00 0.00 39.78 36.66 2r1b n ASN 169 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2r1b n ASP 170 N -0.23 3.24 0.00 0.53 5.75 -1.19 -4.39 116.55 120.27 2r1b n ASP 170 Ca 0.53 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 2r1b n ASP 170 Cb 0.34 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 2r1b n ASP 170 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2r1b n GLY 171 N 1.44 0.47 3.67 6.12 0.00 -0.50 -4.96 105.19 111.43 2r1b n GLY 171 Ca 0.17 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 2r1b n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r1b s LYS 172 N -0.69 2.37 0.13 1.61 1.02 -1.26 -4.73 119.74 118.19 2r1b s LYS 172 Ca 0.00 -1.39 -0.31 0.00 0.02 0.00 0.00 55.97 54.30 2r1b s LYS 172 Cb 0.00 -2.20 -0.08 0.00 -0.52 0.00 0.00 37.83 35.03 2r1b s LYS 172 CO 0.00 0.35 1.28 -0.47 -0.92 0.00 0.00 175.35 175.60 2r1b s TYR 173 N -2.31 3.34 0.12 3.18 5.04 -1.26 -4.50 117.35 120.95 2r1b s TYR 173 Ca 0.32 1.20 0.04 0.00 -2.44 0.00 0.00 57.07 56.19 2r1b s TYR 173 Cb -0.06 -3.54 -0.04 0.00 0.35 0.00 0.00 41.96 38.66 2r1b s TYR 173 CO 0.21 -1.74 -0.10 -1.01 -1.34 0.00 0.00 175.55 171.57 2r1b s HIS 174 N 0.63 1.12 0.07 4.97 3.76 -0.61 -5.00 115.29 120.23 2r1b s HIS 174 Ca 0.59 -0.73 0.09 0.00 -0.15 0.00 0.00 55.06 54.86 2r1b s HIS 174 Cb -0.34 -0.60 -0.03 0.00 1.11 0.00 0.00 32.58 32.72 2r1b s HIS 174 CO 0.33 0.01 -0.25 0.08 -0.85 0.00 0.00 174.74 174.07 2r1b s VAL 175 N -2.95 2.32 -0.01 -0.90 1.01 -1.26 -1.24 120.40 117.37 2r1b s VAL 175 Ca 0.11 -1.45 0.04 0.00 0.00 0.00 0.00 61.98 60.68 2r1b s VAL 175 Cb 0.00 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 2r1b s VAL 175 CO -0.00 0.29 -0.13 0.54 0.00 0.00 0.00 175.10 175.79 2r1b s VAL 176 N -0.90 1.03 -0.08 2.92 0.11 -0.73 -0.95 120.40 121.79 2r1b s VAL 176 Ca 0.13 -0.54 0.03 0.00 -2.93 0.00 0.00 61.98 58.67 2r1b s VAL 176 Cb -0.10 -0.86 0.01 0.00 -1.53 0.00 0.00 36.38 33.89 2r1b s VAL 176 CO 0.04 0.29 -0.18 -0.13 -3.33 0.00 0.00 175.10 171.79 2r1b s ARG 177 N -0.23 2.35 -0.03 1.54 0.52 -0.62 -2.11 118.95 120.37 2r1b s ARG 177 Ca 0.04 -0.64 0.05 0.00 -0.52 0.00 0.00 55.73 54.66 2r1b s ARG 177 Cb -0.06 -1.84 -0.01 0.00 0.52 0.00 0.00 34.95 33.56 2r1b s ARG 177 CO -0.00 0.10 -0.18 0.12 0.02 0.00 0.00 175.30 175.36 2r1b s PHE 178 N 0.51 1.72 0.06 -0.53 5.36 -0.27 -1.32 117.98 123.51 2r1b s PHE 178 Ca -0.17 -0.43 0.03 0.00 -0.96 0.00 0.00 56.93 55.41 2r1b s PHE 178 Cb -0.17 -1.14 -0.03 0.00 -0.34 0.00 0.00 43.02 41.35 2r1b s PHE 178 CO 0.06 -0.11 -0.10 0.95 -1.46 0.00 0.00 175.22 174.56 2r1b s THR 179 N -0.17 0.78 0.01 0.12 -4.23 -0.89 -1.54 115.64 109.71 2r1b s THR 179 Ca 0.01 -1.19 0.02 0.00 -1.18 0.00 0.00 61.69 59.35 2r1b s THR 179 Cb -0.10 -0.82 -0.01 0.00 1.34 0.00 0.00 72.50 72.91 2r1b s THR 179 CO 0.01 -0.33 -0.08 -0.60 -0.54 0.00 0.00 174.62 173.09 2r1b s ARG 180 N -1.69 0.57 -0.28 3.99 3.52 -0.67 -0.85 118.95 123.54 2r1b s ARG 180 Ca -0.06 -0.38 -0.03 0.00 -0.13 0.00 0.00 55.73 55.13 2r1b s ARG 180 Cb -0.10 -0.52 0.11 0.00 -1.56 0.00 0.00 34.95 32.89 2r1b s ARG 180 CO 0.01 0.13 0.19 -1.12 -0.81 0.00 0.00 175.30 173.71 2r1b s SER 181 N -0.51 2.73 1.75 -2.12 0.01 -0.48 -1.13 113.70 113.96 2r1b s SER 181 Ca 0.00 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.23 2r1b s SER 181 Cb -0.04 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2r1b s SER 181 CO 0.00 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.85 2r1b n GLY 182 N 5.28 3.68 0.04 3.44 0.00 -0.35 -1.32 105.19 115.96 2r1b n GLY 182 Ca -0.05 0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.32 2r1b n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r1b n GLY 183 N 0.00 -1.18 