#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1r s GLU 2 N 0.00 3.21 -0.25 0.03 0.41 -1.26 0.28 118.70 121.13 2a1r s GLU 2 Ca 0.00 -0.61 -0.04 0.00 -0.41 0.00 0.00 54.97 53.91 2a1r s GLU 2 Cb 0.00 -4.06 0.00 0.00 -1.78 0.00 0.00 34.13 28.29 2a1r s GLU 2 CO 0.00 -1.28 -0.01 0.42 -0.49 0.00 0.00 175.26 173.90 2a1r s ILE 3 N 3.09 3.44 0.13 -1.63 1.01 0.31 -4.99 121.20 122.57 2a1r s ILE 3 Ca 0.21 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.22 2a1r s ILE 3 Cb -0.16 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.65 2a1r s ILE 3 CO 0.15 0.29 0.00 2.30 0.00 0.00 0.00 174.94 177.69 2a1r n ILE 4 N 4.79 0.00 -0.07 2.92 -5.35 -1.26 -1.76 119.36 118.63 2a1r n ILE 4 Ca -0.17 -0.61 -0.11 0.00 -0.27 0.00 0.00 62.75 61.59 2a1r n ILE 4 Cb 0.49 0.10 -0.04 0.00 -1.74 0.00 0.00 39.64 38.45 2a1r n ILE 4 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2a1r h ARG 5 N 0.00 0.38 0.00 6.28 2.43 -1.14 -0.73 114.38 121.60 2a1r h ARG 5 Ca -0.11 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2a1r h ARG 5 Cb 0.33 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2a1r h ARG 5 CO 0.18 0.50 -0.02 0.66 -1.51 0.00 0.00 179.97 179.78 2a1r h SER 6 N 0.19 0.00 -0.00 -3.80 4.64 -1.93 -3.06 113.55 109.59 2a1r h SER 6 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2a1r h SER 6 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2a1r h SER 6 CO 0.00 0.02 -0.31 -3.20 -0.87 0.00 0.00 176.83 172.47 2a1r n ASN 7 N -3.36 0.76 -0.07 4.97 4.05 -1.03 -4.71 115.26 115.87 2a1r n ASN 7 Ca -0.02 -0.88 -0.13 0.00 0.45 0.00 0.00 54.58 54.00 2a1r n ASN 7 Cb 0.13 0.76 -0.06 0.00 1.23 0.00 0.00 39.78 41.84 2a1r n ASN 7 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 177.26 174.36 2a1r h PHE 8 N 0.47 0.59 -0.34 1.20 3.57 -1.03 -2.99 116.94 118.41 2a1r h PHE 8 Ca 0.00 -0.18 -0.11 0.00 3.53 0.00 0.00 57.97 61.22 2a1r h PHE 8 Cb 0.26 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2a1r h PHE 8 CO 0.00 0.84 -0.24 -0.22 -2.23 0.00 0.00 178.31 176.47 2a1r h LYS 9 N 0.17 0.67 0.00 1.11 3.64 -1.84 -2.16 116.57 118.15 2a1r h LYS 9 Ca 0.03 -0.26 -0.20 0.00 -1.27 0.00 0.00 60.65 58.95 2a1r h LYS 9 Cb 0.74 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 2a1r h LYS 9 CO 0.05 0.84 -0.93 0.66 -2.27 0.00 0.00 179.45 177.80 2a1r h SER 10 N 0.58 0.00 0.34 4.20 4.64 -1.88 -3.23 113.55 118.20 2a1r h SER 10 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2a1r h SER 10 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2a1r h SER 10 CO 0.05 0.93 -0.18 0.59 -0.87 0.00 0.00 176.83 177.35 2a1r n ASN 11 N -3.40 0.68 0.31 4.97 3.02 -1.12 -4.28 115.26 115.44 2a1r n ASN 11 Ca -0.00 -0.65 0.20 0.00 -0.03 0.00 0.00 54.58 54.09 2a1r n ASN 11 Cb 0.89 0.01 0.98 0.00 -0.61 0.00 0.00 39.78 41.06 2a1r n ASN 11 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2a1r h LEU 12 N 0.78 0.00 0.14 3.41 5.85 -1.41 -2.52 115.31 121.56 2a1r h LEU 12 Ca 0.00 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.44 2a1r h LEU 12 Cb 0.43 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.46 2a1r h LEU 12 CO 0.00 0.02 -1.28 1.12 -0.34 0.00 0.00 178.44 177.96 2a1r h HIS 13 N 0.00 0.53 -0.41 1.25 2.07 -1.82 -2.61 115.15 114.17 2a1r h HIS 13 Ca -0.00 -0.38 -0.02 0.00 -2.85 0.00 0.00 60.37 57.12 2a1r h HIS 13 Cb 0.20 -0.02 -0.02 0.00 2.57 0.00 0.00 27.41 30.14 2a1r h HIS 13 CO 0.00 1.31 0.17 0.87 -3.07 0.00 0.00 177.93 177.20 2a1r h LYS 14 N 0.08 0.57 -0.07 5.12 1.57 -1.75 -2.04 116.57 120.06 2a1r h LYS 14 Ca -0.15 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 2a1r h LYS 14 Cb 1.99 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.19 2a1r h LYS 14 CO 0.21 0.47 -0.18 0.28 -0.57 0.00 0.00 179.45 179.66 2a1r h VAL 15 N 0.57 1.43 -0.22 0.50 2.07 -1.53 -2.30 116.25 116.77 2a1r h VAL 15 Ca 0.14 -1.54 0.02 0.00 0.82 0.00 0.00 66.70 66.15 2a1r h VAL 15 Cb 0.11 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 2a1r h VAL 15 CO -0.02 0.43 0.07 1.88 0.02 0.00 0.00 177.57 179.96 2a1r h TYR 16 N -0.27 0.13 -0.73 1.57 0.99 -1.36 -1.49 116.97 115.82 2a1r h TYR 16 Ca -0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 2a1r h TYR 16 Cb 0.79 -0.03 -0.04 0.00 1.00 0.00 0.00 36.73 38.45 2a1r h TYR 16 CO 0.12 0.06 0.47 0.37 -0.00 0.00 0.00 178.16 179.18 2a1r h GLN 17 N 0.18 0.98 -0.26 4.88 4.15 -1.43 0.44 115.11 124.04 2a1r h GLN 17 Ca 0.10 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 2a1r h GLN 17 Cb 0.07 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 