3.90 -0.02 0.00 -1.26 -4.87 105.19 101.75 2r1b n GLY 183 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 2r1b n GLY 183 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2r1b s ASN 184 N -2.90 6.42 0.08 1.61 0.02 -0.43 -4.83 114.94 114.91 2r1b s ASN 184 Ca 0.14 0.81 -0.19 0.00 -1.02 0.00 0.00 52.86 52.60 2r1b s ASN 184 Cb 0.18 -2.19 0.04 0.00 0.02 0.00 0.00 41.25 39.31 2r1b s ASN 184 CO 0.64 -0.31 0.46 0.00 0.02 0.00 0.00 177.10 177.91 2r1b s ALA 185 N -2.28 -1.15 0.05 0.60 0.00 -0.76 -1.38 121.76 116.84 2r1b s ALA 185 Ca 0.46 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.73 2r1b s ALA 185 Cb -0.10 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 2r1b s ALA 185 CO 0.33 -0.57 -0.05 0.95 0.00 0.00 0.00 175.76 176.42 2r1b s THR 186 N -3.05 0.41 0.00 0.00 -4.23 -0.03 -1.15 115.64 107.59 2r1b s THR 186 Ca -0.02 -1.36 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 2r1b s THR 186 Cb 0.00 -0.92 -0.01 0.00 1.34 0.00 0.00 72.50 72.91 2r1b s THR 186 CO -0.07 -0.63 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.12 2r1b s LEU 187 N -2.12 2.04 -0.15 4.79 2.96 -0.56 -2.10 118.68 123.54 2r1b s LEU 187 Ca -0.04 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.67 2r1b s LEU 187 Cb -0.03 -0.16 0.06 0.00 0.50 0.00 0.00 46.19 46.56 2r1b s LEU 187 CO -0.03 -0.00 0.36 -1.58 -1.32 0.00 0.00 176.35 173.78 2r1b s GLN 188 N -0.29 0.32 -0.17 1.98 0.74 -0.43 -0.92 119.66 120.88 2r1b s GLN 188 Ca -0.01 0.74 -0.05 0.00 0.05 0.00 0.00 55.36 56.09 2r1b s GLN 188 Cb -0.03 -0.02 -0.03 0.00 1.10 0.00 0.00 33.01 34.03 2r1b s GLN 188 CO -0.00 -0.18 0.01 0.08 -0.55 0.00 0.00 175.29 174.65 2r1b s VAL 189 N 1.56 4.36 0.00 1.34 1.01 -1.26 -1.59 120.40 125.81 2r1b s VAL 189 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2r1b s VAL 189 Cb -0.10 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.35 2r1b s VAL 189 CO -0.11 0.48 0.00 0.47 0.00 0.00 0.00 175.10 175.94 2r1b n ASP 190 N 3.47 0.00 -0.81 3.32 8.00 -0.13 -1.42 116.55 128.99 2r1b n ASP 190 Ca -0.17 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.41 2r1b n ASP 190 Cb 0.52 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.87 2r1b n ASP 190 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2r1b n SER 191 N 4.00 3.61 -4.72 -2.24 7.64 -1.26 -4.95 113.62 115.71 2r1b n SER 191 Ca 0.00 -3.08 -0.29 0.00 1.01 0.00 0.00 58.87 56.51 2r1b n SER 191 Cb 0.00 -0.54 0.15 0.00 -1.01 0.00 0.00 64.21 62.81 2r1b n SER 191 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2r1b s TRP 192 N -2.87 2.30 0.33 1.43 0.52 -0.51 -4.95 118.94 115.20 2r1b s TRP 192 Ca 0.41 1.13 -0.27 0.00 0.02 0.00 0.00 56.10 57.39 2r1b s TRP 192 Cb 0.34 -3.21 -0.13 0.00 -1.15 0.00 0.00 33.47 29.33 2r1b s TRP 192 CO 0.08 -2.50 1.11 -2.30 0.02 0.00 0.00 176.95 173.35 2r1b n PRO 193 N -3.93 1.63 -2.15 4.98 -0.02 -1.26 -4.66 135.00 129.58 2r1b n PRO 193 Ca 0.06 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 2r1b n PRO 193 Cb 0.56 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 2r1b n PRO 193 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2r1b s VAL 194 N -1.12 3.08 -0.29 -1.45 1.01 -1.26 -4.75 120.40 115.63 2r1b s VAL 194 Ca 0.58 0.87 -0.15 0.00 0.00 0.00 0.00 61.98 63.28 2r1b s VAL 194 Cb -0.62 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 2r1b s VAL 194 CO 0.60 0.12 0.37 -0.63 0.00 0.00 0.00 175.10 175.56 2r1b s ILE 195 N 0.27 5.17 -0.11 2.22 1.01 -0.10 -4.97 121.20 124.70 2r1b s ILE 195 Ca 0.59 0.46 -0.02 0.00 0.00 0.00 0.00 60.65 61.67 2r1b s ILE 195 Cb -0.38 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 2r1b s ILE 195 CO 0.38 0.10 -0.02 -1.61 0.00 0.00 0.00 174.94 173.79 2r1b s GLU 196 N 2.07 3.21 -0.17 2.79 2.02 -1.26 -1.50 118.70 125.85 2r1b s GLU 196 Ca 0.14 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.68 2r1b s GLU 196 Cb -0.16 -2.82 0.03 0.00 0.10 0.00 0.00 34.13 31.28 2r1b s GLU 196 CO 0.10 0.53 -0.12 0.50 0.02 0.00 0.00 175.26 176.30 2r1b s ARG 197 N -0.43 2.10 0.95 1.61 3.52 -0.30 -5.03 118.95 121.37 2r1b s ARG 197 Ca 0.07 -0.67 -0.12 0.00 -0.13 0.00 0.00 55.73 54.89 2r1b s ARG 197 Cb -0.12 -2.21 0.16 0.00 -1.56 0.00 0.00 34.95 31.22 2r1b s ARG 197 CO 0.02 -0.33 1.09 1.52 -0.81 0.00 0.00 175.30 176.79 2r1b s TYR 198 N 1.47 2.19 0.75 5.12 -0.85 -1.26 -1.83 117.35 122.93 2r1b s TYR 198 Ca 0.02 1.13 -0.16 0.00 -0.52 0.00 0.00 57.07 57.54 2r1b s TYR 198 Cb -0.14 -3.21 -0.02 0.00 0.38 0.00 0.00 41.96 38.97 2r1b s TYR 198 CO -0.09 -2.67 0.60 -2.30 -1.52 0.00 0.00 175.55 169.57 2r1b n PRO 216 N -4.05 0.27 0.00 -3.49 -0.02 -1.26 -4.88 135.00 121.57 2r1b n PRO 216 Ca 0.06 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2r1b n PRO 216 Cb 0.56 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 2r1b n PRO 216 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2r1b n TYR 217 N -2.55 0.00 0.08 6.00 4.02 -1.26 -0.45 117.16 123.00 2r1b n TYR 217 Ca 0.10 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.91 2r1b n TYR 217 Cb 0.50 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.78 2r1b n TYR 217 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2r1b h ARG 218 N 0.00 -0.36 -0.62 -0.72 2.43 -2.06 -2.30 114.38 110.74 2r1b h ARG 218 Ca 0.00 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2r1b h ARG 218 Cb 0.00 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2r1b h ARG 218 CO 0.00 -0.24 0.37 1.25 -1.51 0.00 0.00 179.97 179.84 2r1b h LEU 219 N -0.38 0.76 -0.96 3.80 5.85 -2.01 -1.55 115.31 120.82 2r1b h LEU 219 Ca -0.01 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.67 2r1b h LEU 219 Cb 0.36 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2r1b h LEU 219 CO -0.10 0.60 0.63 1.23 -0.34 0.00 0.00 178.44 180.46 2r1b h GLY 220 N 0.85 1.39 0.91 3.75 0.00 -0.77 -1.55 103.07 107.64 2r1b h GLY 220 Ca 0.22 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 2r1b h GLY 220 CO -0.04 0.42 0.10 0.07 0.00 0.00 0.00 176.54 177.09 2r1b h ARG 221 N 1.22 0.51 -0.48 4.80 -0.00 -0.71 -0.72 114.38 118.99 2r1b h ARG 221 Ca 0.38 -0.11 0.07 0.00 -0.00 0.00 0.00 59.98 60.32 2r1b h ARG 221 Cb -0.02 -0.07 -0.06 0.00 -0.00 0.00 0.00 29.97 29.82 2r1b h ARG 221 CO -0.12 0.54 0.13 0.28 -0.00 0.00 0.00 179.97 180.81 2r1b h VAL 222 N 0.37 0.78 -0.29 0.08 2.07 -0.96 -1.09 116.25 117.22 2r1b h VAL 222 Ca 0.10 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.43 2r1b h VAL 222 Cb 0.25 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2r1b h VAL 222 CO -0.00 0.05 -0.20 0.58 0.02 0.00 0.00 177.57 178.02 2r1b h VAL 223 N 0.28 1.30 -0.89 2.57 2.07 -1.20 -1.01 116.25 119.39 2r1b h VAL 223 Ca 0.23 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 2r1b h VAL 223 Cb 0.28 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2r1b h VAL 223 CO -0.27 0.42 0.54 0.44 0.02 0.00 0.00 177.57 178.72 2r1b h ASP 224 N 0.38 1.06 -0.41 0.57 3.32 -0.92 -1.06 116.42 119.36 2r1b h ASP 224 Ca 0.06 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 2r1b h ASP 224 Cb 0.74 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2r1b h ASP 224 CO 0.05 0.82 -0.19 -0.33 -1.72 0.00 0.00 179.24 177.87 2r1b h GLU 225 N 1.22 0.91 -0.70 3.56 4.39 -0.97 -1.47 114.58 121.52 2r1b h GLU 225 Ca 0.32 -0.36 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2r1b h GLU 225 Cb -0.05 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2r1b h GLU 