2a1r h GLN 17 CO -0.10 0.67 -0.15 0.00 -1.93 0.00 0.00 178.83 177.32 2a1r h ALA 18 N 1.25 1.26 -0.13 3.38 0.00 -1.21 0.07 119.26 123.88 2a1r h ALA 18 Ca 0.27 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 2a1r h ALA 18 Cb -0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2a1r h ALA 18 CO -0.05 0.49 -0.67 0.82 0.00 0.00 0.00 179.25 179.83 2a1r h ILE 19 N 0.42 1.34 0.01 0.00 2.04 -0.86 -3.13 117.51 117.33 2a1r h ILE 19 Ca 0.08 -1.99 -0.21 0.00 1.00 0.00 0.00 64.86 63.73 2a1r h ILE 19 Cb 0.51 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 2a1r h ILE 19 CO 0.03 0.61 -0.93 -0.08 0.00 0.00 0.00 178.15 177.78 2a1r h GLU 20 N 0.37 0.23 -0.01 2.37 4.81 -0.43 -3.25 114.58 118.66 2a1r h GLU 20 Ca -0.02 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2a1r h GLU 20 Cb 1.24 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2a1r h GLU 20 CO 0.12 1.01 -0.01 0.39 -0.73 0.00 0.00 179.01 179.79 2a1r n GLU 21 N -3.65 1.64 -2.64 1.92 1.02 -0.03 -4.97 120.64 113.93 2a1r n GLU 21 Ca -0.04 -0.94 -0.29 0.00 -0.02 0.00 0.00 57.16 55.87 2a1r n GLU 21 Cb 0.84 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.77 2a1r n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2a1r s ALA 22 N -2.01 3.36 -0.09 0.62 0.00 -1.18 -4.74 121.76 117.71 2a1r s ALA 22 Ca 0.38 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.97 2a1r s ALA 22 Cb 0.21 -2.66 -0.25 0.00 0.00 0.00 0.00 23.12 20.42 2a1r s ALA 22 CO 0.34 -0.28 0.46 -0.25 0.00 0.00 0.00 175.76 176.04 2a1r n ASP 23 N -2.01 1.62 -3.64 0.00 8.00 0.06 -4.97 116.55 115.61 2a1r n ASP 23 Ca 0.02 0.28 -0.08 0.00 0.71 0.00 0.00 54.79 55.71 2a1r n ASP 23 Cb 0.55 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 2a1r n ASP 23 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2a1r s PHE 24 N -2.57 -0.33 0.24 1.24 -0.12 -1.19 -4.33 117.98 110.92 2a1r s PHE 24 Ca -0.16 0.02 0.11 0.00 -0.05 0.00 0.00 56.93 56.85 2a1r s PHE 24 Cb 0.07 0.62 -0.05 0.00 -0.63 0.00 0.00 43.02 43.04 2a1r s PHE 24 CO 0.79 -0.95 -0.19 -0.06 -0.05 0.00 0.00 175.22 174.75 2a1r s PHE 25 N -3.66 2.14 0.07 3.49 0.40 -0.14 -2.16 117.98 118.12 2a1r s PHE 25 Ca 0.07 -0.39 0.10 0.00 -0.60 0.00 0.00 56.93 56.10 2a1r s PHE 25 Cb -0.03 -0.97 -0.03 0.00 0.51 0.00 0.00 43.02 42.50 2a1r s PHE 25 CO -0.03 0.58 -0.26 0.00 0.70 0.00 0.00 175.22 176.21 2a1r s ALA 26 N -2.41 2.21 0.16 5.36 0.00 0.32 -0.36 121.76 127.05 2a1r s ALA 26 Ca 0.26 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.93 2a1r s ALA 26 Cb -0.05 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 2a1r s ALA 26 CO 0.12 0.51 -0.01 0.96 0.00 0.00 0.00 175.76 177.33 2a1r s ILE 27 N -0.90 0.70 -0.07 0.00 -4.36 0.03 -0.97 121.20 115.63 2a1r s ILE 27 Ca 0.12 -1.98 -0.30 0.00 -0.26 0.00 0.00 60.65 58.23 2a1r s ILE 27 Cb -0.10 -2.04 0.10 0.00 1.25 0.00 0.00 42.46 41.66 2a1r s ILE 27 CO 0.03 -0.55 0.82 -0.62 0.24 0.00 0.00 174.94 174.86 2a1r s ASP 28 N -3.15 -0.51 0.10 4.36 2.15 -0.87 -4.49 116.67 114.26 2a1r s ASP 28 Ca 0.22 0.44 0.05 0.00 0.43 0.00 0.00 52.55 53.70 2a1r s ASP 28 Cb 0.06 0.44 -0.03 0.00 -0.30 0.00 0.00 42.92 43.08 2a1r s ASP 28 CO 0.02 -0.55 -0.14 -0.83 -0.17 0.00 0.00 175.17 173.51 2a1r s GLY 29 N -1.47 0.97 -0.10 2.66 0.00 -1.26 -0.40 107.32 107.72 2a1r s GLY 29 Ca -0.04 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 2a1r s GLY 29 CO 0.02 -1.20 -0.04 -0.54 0.00 0.00 0.00 173.10 171.34 2a1r s GLU 30 N -2.27 3.15 0.24 2.90 0.41 -0.23 -4.90 118.70 118.00 2a1r s GLU 30 Ca 0.04 -0.51 0.09 0.00 -0.41 0.00 0.00 54.97 54.18 2a1r s GLU 30 Cb -0.07 -2.75 -0.04 0.00 -1.78 0.00 0.00 34.13 29.49 2a1r s GLU 30 CO 0.02 0.51 -0.02 -0.06 -0.49 0.00 0.00 175.26 175.22 2a1r s PHE 31 N -0.37 2.71 -0.88 1.61 2.99 -1.26 -1.64 117.98 121.14 2a1r s PHE 31 Ca 0.06 -0.21 0.18 0.00 0.00 0.00 0.00 56.93 56.96 2a1r s PHE 31 Cb -0.12 -1.24 0.76 0.00 0.00 0.00 0.00 43.02 42.41 2a1r s PHE 31 CO 0.02 0.58 1.57 -1.13 -0.00 0.00 0.00 175.22 176.26 2a1r n SER 32 N -0.61 0.16 0.00 1.36 3.41 0.91 -4.91 113.62 113.95 2a1r n SER 32 Ca -0.08 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 2a1r n SER 32 Cb 0.58 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2a1r n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2a1r n GLY 33 N 0.17 -1.41 0.00 5.00 0.00 -1.26 -0.16 105.19 107.53 2a1r n GLY 33 Ca 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2a1r n GLY 33 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2a1r n ILE 34 N 2.33 0.00 0.00 -0.61 3.06 -1.26 -4.83 119.36 118.05 2a1r n ILE 34 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2a1r n ILE 34 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 2a1r n ILE 34 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 2a1r n SER 35 N -1.18 0.00 0.00 9.51 3.41 -1.26 -4.42 113.62 119.67 2a1r n SER 35 Ca 0.00 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 2a1r n SER 35 Cb 0.00 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2a1r n SER 35 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2a1r n ASP 36 N -1.07 0.00 0.12 4.04 2.03 -1.24 -4.35 116.55 116.08 2a1r n ASP 36 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2a1r n ASP 36 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2a1r n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a1r n GLY 37 N 0.00 -1.63 3.24 0.27 0.00 -1.26 -5.14 105.19 100.67 2a1r n GLY 37 Ca 0.00 0.35 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 2a1r n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2a1r n PRO 38 N -3.01 -3.07 0.00 1.61 -0.04 -1.26 -5.07 135.00 124.16 2a1r n PRO 38 Ca 0.00 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 2a1r n PRO 38 Cb 0.00 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 2a1r n PRO 38 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2a1r n SER 39 N -3.74 0.00 0.00 3.54 3.41 -1.26 -4.85 113.62 110.72 2a1r n SER 39 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2a1r n SER 39 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2a1r n SER 39 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2a1r n VAL 40 N 0.00 0.00 -0.38 -3.33 0.31 -1.26 -4.94 118.33 108.73 2a1r n VAL 40 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2a1r n VAL 40 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2a1r n VAL 40 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2a1r n PRO 50 N 0.00 0.00 0.08 5.55 -0.02 -1.26 -5.31 135.00 134.04 2a1r n PRO 50 Ca 0.00 0.18 0.02 0.00 -2.02 0.00 0.00 63.50 61.68 2a1r n PRO 50 Cb 0.00 -0.20 -0.03 0.00 -0.02 0.00 0.00 33.50 33.24 2a1r n PRO 50 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2a1r h GLU 51 N 0.00 0.00 -2.58 -0.52 4.57 -2.08 -3.41 114.58 110.56 2a1r h GLU 51 Ca 0.00 0.00 -0.76 0.00 -1.18 0.00 0.00 59.36 57.42 2a1r h GLU 51 Cb 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 28.43 2a1r h GLU 51 CO 0.00 0.35 2.10 0.39 -1.18 0.00 0.00 179.01 180.66 2a1r n GLU 52 N -3.00 4.74 0.19 1.92 -0.58 -1.26 -4.40 120.64 118.25 2a1r n GLU 52 Ca -0.04 -3.73 0.05 0.00 -0.42 0.00 0.00 57.16 53.02 2a1r n GLU 52 Cb 0.78 -2.61 0.37 0.00 -0.57 0.00 0.00 31.44 29.41 2a1r n GLU 52 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2a1r h ARG 53 N 4.58 0.00 -0.54 3.49 3.08 -2.01 -3.20 114.38 119.78 2a1r h ARG 53 Ca 0.65 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.78 2a1r h ARG 53 Cb 0.32 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.31 2a1r h ARG 53 CO 1.42 0.36 0.19 -0.92 -1.07 0.00 0.00 179.97 179.96 2a1r h TYR 54 N 0.00 0.34 -0.21 3.04 3.20 -1.99 -0.65 116.97 120.70 2a1r h TYR 54 Ca -0.00 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 2a1r h TYR 54 Cb 0.81 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 2a1r h TYR 54 CO 0.00 0.10 -0.30 1.96 -1.64 0.00 0.00 178.16 178.28 2a1r h GLN 55 N 0.37 0.41 0.50 1.82 1.08 -1.93 -0.54 115.11 116.82 2a1r h GLN 55 Ca 0.26 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 2a1r h GLN 55 Cb 0.29 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2a1r h GLN 55 CO -0.27 0.67 -0.24 0.87 -0.95 0.00 0.00 178.83 178.91 2a1r h LYS 56 N 0.35 -0.65 -1.02 1.46 1.57 -1.50 -2.73 116.57 114.06 2a1r h LYS 56 Ca 0.05 0.04 0.25 0.00 -1.87 0.00 0.00 60.65 59.12 2a1r h LYS 56 Cb 0.71 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 33.07 2a1r h LYS 56 CO 0.05 -0.43 0.65 -0.07 -0.57 0.00 0.00 179.45 179.09 2a1r h LEU 57 N -0.98 0.47 -1.02 2.94 4.07 -1.16 0.33 115.31 119.96 2a1r h LEU 57 Ca -0.07 0.08 -0.10 0.00 0.08 0.00 0.00 57.88 57.87 2a1r h LEU 57 Cb 0.51 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 2a1r h LEU 57 CO 0.11 0.11 -0.42 0.50 -1.08 0.00 0.00 178.44 177.66 2a1r h LYS 58 N 0.42 0.14 0.07 1.13 3.64 -1.12 0.56 116.57 121.41 2a1r h LYS 58 Ca 0.57 -0.06 -0.29 0.00 -1.27 0.00 0.00 60.65 59.60 2a1r h LYS 58 Cb 1.40 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 2a1r h LYS 58 CO -0.28 0.54 -1.48 0.87 -2.27 0.00 0.00 179.45 176.83 2a1r h LYS 59 N 0.11 0.14 0.00 1.90 6.56 -0.18 -3.35 116.57 121.76 2a1r h LYS 59 Ca 