225 CO -0.06 1.02 0.30 -1.49 -1.16 0.00 0.00 179.01 177.62 2r1b h TRP 226 N 0.79 1.04 -0.69 4.33 6.55 -0.70 -0.21 115.95 127.05 2r1b h TRP 226 Ca 0.11 -0.07 -0.03 0.00 0.95 0.00 0.00 58.89 59.85 2r1b h TRP 226 Cb 0.74 -0.31 -0.03 0.00 -0.86 0.00 0.00 29.16 28.69 2r1b h TRP 226 CO 0.04 0.79 0.32 -0.07 -1.05 0.00 0.00 178.44 178.47 2r1b h LEU 227 N 0.98 0.93 -0.65 -4.49 3.38 -0.97 -1.32 115.31 113.17 2r1b h LEU 227 Ca 0.23 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2r1b h LEU 227 Cb 0.17 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2r1b h LEU 227 CO -0.02 0.81 0.14 -0.07 0.09 0.00 0.00 178.44 179.39 2r1b h LEU 228 N 0.97 1.01 -0.89 1.67 3.38 -1.10 -2.08 115.31 118.27 2r1b h LEU 228 Ca 0.24 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2r1b h LEU 228 Cb 0.15 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2r1b h LEU 228 CO -0.03 0.99 0.56 -0.78 0.09 0.00 0.00 178.44 179.27 2r1b h ASP 229 N 0.98 1.06 -0.11 -0.43 3.58 -0.75 -0.61 116.42 120.13 2r1b h ASP 229 Ca 0.20 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 2r1b h ASP 229 Cb 0.39 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2r1b h ASP 229 CO 0.01 0.80 0.05 0.50 -2.88 0.00 0.00 179.24 177.72 2r1b h LYS 230 N 1.22 0.17 -0.14 0.28 3.64 -0.94 -2.88 116.57 117.92 2r1b h LYS 230 Ca 0.32 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2r1b h LYS 230 Cb -0.08 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2r1b h LYS 230 CO -0.06 0.24 -0.19 0.78 -2.27 0.00 0.00 179.45 177.95 2r1b h GLY 231 N 0.05 0.25 1.96 5.01 0.00 -1.13 -2.77 103.07 106.45 2r1b h GLY 231 Ca 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 2r1b h GLY 231 CO -0.00 0.16 -0.14 -0.09 0.00 0.00 0.00 176.54 176.47 2r1b h ARG 232 N 0.22 0.05 0.00 4.80 2.43 -0.92 -2.58 114.38 118.38 2r1b h ARG 232 Ca 0.04 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2r1b h ARG 232 Cb 0.47 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2r1b h ARG 232 CO 0.03 0.18 -0.01 1.96 -1.51 0.00 0.00 179.97 180.63 2r1b h GLN 233 N 0.04 0.00 0.00 0.20 1.08 -1.29 -1.62 115.11 113.53 2r1b h GLN 233 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2r1b h GLN 233 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2r1b h GLN 233 CO 0.02 0.01 0.00 1.28 -0.95 0.00 0.00 178.83 179.19 2r1b n LEU 234 N -3.75 0.26 -0.18 1.46 4.77 -0.97 -2.92 117.00 115.67 2r1b n LEU 234 Ca -0.03 0.56 0.08 0.00 -0.03 0.00 0.00 56.01 56.59 2r1b n LEU 234 Cb 0.09 -0.52 0.11 0.00 -2.33 0.00 0.00 43.42 40.77 2r1b n LEU 234 CO 0.27 -0.35 0.49 0.35 -1.33 0.00 0.00 177.39 176.82 2r1b n THR 235 N -1.78 1.47 -5.30 -5.08 -2.24 -0.62 -4.09 114.28 96.64 2r1b n THR 235 Ca 0.03 -1.77 -0.31 0.00 -2.27 0.00 0.00 64.05 59.73 2r1b n THR 235 Cb 0.20 -0.07 -0.16 0.00 -2.10 0.00 0.00 70.33 68.20 2r1b n THR 235 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2r1b s ILE 236 N -2.23 2.05 -0.69 2.28 1.01 -1.15 -4.24 121.20 118.23 2r1b s ILE 236 Ca 0.25 -1.10 -0.24 0.00 0.00 0.00 0.00 60.65 59.56 2r1b s ILE 236 Cb 0.22 -1.70 0.06 0.00 0.01 0.00 0.00 42.46 41.04 2r1b s ILE 236 CO 0.02 0.58 1.07 0.12 0.00 0.00 0.00 174.94 176.73 2r1b s PHE 237 N -0.53 2.54 0.15 3.97 2.19 -0.12 -4.77 117.98 121.41 2r1b s PHE 237 Ca 0.07 -0.37 -0.26 0.00 0.33 0.00 0.00 56.93 56.70 2r1b s PHE 237 Cb -0.11 -4.41 -0.08 0.00 -1.31 0.00 0.00 43.02 37.12 2r1b s PHE 237 CO -0.00 -1.79 0.80 -0.80 1.83 0.00 0.00 175.22 175.25 2r1b s ASN 238 N 3.69 7.39 -1.18 6.13 -0.87 -1.26 -2.00 114.94 126.83 2r1b s ASN 238 Ca 0.27 1.65 -0.05 0.00 -1.57 0.00 0.00 52.86 53.15 2r1b s ASN 238 Cb -0.14 -2.51 -0.02 0.00 -0.02 0.00 0.00 41.25 38.56 2r1b s ASN 238 CO 0.12 0.16 0.86 -1.20 -2.57 0.00 0.00 177.10 174.47 2r1b n SER 239 N 1.86 -3.62 -4.69 -1.22 7.64 -1.05 -4.62 113.62 107.91 2r1b n SER 239 Ca -0.04 -0.76 -0.42 0.00 1.01 0.00 0.00 58.87 58.65 2r1b n SER 239 Cb 0.49 -4.59 -0.03 0.00 -1.01 0.00 0.00 64.21 59.07 2r1b n SER 239 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2r1b s GLN 240 N -5.34 4.22 -0.06 1.43 -0.21 -0.33 -1.28 119.66 118.10 2r1b s GLN 240 Ca 0.21 2.25 0.02 0.00 0.02 0.00 0.00 55.36 57.86 2r1b s GLN 240 Cb -0.04 -3.51 -0.05 0.00 1.00 0.00 0.00 33.01 30.41 2r1b s GLN 240 CO 0.78 -0.67 -0.03 0.00 -2.12 0.00 0.00 175.29 173.25 2r1b n ALA 241 N 5.22 1.87 -3.11 6.09 0.00 -0.29 -3.90 120.51 126.39 2r1b n ALA 241 Ca 0.15 -0.30 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 2r1b n ALA 241 Cb 0.41 0.28 -0.10 0.00 0.00 0.00 0.00 19.45 20.04 2r1b n ALA 241 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2r1b s THR 242 N -2.13 0.08 -0.19 0.00 -4.23 -1.13 -2.53 115.64 105.50 2r1b s THR 242 Ca -0.07 -0.62 -0.00 0.00 -1.18 0.00 0.00 61.69 59.82 2r1b s THR 242 Cb 0.02 -0.43 0.01 0.00 1.34 0.00 0.00 72.50 73.44 2r1b s THR 242 CO 0.17 -0.34 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.13 2r1b s ILE 243 N -1.26 2.45 -0.12 2.99 1.01 -0.44 -2.03 121.20 123.79 2r1b s ILE 243 Ca -0.13 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.73 2r1b s ILE 243 Cb -0.07 -2.06 -0.00 0.00 0.01 0.00 0.00 42.46 40.34 2r1b s ILE 243 CO 0.02 0.50 -0.20 -0.63 0.00 0.00 0.00 174.94 174.62 2r1b s ILE 244 N 1.34 2.32 -0.13 2.92 1.01 0.11 -1.04 121.20 127.74 2r1b s ILE 244 Ca 0.05 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.81 2r1b s ILE 244 Cb -0.13 -1.93 -0.00 0.00 0.01 0.00 0.00 42.46 40.41 2r1b s ILE 244 CO -0.10 0.54 -0.20 -0.63 0.00 0.00 0.00 174.94 174.56 2r1b s ILE 245 N 0.54 2.37 0.00 2.92 1.01 -0.35 -1.14 121.20 126.55 2r1b s ILE 245 Ca -0.13 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.63 2r1b s ILE 245 Cb -0.17 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.35 2r1b s ILE 245 CO 0.04 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.13 2r1b n GLY 246 N 3.81 1.39 3.28 6.18 0.00 -0.50 -1.96 105.19 117.39 2r1b n GLY 246 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2r1b n GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r1b n GLY 247 N 0.00 0.36 0.28 -0.02 0.00 -1.10 -0.76 105.19 103.96 2r1b n GLY 247 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2r1b n GLY 247 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2r1b h LYS 248 N 1.03 0.96 0.00 1.61 3.64 -1.80 -2.21 116.57 119.79 2r1b h LYS 248 Ca 0.00 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2r1b h LYS 248 Cb 0.17 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2r1b h LYS 248 CO 0.00 1.04 0.00 1.49 -2.27 0.00 0.00 179.45 179.71 2r1b h GLU 249 N 0.82 0.00 -0.14 1.90 4.81 -1.92 -0.98 114.58 119.06 2r1b h GLU 249 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2r1b h GLU 249 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2r1b h GLU 249 CO 0.05 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.37 2r1b n GLN 250 N -3.00 1.98 -1.03 1.92 3.00 -0.91 -4.96 117.38 114.38 2r1b n GLN 250 Ca 0.01 -1.45 -0.01 0.00 -0.01 0.00 0.00 57.00 55.53 2r1b n GLN 250 Cb 0.29 -1.45 -0.00 0.00 0.00 0.00 0.00 30.24 29.07 2r1b n GLN 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2r1b n GLY 251 N 1.26 0.49 2.28 1.08 0.00 -0.37 -4.96 105.19 104.97 2r1b n GLY 251 Ca 0.17 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 2r1b n GLY 251 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2r1b n GLN 252 N -2.50 1.25 -1.74 1.61 6.02 -0.88 -5.04 117.38 116.10 2r1b n GLN 252 Ca -0.01 -3.61 -0.42 0.00 -0.01 0.00 0.00 57.00 52.95 2r1b n GLN 252 Cb 0.10 -1.59 -0.02 0.00 1.02 0.00 0.00 30.24 29.75 2r1b n GLN 252 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2r1b n PRO 253 N 0.86 2.65 -2.76 -1.09 -0.04 -1.23 -1.10 135.00 132.30 2r1b n PRO 253 Ca 0.24 0.94 -0.40 0.00 -0.04 0.00 0.00 63.50 64.25 2r1b n PRO 253 Cb 0.54 -2.72 -0.06 0.00 -0.04 0.00 0.00 33.50 31.22 2r1b n PRO 253 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2r1b s PHE 254 N 0.03 3.95 -0.10 0.54 5.36 0.06 -4.76 117.98 123.06 2r1b s PHE 254 Ca 0.65 1.90 -0.01 0.00 -0.96 0.00 0.00 56.93 58.50 2r1b s PHE 254 Cb -0.51 -2.97 0.03 0.00 -0.34 0.00 0.00 43.02 39.23 2r1b s PHE 254 CO 0.48 0.43 -0.01 -0.65 -1.46 0.00 0.00 175.22 174.01 2r1b s GLN 255 N -1.29 0.83 0.00 10.12 -0.21 -1.26 -4.70 119.66 123.15 2r1b s GLN 255 Ca 0.42 -0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.74 2r1b s GLN 255 Cb -0.25 -1.30 0.00 0.00 1.00 0.00 0.00 33.01 32.46 2r1b s GLN 255 CO 0.31 -0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.54 2r1b n GLY 256 N 5.08 -0.00 3.34 3.09 0.00 -0.74 -4.54 105.19 111.43 2r1b n GLY 256 Ca -0.09 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 2r1b n GLY 256 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2r1b s GLN 257 N -2.00 2.12 0.01 1.61 0.74 -0.82 -0.96 119.66 120.37 2r1b s GLN 257 Ca 0.00 -0.92 0.05 0.00 0.05 0.00 0.00 55.36 54.54 2r1b s GLN 257 Cb 0.00 -2.09 -0.02 0.00 1.10 0.00 0.00 33.01 32.01 2r1b s GLN 257 CO 0.00 0.56 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.63 2r1b s LEU 258 N -0.75 2.09 0.15 3.68 1.43 -0.70 -1.91 118.68 122.67 2r1b s LEU 258 Ca 0.11 -0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 2r1b s LEU 258 Cb -0.10 -0.81 0.00 0.00 0.03 0.00 0.00 46.19 45.31 2r1b s LEU 258 CO -0.00 0.16 0.30 -0.94 0.23 0.00 0.00 176.35 176.09 2r1b s SER 259 N -0.68 0.00 -1.73 2.29 1.04 -0.49 -1.77 113.70 112.36 2r1b s SER 259 Ca 0.05 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.74 2r1b s SER 259 Cb -0.07 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2r1b s SER 259 CO 0.00 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.96 2r1b n GLY 260 N -0.20 0.94 3.73 7.32 0.00 -1.19 -1.19 105.19 114.60 2r1b n GLY 260 Ca -0.10 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2r1b n GLY 260 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2r1b s LEU 261 N -4.40 4.37 -0.02 0.99 2.96 -1.26 -4.52 118.68 116.79 2r1b s LEU 261 Ca 0.00 2.78 0.00 0.00 -0.22 0.00 0.00 54.13 56.69 2r1b s LEU 261 Cb 0.00 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 43.10 2r1b s LEU 261 CO 0.00 -0.86 0.02 -0.47 -1.32 0.00 0.00 176.35 173.72 2r1b s TYR 262 N 0.55 0.15 -0.18 5.38 5.04 -0.67 -3.01 117.35 124.62 2r1b s TYR 262 Ca 0.67 0.07 -0.05 0.00 -2.44 0.00 0.00 57.07 55.32 2r1b s TYR 262 Cb -0.46 -0.31 0.06 0.00 0.35 0.00 0.00 41.96 41.61 2r1b s TYR 262 CO 0.39 -0.10 0.10 -0.47 -1.34 0.00 0.00 175.55 174.13 2r1b s TYR 263 N 1.03 0.16 -1.36 4.97 5.04 -0.72 -1.74 117.35 124.74 2r1b s TYR 263 Ca -0.09 -0.30 -0.14 0.00 -2.44 0.00 0.00 57.07 54.09 2r1b s TYR 263 Cb -0.13 -0.68 0.01 0.00 0.35 0.00 0.00 41.96 41.52 2r1b s TYR 263 CO -0.02 -0.53 0.42 0.09 -1.34 0.00 0.00 175.55 174.16 2r1b n ASN 264 N 5.28 -1.81 0.00 4.32 3.02 -0.76 -1.46 115.26 123.86 2r1b n ASN 264 Ca -0.07 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 2r1b n ASN 264 Cb 0.49 -2.16 0.00 0.00 -0.61 0.00 0.00 39.78 37.50 2r1b n ASN 264 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2r1b n GLY 265 N -2.18 1.37 3.49 7.41 0.00 -1.26 -5.05 105.19 108.97 2r1b n GLY 265 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2r1b