0.01 -0.25 0.00 0.00 -1.06 0.00 0.00 60.65 59.35 2a1r h LYS 59 Cb 0.80 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.55 2a1r h LYS 59 CO 0.06 0.96 -0.51 0.72 -2.06 0.00 0.00 179.45 178.62 2a1r n HIS 60 N -3.34 0.00 -0.07 -1.35 8.25 0.48 -4.72 115.22 114.46 2a1r n HIS 60 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2a1r n HIS 60 Cb 1.02 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.12 2a1r n HIS 60 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2a1r n SER 61 N -1.26 0.05 -0.47 0.41 7.64 0.17 -3.63 113.62 116.52 2a1r n SER 61 Ca 0.02 -0.30 0.13 0.00 1.01 0.00 0.00 58.87 59.72 2a1r n SER 61 Cb 0.16 0.36 0.40 0.00 -1.01 0.00 0.00 64.21 64.12 2a1r n SER 61 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2a1r n MET 62 N -0.36 1.47 0.08 1.43 2.00 -1.09 -3.31 117.12 117.35 2a1r n MET 62 Ca 0.00 -0.94 0.13 0.00 0.00 0.00 0.00 57.70 56.89 2a1r n MET 62 Cb 0.02 -1.48 0.30 0.00 0.00 0.00 0.00 33.22 32.06 2a1r n MET 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2a1r n ASP 63 N 0.06 0.74 -4.84 7.83 8.00 -1.26 -4.84 116.55 122.23 2a1r n ASP 63 Ca 0.16 0.35 -0.31 0.00 0.71 0.00 0.00 54.79 55.70 2a1r n ASP 63 Cb 0.39 -0.34 0.05 0.00 -0.02 0.00 0.00 41.12 41.19 2a1r n ASP 63 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2a1r s PHE 64 N -3.12 3.25 -0.08 1.24 0.40 -1.21 -1.67 117.98 116.78 2a1r s PHE 64 Ca 0.09 1.26 0.00 0.00 -0.60 0.00 0.00 56.93 57.68 2a1r s PHE 64 Cb 0.13 -2.92 -0.03 0.00 0.51 0.00 0.00 43.02 40.72 2a1r s PHE 64 CO 0.65 -1.17 -0.07 -1.17 0.70 0.00 0.00 175.22 174.16 2a1r s LEU 65 N -5.45 3.12 -0.44 -0.37 2.96 -1.26 -4.88 118.68 112.37 2a1r s LEU 65 Ca 0.58 -0.07 -0.19 0.00 -0.22 0.00 0.00 54.13 54.23 2a1r s LEU 65 Cb -0.13 -1.69 0.03 0.00 0.50 0.00 0.00 46.19 44.90 2a1r s LEU 65 CO 0.54 0.33 0.55 -0.22 -1.32 0.00 0.00 176.35 176.22 2a1r s LEU 66 N -0.58 4.71 0.00 -0.68 2.96 -1.26 -0.06 118.68 123.76 2a1r s LEU 66 Ca 0.09 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 2a1r s LEU 66 Cb -0.12 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 44.04 2a1r s LEU 66 CO 0.02 -0.70 0.65 2.22 -1.32 0.00 0.00 176.35 177.22 2a1r n PHE 67 N 5.95 0.01 -3.70 5.38 1.16 -0.65 -4.86 117.46 120.76 2a1r n PHE 67 Ca -0.05 -0.12 -0.21 0.00 -1.87 0.00 0.00 57.45 55.20 2a1r n PHE 67 Cb 0.47 -0.01 -0.18 0.00 -1.61 0.00 0.00 39.48 38.15 2a1r n PHE 67 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 2a1r s GLN 68 N -0.31 0.18 -0.30 3.97 0.74 -1.19 -1.85 119.66 120.89 2a1r s GLN 68 Ca 0.01 0.25 -0.05 0.00 0.05 0.00 0.00 55.36 55.62 2a1r s GLN 68 Cb 0.01 -0.77 0.03 0.00 1.10 0.00 0.00 33.01 33.38 2a1r s GLN 68 CO 0.01 -0.34 0.05 0.12 -0.55 0.00 0.00 175.29 174.58 2a1r s PHE 69 N 2.09 3.18 -0.11 1.67 5.36 0.03 -1.07 117.98 129.13 2a1r s PHE 69 Ca 0.05 -1.31 -0.16 0.00 -0.96 0.00 0.00 56.93 54.55 2a1r s PHE 69 Cb -0.12 -2.21 -0.05 0.00 -0.34 0.00 0.00 43.02 40.30 2a1r s PHE 69 CO -0.04 -0.67 0.39 0.20 -1.46 0.00 0.00 175.22 173.63 2a1r s GLY 70 N 1.41 2.33 -0.08 13.12 0.00 0.47 -1.07 107.32 123.50 2a1r s GLY 70 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.42 2a1r s GLY 70 CO 0.01 0.51 -0.09 -2.27 0.00 0.00 0.00 173.10 171.26 2a1r s LEU 71 N 0.24 1.37 -0.10 0.66 2.96 0.02 -2.06 118.68 121.77 2a1r s LEU 71 Ca 0.22 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 2a1r s LEU 71 Cb -0.14 -0.76 0.00 0.00 0.50 0.00 0.00 46.19 45.78 2a1r s LEU 71 CO 0.08 -0.05 -0.23 0.00 -1.32 0.00 0.00 176.35 174.83 2a1r s THR 73 N 0.37 4.87 -0.16 0.00 2.01 -0.23 -0.52 115.64 121.99 2a1r s THR 73 Ca -0.18 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.80 2a1r s THR 73 Cb -0.18 -3.15 0.03 0.00 0.01 0.00 0.00 72.50 69.21 2a1r s THR 73 CO 0.08 0.52 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.08 2a1r s PHE 74 N -0.19 1.98 -0.14 4.92 0.40 -0.92 -1.99 117.98 122.04 2a1r s PHE 74 Ca 0.08 -1.18 0.01 0.00 -0.60 0.00 0.00 56.93 55.24 2a1r s PHE 74 Cb -0.12 -1.47 0.00 0.00 0.51 0.00 0.00 43.02 41.95 2a1r s PHE 74 CO 0.01 -0.64 -0.18 0.21 0.70 0.00 0.00 175.22 175.32 2a1r s LYS 75 N 1.54 3.14 0.05 0.44 2.20 -0.16 -0.76 119.74 126.20 2a1r s LYS 75 Ca 0.02 -0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 54.54 2a1r s LYS 75 Cb -0.14 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.61 2a1r s LYS 75 CO -0.09 0.04 0.98 -0.47 -0.36 0.00 0.00 175.35 175.45 2a1r s TYR 76 N 0.73 3.72 -0.43 4.03 5.04 -1.26 -0.23 117.35 128.96 2a1r s TYR 76 Ca -0.08 1.73 -0.07 0.00 -2.44 0.00 0.00 57.07 56.22 2a1r s TYR 76 Cb -0.16 -3.10 0.10 0.00 0.35 0.00 0.00 41.96 39.16 2a1r s TYR 76 CO 0.01 0.05 0.26 0.34 -1.34 0.00 0.00 175.55 174.87 2a1r s ASP 77 N 0.55 5.50 0.45 4.32 -1.08 -0.62 -4.96 116.67 120.82 2a1r s ASP 77 Ca 0.50 -1.83 0.23 0.00 -0.52 0.00 0.00 52.55 50.93 2a1r s ASP 77 Cb -0.22 -1.93 1.01 0.00 -1.46 0.00 0.00 42.92 40.31 2a1r s ASP 77 CO 0.29 -0.59 1.87 1.88 0.52 0.00 0.00 175.17 179.14 2a1r h TYR 78 N 8.29 0.00 -0.06 -5.34 -1.99 -1.95 0.04 116.97 115.95 2a1r h TYR 78 Ca -0.19 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.54 2a1r h TYR 78 Cb 1.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.80 2a1r h TYR 78 CO 0.60 0.23 0.00 0.25 -0.00 0.00 0.00 178.16 179.24 2a1r n THR 79 N -3.50 0.21 -0.41 -2.88 -2.24 -1.26 -3.70 114.28 100.50 2a1r n THR 79 Ca -0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2a1r n THR 79 Cb 0.39 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 2a1r n THR 79 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2a1r n ASP 80 N -0.05 0.00 -3.59 3.42 2.03 -1.11 -5.07 116.55 112.19 2a1r n ASP 80 Ca 0.03 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.10 2a1r n ASP 80 Cb 0.25 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.68 2a1r n ASP 80 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2a1r n SER 81 N 0.00 -5.71 -3.57 1.67 3.41 -0.02 -5.02 113.62 104.39 2a1r n SER 81 Ca 0.00 -0.82 -0.17 0.00 -0.26 0.00 0.00 58.87 57.62 2a1r n SER 81 Cb 0.00 -3.33 -0.07 0.00 -0.26 0.00 0.00 64.21 60.56 2a1r n SER 81 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2a1r s LYS 82 N -5.16 0.96 0.20 4.33 -2.85 -1.18 -4.74 119.74 111.30 2a1r s LYS 82 Ca 0.27 0.39 -0.16 0.00 -1.00 0.00 0.00 55.97 55.47 2a1r s LYS 82 Cb -0.10 0.46 -0.08 0.00 -2.06 0.00 0.00 37.83 36.05 2a1r s LYS 82 CO 0.85 -0.26 0.63 0.71 0.10 0.00 0.00 175.35 177.37 2a1r s TYR 83 N -0.83 3.58 -0.11 1.78 1.51 -0.87 -1.59 117.35 120.82 2a1r s TYR 83 Ca -0.09 1.17 0.01 0.00 -1.01 0.00 0.00 57.07 57.15 2a1r s TYR 83 Cb -0.02 -2.46 -0.02 0.00 -0.11 0.00 0.00 41.96 39.36 2a1r s TYR 83 CO 0.07 0.35 -0.14 0.42 -1.11 0.00 0.00 175.55 175.14 2a1r s ILE 84 N -1.57 2.95 0.15 2.71 1.01 0.69 -1.25 121.20 125.89 2a1r s ILE 84 Ca 0.42 -0.71 0.09 0.00 0.00 0.00 0.00 60.65 60.44 2a1r s ILE 84 Cb -0.15 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 2a1r s ILE 84 CO 0.20 0.54 -0.13 0.42 0.00 0.00 0.00 174.94 175.97 2a1r s THR 85 N 0.07 3.04 -0.09 2.92 -4.23 0.13 -0.99 115.64 116.50 2a1r s THR 85 Ca -0.06 -1.58 -0.03 0.00 -1.18 0.00 0.00 61.69 58.85 2a1r s THR 85 Cb -0.15 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.28 2a1r s THR 85 CO 0.05 -0.01 0.06 -0.54 -0.54 0.00 0.00 174.62 173.64 2a1r s LYS 86 N -2.50 0.09 -0.09 3.99 1.02 -0.84 -1.30 119.74 120.11 2a1r s LYS 86 Ca 0.22 0.18 -0.06 0.00 0.02 0.00 0.00 55.97 56.33 2a1r s LYS 86 Cb -0.10 -1.01 -0.04 0.00 -0.52 0.00 0.00 37.83 36.17 2a1r s LYS 86 CO 0.13 -0.43 0.13 -1.12 -0.92 0.00 0.00 175.35 173.14 2a1r s SER 87 N 2.12 6.27 -0.01 2.83 0.01 -1.26 -1.06 113.70 122.59 2a1r s SER 87 Ca 0.04 0.41 0.03 0.00 1.31 0.00 0.00 55.95 57.74 2a1r s SER 87 Cb -0.13 -1.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.10 2a1r s SER 87 CO -0.05 0.38 -0.09 -0.36 0.41 0.00 0.00 173.24 173.52 2a1r s PHE 88 N -1.07 0.83 -0.20 2.43 0.40 0.49 0.72 117.98 121.57 2a1r s PHE 88 Ca 0.17 -0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.33 2a1r s PHE 88 Cb -0.12 -0.53 0.01 0.00 0.51 0.00 0.00 43.02 42.89 2a1r s PHE 88 CO 0.07 -0.01 -0.14 -0.80 0.70 0.00 0.00 175.22 175.04 2a1r s ASN 89 N -0.24 3.64 -0.21 1.36 0.02 0.14 -0.80 114.94 118.86 2a1r s ASN 89 Ca 0.03 -0.61 -0.06 0.00 -1.02 0.00 0.00 52.86 51.21 2a1r s ASN 89 Cb -0.04 -1.58 -0.02 0.00 0.02 0.00 0.00 41.25 39.63 2a1r s ASN 89 CO -0.00 -0.02 0.02 -0.36 0.02 0.00 0.00 177.10 176.75 2a1r s PHE 90 N 1.35 3.05 -0.16 2.20 0.40 -0.24 -0.53 117.98 124.05 2a1r s PHE 90 Ca 0.04 -0.47 -0.18 0.00 -0.60 0.00 0.00 56.93 55.72 2a1r s PHE 90 Cb -0.14 -2.12 -0.04 0.00 0.51 0.00 0.00 43.02 41.23 2a1r s PHE 90 CO -0.09 -0.28 0.49 0.71 0.70 0.00 0.00 175.22 176.74 2a1r s TYR 91 N 1.17 3.44 0.09 0.36 1.51 -0.72 -0.79 117.35 122.40 2a1r s TYR 91 Ca 0.03 0.81 0.07 0.00 -1.01 0.00 0.00 57.07 56.97 2a1r s TYR 91 Cb -0.14 -2.60 -0.03 0.00 -0.11 0.00 0.00 41.96 39.07 2a1r s TYR 91 CO 0.02 0.03 -0.17 0.14 -1.11 0.00 0.00 175.55 174.46 2a1r s VAL 92 N 1.14 1.39 -0.21 0.71 -7.23 -0.77 -0.51 120.40 114.92 2a1r s VAL 92 Ca 0.24 -1.41 -0.16 0.00 -1.81 0.00 0.00 