n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2r1b s LEU 266 N 0.00 3.60 -0.94 0.99 1.43 -0.53 -5.04 118.68 118.18 2r1b s LEU 266 Ca 0.00 -0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 52.79 2r1b s LEU 266 Cb 0.00 -1.97 0.15 0.00 0.03 0.00 0.00 46.19 44.40 2r1b s LEU 266 CO 0.00 -0.02 1.11 -0.54 0.23 0.00 0.00 176.35 177.13 2r1b s LYS 267 N 1.52 3.65 0.21 1.70 1.02 -1.26 -1.75 119.74 124.83 2r1b s LYS 267 Ca 0.06 -1.93 -0.07 0.00 0.02 0.00 0.00 55.97 54.06 2r1b s LYS 267 Cb -0.15 -4.87 0.16 0.00 -0.52 0.00 0.00 37.83 32.45 2r1b s LYS 267 CO 0.05 -1.71 1.70 0.28 -0.92 0.00 0.00 175.35 174.75 2r1b h VAL 268 N 5.59 1.26 -0.37 3.17 2.07 -1.93 -1.42 116.25 124.62 2r1b h VAL 268 Ca 0.17 -1.07 -0.12 0.00 0.82 0.00 0.00 66.70 66.50 2r1b h VAL 268 Cb 1.01 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2r1b h VAL 268 CO 1.08 0.39 -0.25 -0.07 0.02 0.00 0.00 177.57 178.73 2r1b h LEU 269 N 0.94 0.78 -0.94 2.57 3.38 -1.91 -1.48 115.31 118.65 2r1b h LEU 269 Ca 0.18 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2r1b h LEU 269 Cb 0.48 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2r1b h LEU 269 CO 0.02 0.99 0.46 -1.13 0.09 0.00 0.00 178.44 178.88 2r1b h ASN 270 N 0.65 1.09 -0.65 -0.43 -0.73 -1.79 -1.70 115.58 112.02 2r1b h ASN 270 Ca 0.08 -0.10 -0.07 0.00 1.87 0.00 0.00 56.30 58.08 2r1b h ASN 270 Cb 0.77 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 39.06 2r1b h ASN 270 CO 0.06 0.88 0.13 0.24 -0.37 0.00 0.00 177.43 178.37 2r1b h MET 271 N 1.21 1.07 -0.26 6.67 2.86 -0.92 -2.15 114.93 123.41 2r1b h MET 271 Ca 0.30 -0.27 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2r1b h MET 271 Cb 0.05 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 2r1b h MET 271 CO -0.05 0.97 0.09 0.00 1.06 0.00 0.00 176.91 178.98 2r1b h ALA 272 N 1.05 0.29 0.00 6.32 0.00 -1.02 -1.97 119.26 123.94 2r1b h ALA 272 Ca 0.20 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2r1b h ALA 272 Cb 0.40 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2r1b h ALA 272 CO 0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 179.25 178.79 2r1b h ALA 273 N 1.17 1.42 -0.40 0.00 0.00 -1.06 -2.41 119.26 117.98 2r1b h ALA 273 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2r1b h ALA 273 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2r1b h ALA 273 CO -0.12 0.18 0.00 0.39 0.00 0.00 0.00 179.25 179.69 2r1b n GLU 274 N -3.87 2.26 -3.68 0.00 1.02 -0.83 -4.94 120.64 110.59 2r1b n GLU 274 Ca -0.02 -1.58 -0.23 0.00 -0.02 0.00 0.00 57.16 55.31 2r1b n GLU 274 Cb 0.24 -1.47 0.05 0.00 -0.02 0.00 0.00 31.44 30.24 2r1b n GLU 274 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2r1b n ASN 275 N 0.65 -2.94 -4.67 1.62 5.03 -0.91 -4.93 115.26 109.11 2r1b n ASN 275 Ca 0.14 -0.73 -0.44 0.00 0.87 0.00 0.00 54.58 54.43 2r1b n ASN 275 Cb 0.45 -4.38 -0.02 0.00 -1.02 0.00 0.00 39.78 34.82 2r1b n ASN 275 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2r1b n ASP 276 N -3.02 2.61 -0.05 6.41 -0.08 -0.78 -4.88 116.55 116.77 2r1b n ASP 276 Ca -0.17 1.17 0.15 0.00 -1.51 0.00 0.00 54.79 54.42 2r1b n ASP 276 Cb 0.62 -1.43 0.57 0.00 2.34 0.00 0.00 41.12 43.22 2r1b n ASP 276 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2r1b h ALA 277 N 3.37 2.18 -0.51 -1.67 0.00 -1.91 -2.76 119.26 117.97 2r1b h ALA 277 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2r1b h ALA 277 Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2r1b h ALA 277 CO 0.69 -0.33 0.00 0.09 0.00 0.00 0.00 179.25 179.71 2r1b n ASN 278 N -4.45 3.62 -4.53 0.00 5.03 -1.26 -4.91 115.26 108.76 2r1b n ASN 278 Ca 0.10 -2.28 -0.33 0.00 0.87 0.00 0.00 54.58 52.93 2r1b n ASN 278 Cb 0.45 -0.48 -0.12 0.00 -1.02 0.00 