61.98 58.84 2a1r s VAL 92 Cb -0.15 -1.30 0.06 0.00 0.56 0.00 0.00 36.38 35.55 2a1r s VAL 92 CO 0.10 -0.14 0.53 0.12 -0.31 0.00 0.00 175.10 175.39 2a1r s PHE 93 N -1.22 -0.67 -1.11 2.82 5.36 -0.43 -4.57 117.98 118.17 2a1r s PHE 93 Ca 0.02 1.51 -0.22 0.00 -0.96 0.00 0.00 56.93 57.28 2a1r s PHE 93 Cb -0.10 0.29 0.00 0.00 -0.34 0.00 0.00 43.02 42.87 2a1r s PHE 93 CO 0.03 -0.34 1.76 -1.25 -1.46 0.00 0.00 175.22 173.96 2a1r s PRO 94 N 0.80 3.20 -0.22 10.12 0.04 -1.26 -3.91 135.00 143.77 2a1r s PRO 94 Ca -0.04 -1.18 -0.28 0.00 0.04 0.00 0.00 61.00 59.54 2a1r s PRO 94 Cb -0.05 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.18 2a1r s PRO 94 CO -0.06 -2.91 0.98 0.21 0.04 0.00 0.00 177.00 175.26 2a1r s LYS 95 N 5.59 4.25 0.45 4.56 2.20 -1.26 -4.80 119.74 130.74 2a1r s LYS 95 Ca 0.59 1.26 -0.25 0.00 -0.36 0.00 0.00 55.97 57.21 2a1r s LYS 95 Cb -0.01 -3.63 -0.08 0.00 -1.51 0.00 0.00 37.83 32.60 2a1r s LYS 95 CO 0.02 -0.58 1.34 -1.25 -0.36 0.00 0.00 175.35 174.53 2a1r s PRO 96 N 3.02 3.68 0.45 4.03 0.04 -1.26 -4.79 135.00 140.17 2a1r s PRO 96 Ca 0.42 2.22 0.23 0.00 0.04 0.00 0.00 61.00 63.91 2a1r s PRO 96 Cb -0.15 -2.58 1.02 0.00 0.04 0.00 0.00 34.50 32.82 2a1r s PRO 96 CO 0.07 -0.75 1.88 0.35 0.04 0.00 0.00 177.00 178.60 2a1r h PHE 97 N 2.24 0.00 -1.49 0.56 3.57 -1.91 -3.47 116.94 116.45 2a1r h PHE 97 Ca -0.50 0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.34 2a1r h PHE 97 Cb 1.26 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.89 2a1r h PHE 97 CO 0.51 0.24 0.87 0.54 -2.23 0.00 0.00 178.31 178.23 2a1r s ASN 98 N -6.30 -0.04 -0.01 0.41 6.03 -1.26 -5.00 114.94 108.77 2a1r s ASN 98 Ca -0.01 -0.12 0.00 0.00 -1.03 0.00 0.00 52.86 51.70 2a1r s ASN 98 Cb 0.12 0.13 0.02 0.00 -3.03 0.00 0.00 41.25 38.49 2a1r s ASN 98 CO 0.64 -0.25 0.82 -1.14 -2.03 0.00 0.00 177.10 175.14 2a1r n ARG 99 N -0.56 1.07 -0.03 3.55 3.00 -1.26 -2.73 116.66 119.70 2a1r n ARG 99 Ca -0.07 -0.09 -0.03 0.00 -0.00 0.00 0.00 57.85 57.67 2a1r n ARG 99 Cb 0.62 -1.24 -0.06 0.00 0.00 0.00 0.00 32.46 31.79 2a1r n ARG 99 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2a1r n SER 100 N 0.27 3.29 -4.91 6.15 3.41 -1.26 -5.06 113.62 115.51 2a1r n SER 100 Ca 0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.35 2a1r n SER 100 Cb 0.43 0.75 0.06 0.00 -0.26 0.00 0.00 64.21 65.19 2a1r n SER 100 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2a1r s SER 101 N -3.73 5.05 0.45 4.04 1.04 -1.10 -5.02 113.70 114.43 2a1r s SER 101 Ca -0.03 0.67 -0.25 0.00 0.48 0.00 0.00 55.95 56.82 2a1r s SER 101 Cb 0.02 -1.40 -0.08 0.00 0.10 0.00 0.00 66.02 64.66 2a1r s SER 101 CO 0.29 -1.48 1.41 -2.16 0.98 0.00 0.00 173.24 172.28 2a1r s PRO 102 N -5.25 3.66 -0.39 4.02 0.04 -1.26 -4.85 135.00 130.97 2a1r s PRO 102 Ca 0.59 2.37 -0.07 0.00 0.04 0.00 0.00 61.00 63.92 2a1r s PRO 102 Cb -0.11 -2.63 0.07 0.00 0.04 0.00 0.00 34.50 31.87 2a1r s PRO 102 CO 0.47 -0.82 0.20 0.34 0.04 0.00 0.00 177.00 177.22 2a1r s ASP 103 N -0.58 5.47 -0.03 6.66 3.68 -1.26 -4.70 116.67 125.92 2a1r s ASP 103 Ca 0.62 -1.44 -0.30 0.00 2.13 0.00 0.00 52.55 53.55 2a1r s ASP 103 Cb -0.43 -1.92 -0.03 0.00 -1.45 0.00 0.00 42.92 39.09 2a1r s ASP 103 CO 0.55 -0.46 1.07 -0.69 0.13 0.00 0.00 175.17 175.76 2a1r s VAL 104 N 1.38 4.59 -0.18 1.11 1.01 -1.26 -5.02 120.40 122.03 2a1r s VAL 104 Ca 0.02 1.86 -0.12 0.00 0.00 0.00 0.00 61.98 63.74 2a1r s VAL 104 Cb -0.22 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 2a1r s VAL 104 CO 0.01 0.07 0.24 -0.54 0.00 0.00 0.00 175.10 174.89 2a1r s LYS 105 N 1.55 4.21 0.17 2.72 3.01 -1.26 -5.10 119.74 125.04 2a1r s LYS 105 Ca 0.53 -0.03 0.06 0.00 -1.01 0.00 0.00 55.97 55.52 2a1r s LYS 105 Cb -0.22 -3.44 -0.04 0.00 -1.01 0.00 0.00 37.83 33.11 2a1r s LYS 105 CO 0.24 0.22 -0.13 -0.59 0.51 0.00 0.00 175.35 175.60 2a1r s PHE 106 N 0.56 1.50 -0.07 3.18 -0.12 -1.26 -5.01 117.98 116.77 2a1r s PHE 106 Ca 0.13 -0.62 -0.09 0.00 -0.05 0.00 0.00 56.93 56.30 2a1r s PHE 106 Cb -0.12 -0.74 -0.05 0.00 -0.63 0.00 0.00 43.02 41.48 2a1r s PHE 106 CO 0.02 0.22 0.23 0.08 -0.05 0.00 0.00 175.22 175.72 2a1r s VAL 107 N -2.85 5.36 -0.06 -2.49 1.01 -0.67 -5.00 120.40 115.70 2a1r s VAL 107 Ca 0.17 0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.52 2a1r s VAL 107 Cb -0.01 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2a1r s VAL 107 CO 0.04 0.56 -0.15 0.00 0.00 0.00 0.00 175.10 175.55 2a1r s GLN 109 N -0.61 3.61 0.15 0.00 0.74 0.78 -4.94 119.66 119.39 2a1r s GLN 109 Ca 0.09 -0.52 -0.17 0.00 0.05 0.00 0.00 55.36 54.81 2a1r s GLN 109 Cb -0.11 -3.08 0.06 0.00 1.10 0.00 0.00 33.01 30.97 2a1r s GLN 109 CO 0.01 0.00 1.72 0.77 -0.55 0.00 0.00 175.29 177.24 2a1r h SER 110 N 7.53 -0.03 0.23 6.67 0.02 -2.00 -0.78 113.55 125.19 2a1r h SER 110 Ca -0.36 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.60 2a1r h SER 110 Cb 1.18 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 2a1r h SER 110 CO 0.61 0.02 -0.24 0.77 -1.14 0.00 0.00 176.83 176.85 2a1r h SER 111 N 0.16 0.02 0.34 3.07 4.64 -1.96 -0.92 113.55 118.90 2a1r h SER 111 Ca 0.16 -0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.22 2a1r h SER 111 Cb 0.19 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2a1r h SER 111 CO -0.22 0.26 -1.08 0.28 -0.87 0.00 0.00 176.83 175.20 2a1r h SER 112 N 0.02 0.60 -0.36 4.97 0.02 -1.62 -1.40 113.55 115.79 2a1r h SER 112 Ca 0.00 -0.53 -0.13 0.00 -0.84 0.00 0.00 61.79 60.29 2a1r h SER 112 Cb 0.44 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2a1r h SER 112 CO 0.03 1.35 -0.29 0.40 -1.14 0.00 0.00 176.83 177.19 2a1r h ILE 113 N 0.21 1.28 -0.74 3.27 5.03 -0.85 -1.88 117.51 123.83 2a1r h ILE 113 Ca -0.12 -1.45 -0.05 0.00 -0.12 0.00 0.00 64.86 63.13 2a1r h ILE 113 Cb 1.74 1.41 -0.03 0.00 -3.03 0.00 0.00 36.82 36.91 2a1r h ILE 113 CO 0.19 0.48 0.27 -0.78 -0.68 0.00 0.00 178.15 177.63 2a1r h ASP 114 N 0.62 1.05 -0.22 1.72 3.58 -1.17 -0.43 116.42 121.57 2a1r h ASP 114 Ca 0.07 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.33 2a1r h ASP 114 Cb 0.86 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 2a1r h ASP 114 CO 0.07 0.95 0.13 0.15 -2.88 0.00 0.00 179.24 177.67 2a1r h PHE 115 N 1.08 0.30 -0.34 0.28 3.57 -1.16 -2.46 116.94 118.21 2a1r h PHE 115 Ca 0.24 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.65 2a1r h PHE 115 Cb 0.25 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2a1r h PHE 115 CO 0.02 0.25 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.11 2a1r h LEU 116 N 0.27 0.61 -0.81 0.59 3.38 -0.99 -2.33 115.31 116.02 2a1r h LEU 116 Ca 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2a1r h LEU 116 Cb 0.04 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2a1r h LEU 116 CO -0.01 0.79 0.52 0.00 0.09 0.00 0.00 178.44 179.83 2a1r h ALA 117 N 1.26 1.03 0.00 1.53 0.00 -0.99 -2.26 119.26 119.84 2a1r h ALA 117 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2a1r h ALA 117 Cb 0.60 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2a1r h ALA 117 CO 0.04 0.46 0.00 -1.13 0.00 0.00 0.00 179.25 178.62 2a1r n SER 118 N -4.50 0.61 -1.15 0.00 3.41 -0.90 -1.74 113.62 109.36 2a1r n SER 118 Ca 0.08 0.64 0.09 0.00 -0.26 0.00 0.00 58.87 59.42 2a1r n SER 118 Cb 0.03 -0.77 0.26 0.00 -0.26 0.00 0.00 64.21 63.47 2a1r n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a1r n GLN 119 N -2.16 2.62 -1.06 4.33 1.13 -0.89 -4.96 117.38 116.40 2a1r n GLN 119 Ca 0.02 -2.13 -0.02 0.00 -1.94 0.00 0.00 57.00 52.93 2a1r n GLN 119 Cb 0.24 -1.56 -0.01 0.00 0.11 0.00 0.00 30.24 29.02 2a1r n GLN 119 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2a1r n GLY 120 N 1.26 0.54 3.74 1.08 0.00 -0.71 -4.80 105.19 106.29 2a1r n GLY 120 Ca 0.20 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2a1r n GLY 120 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2a1r s PHE 121 N -2.07 2.99 -0.53 1.61 5.36 -1.00 -4.97 117.98 119.37 2a1r s PHE 121 Ca 0.00 0.85 -0.17 0.00 -0.96 0.00 0.00 56.93 56.66 2a1r s PHE 121 Cb 0.00 -3.90 0.11 0.00 -0.34 0.00 0.00 43.02 38.89 2a1r s PHE 121 CO 0.00 -3.08 0.52 0.34 -1.46 0.00 0.00 175.22 171.54 2a1r s ASP 122 N 0.64 6.18 0.55 6.13 -1.08 -1.26 -4.77 116.67 123.06 2a1r s ASP 122 Ca 0.64 -1.59 0.32 0.00 -0.52 0.00 0.00 52.55 51.39 2a1r s ASP 122 Cb -0.43 -2.22 1.56 0.00 -1.46 0.00 0.00 42.92 40.36 2a1r s ASP 122 CO 0.40 -0.86 2.08 -0.26 0.52 0.00 0.00 175.17 177.06 2a1r h PHE 123 N 8.91 0.00 0.00 -5.34 -1.00 -1.99 -1.88 116.94 115.64 2a1r h PHE 123 Ca -0.29 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.45 2a1r h PHE 123 Cb 1.10 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.65 2a1r h PHE 123 CO 0.73 0.08 -0.19 -0.91 -1.61 0.00 0.00 178.31 176.41 2a1r h ASN 124 N 0.00 0.00 0.18 2.17 2.35 -1.96 0.27 115.58 118.59 2a1r h ASN 124 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2a1r h ASN 124 Cb 0.35 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 2a1r h ASN 124 CO 0.01 0.19 -0.11 0.11 -1.65 0.00 0.00 177.43 175.98 2a1r h LYS 125 N 0.00 0.00 0.00 0.81 1.57 -1.71 -0.66 116.57 