0.00 39.78 38.61 2r1b n ASN 278 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2r1b s ILE 279 N -1.69 3.39 -0.06 2.41 -1.09 -1.04 -1.42 121.20 121.71 2r1b s ILE 279 Ca 0.39 -0.61 0.03 0.00 -2.23 0.00 0.00 60.65 58.22 2r1b s ILE 279 Cb 0.24 -2.37 0.01 0.00 -1.58 0.00 0.00 42.46 38.76 2r1b s ILE 279 CO 0.20 0.58 -0.14 0.00 -1.23 0.00 0.00 174.94 174.35 2r1b s ALA 280 N -0.79 1.37 -0.11 9.38 0.00 -0.55 -4.92 121.76 126.14 2r1b s ALA 280 Ca 0.12 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.57 2r1b s ALA 280 Cb -0.11 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.47 2r1b s ALA 280 CO 0.01 0.18 -0.20 0.42 0.00 0.00 0.00 175.76 176.17 2r1b s ILE 281 N 0.38 2.37 0.04 0.00 1.01 -1.26 -1.04 121.20 122.71 2r1b s ILE 281 Ca -0.10 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.66 2r1b s ILE 281 Cb -0.14 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 2r1b s ILE 281 CO 0.03 0.55 -0.07 0.68 0.00 0.00 0.00 174.94 176.13 2r1b s VAL 282 N 0.37 0.46 0.00 2.92 -7.23 -0.72 -5.04 120.40 111.16 2r1b s VAL 282 Ca -0.16 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 2r1b s VAL 282 Cb -0.17 -0.65 0.00 0.00 0.56 0.00 0.00 36.38 36.12 2r1b s VAL 282 CO 0.08 -0.46 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 2r1b n GLY 283 N 1.33 -1.64 3.01 2.32 0.00 -1.26 -0.80 105.19 108.14 2r1b n GLY 283 Ca -0.22 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 2r1b n GLY 283 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2r1b n ASN 284 N 0.02 5.14 -3.97 1.61 2.85 -0.38 -4.88 115.26 115.66 2r1b n ASN 284 Ca 0.00 -3.08 -0.21 0.00 -0.11 0.00 0.00 54.58 51.18 2r1b n ASN 284 Cb 0.00 -1.50 -0.16 0.00 1.24 0.00 0.00 39.78 39.36 2r1b n ASN 284 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2r1b s VAL 285 N 0.62 0.75 -0.02 3.44 0.11 -1.26 -1.61 120.40 122.43 2r1b s VAL 285 Ca 0.40 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 2r1b s VAL 285 Cb 0.07 -0.70 0.01 0.00 -1.53 0.00 0.00 36.38 34.23 2r1b s VAL 285 CO 0.01 0.26 -0.02 -0.13 -3.33 0.00 0.00 175.10 171.88 2r1b s ARG 286 N 0.53 0.30 -0.12 1.54 0.52 -0.60 -4.99 118.95 116.13 2r1b s ARG 286 Ca -0.09 -0.02 -0.27 0.00 -0.52 0.00 0.00 55.73 54.84 2r1b s ARG 286 Cb -0.12 -0.38 -0.02 0.00 0.52 0.00 0.00 34.95 34.95 2r1b s ARG 286 CO 0.01 -0.04 0.88 -1.17 0.02 0.00 0.00 175.30 175.01 2r1b s LEU 287 N 0.50 4.23 0.07 2.53 2.96 -1.26 -1.18 118.68 126.52 2r1b s LEU 287 Ca -0.05 1.33 -0.30 0.00 -0.22 0.00 0.00 54.13 54.89 2r1b s LEU 287 Cb -0.08 -3.35 -0.06 0.00 0.50 0.00 0.00 46.19 43.21 2r1b s LEU 287 CO -0.01 -0.37 1.14 -0.69 -1.32 0.00 0.00 176.35 175.10 2r1b s VAL 288 N 1.86 4.15 0.63 1.68 1.01 -0.55 -4.98 120.40 124.20 2r1b s VAL 288 Ca 0.42 1.59 -0.11 0.00 0.00 0.00 0.00 61.98 63.89 2r1b s VAL 288 Cb -0.18 -4.02 0.16 0.00 0.00 0.00 0.00 36.38 32.34 2r1b s VAL 288 CO 0.16 0.15 0.55 0.61 0.00 0.00 0.00 175.10 176.57 2r1b n GLY 289 N 2.93 -2.66 3.83 4.51 0.00 -1.26 -4.73 105.19 107.80 2r1b n GLY 289 Ca 0.07 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 2r1b n GLY 289 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r1b s GLU 290 N -4.25 4.14 0.52 1.61 0.41 -1.26 -5.06 118.70 114.82 2r1b s GLU 290 Ca 0.36 0.73 -0.22 0.00 -0.41 0.00 0.00 54.97 55.42 2r1b s GLU 290 Cb -0.04 -2.86 -0.06 0.00 -1.78 0.00 0.00 34.13 29.39 2r1b s GLU 290 CO 0.28 0.41 1.33 0.14 -0.49 0.00 0.00 175.26 176.92 2r1b s VAL 291 N -1.54 2.24 0.00 2.63 -7.23 -1.26 -5.31 120.40 109.93 2r1b s VAL 291 Ca 0.42 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 2r1b s VAL 291 Cb -0.16 -3.09 0.00 0.00 0.56 0.00 0.00 36.38 33.69 2r1b s VAL 291 CO 0.20 0.00 0.00 -2.65 -0.31 0.00 0.00 175.10 172.34