116.58 2a1r h LYS 125 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2a1r h LYS 125 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2a1r h LYS 125 CO 0.02 0.11 -0.85 0.28 -0.57 0.00 0.00 179.45 178.44 2a1r n VAL 126 N -4.05 1.46 0.80 0.50 0.31 -0.73 -2.20 118.33 114.42 2a1r n VAL 126 Ca -0.02 0.14 0.13 0.00 -0.01 0.00 0.00 64.34 64.58 2a1r n VAL 126 Cb 0.19 -2.33 0.51 0.00 -0.91 0.00 0.00 33.84 31.31 2a1r n VAL 126 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2a1r n PHE 127 N -4.52 0.39 -0.03 3.52 3.01 0.00 -1.80 117.46 118.03 2a1r n PHE 127 Ca -0.14 0.12 -0.04 0.00 1.01 0.00 0.00 57.45 58.40 2a1r n PHE 127 Cb 0.42 -0.69 -0.03 0.00 -0.01 0.00 0.00 39.48 39.17 2a1r n PHE 127 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2a1r n ARG 128 N -1.82 0.88 -0.24 -1.08 1.74 -0.82 -4.85 116.66 110.47 2a1r n ARG 128 Ca 0.06 0.03 0.09 0.00 -0.77 0.00 0.00 57.85 57.25 2a1r n ARG 128 Cb 0.36 -1.12 0.19 0.00 -1.02 0.00 0.00 32.46 30.87 2a1r n ARG 128 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2a1r n ASN 129 N -2.56 3.04 -4.78 0.55 3.02 -0.32 -5.02 115.26 109.20 2a1r n ASN 129 Ca -0.10 -2.98 -0.41 0.00 -0.03 0.00 0.00 54.58 51.06 2a1r n ASN 129 Cb 0.62 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 2a1r n ASN 129 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2a1r s GLY 130 N -2.33 2.94 0.07 7.41 0.00 -0.74 -0.75 107.32 113.92 2a1r s GLY 130 Ca 0.35 1.58 -0.30 0.00 0.00 0.00 0.00 44.72 46.34 2a1r s GLY 130 CO 0.06 2.26 1.16 -0.42 0.00 0.00 0.00 173.10 176.16 2a1r s ILE 131 N -1.13 4.12 0.81 0.90 1.01 0.33 -4.37 121.20 122.86 2a1r s ILE 131 Ca 0.54 1.55 -0.12 0.00 0.00 0.00 0.00 60.65 62.63 2a1r s ILE 131 Cb -0.46 -3.99 0.07 0.00 0.01 0.00 0.00 42.46 38.09 2a1r s ILE 131 CO 0.63 0.14 1.11 -2.16 0.00 0.00 0.00 174.94 174.65 2a1r s PRO 132 N 0.90 2.02 0.08 2.79 0.04 -1.25 -1.32 135.00 138.25 2a1r s PRO 132 Ca 0.57 0.53 -0.24 0.00 0.04 0.00 0.00 61.00 61.89 2a1r s PRO 132 Cb -0.28 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.40 2a1r s PRO 132 CO 0.30 -1.64 0.58 1.52 0.04 0.00 0.00 177.00 177.80 2a1r s TYR 133 N -3.23 -0.51 -0.02 0.56 -0.85 -1.16 -1.07 117.35 111.07 2a1r s TYR 133 Ca 0.61 0.52 0.02 0.00 -0.52 0.00 0.00 57.07 57.70 2a1r s TYR 133 Cb -0.14 0.44 0.01 0.00 0.38 0.00 0.00 41.96 42.65 2a1r s TYR 133 CO 0.53 -0.72 -0.06 -0.51 -1.52 0.00 0.00 175.55 173.27 2a1r s LEU 134 N -2.17 1.67 1.04 -3.49 1.43 -1.14 -4.84 118.68 111.18 2a1r s LEU 134 Ca -0.03 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 52.77 2a1r s LEU 134 Cb -0.00 -0.41 0.22 0.00 0.03 0.00 0.00 46.19 46.03 2a1r s LEU 134 CO -0.04 0.02 1.22 0.54 0.23 0.00 0.00 176.35 178.32 2a1r s ASN 135 N 0.37 2.36 0.13 2.29 2.20 -1.26 -4.77 114.94 116.27 2a1r s ASN 135 Ca -0.05 0.47 -0.30 0.00 -0.94 0.00 0.00 52.86 52.05 2a1r s ASN 135 Cb -0.09 -0.64 -0.09 0.00 -2.00 0.00 0.00 41.25 38.43 2a1r s ASN 135 CO 0.00 -3.22 1.50 -0.61 -2.94 0.00 0.00 177.10 171.84 2a1r h GLN 136 N -1.97 -0.23 -0.07 3.55 5.75 -0.47 -2.09 115.11 119.58 2a1r h GLN 136 Ca -0.45 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.09 2a1r h GLN 136 Cb 1.27 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.85 2a1r h GLN 136 CO 0.39 -0.15 -0.06 0.93 -2.65 0.00 0.00 178.83 177.29 2a1r h GLU 137 N -0.24 -0.07 -0.11 1.69 4.39 -1.94 -2.29 114.58 116.00 2a1r h GLU 137 Ca 0.10 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 2a1r h GLU 137 Cb 0.49 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2a1r h GLU 137 CO -0.67 -0.05 -0.07 0.93 -1.16 0.00 0.00 179.01 178.00 2a1r h GLU 138 N -0.08 0.16 -0.26 2.33 5.08 -1.90 0.70 114.58 120.63 2a1r h GLU 138 Ca 0.05 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 2a1r h GLU 138 Cb 0.15 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2a1r h GLU 138 CO -0.12 0.24 -0.45 1.49 -1.00 0.00 0.00 179.01 179.17 2a1r h GLU 139 N 0.16 0.76 0.01 2.33 4.81 -0.93 -2.81 114.58 118.90 2a1r h GLU 139 Ca 0.04 -0.47 -0.06 0.00 -0.13 0.00 0.00 59.36 58.73 2a1r h GLU 139 Cb 0.23 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2a1r h GLU 139 CO 0.01 1.10 -0.23 -0.09 -0.73 0.00 0.00 179.01 179.07 2a1r h ARG 140 N 0.50 0.15 -0.17 1.92 2.43 -1.12 -3.28 114.38 114.80 2a1r h ARG 140 Ca 0.02 -0.16 0.05 0.00 -0.81 0.00 0.00 59.98 59.07 2a1r h ARG 140 Cb 1.06 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 2a1r h ARG 140 CO 0.10 0.93 0.14 0.37 -1.51 0.00 0.00 179.97 180.00 2a1r h GLN 141 N -0.57 0.00 -3.60 0.20 4.15 -0.98 -3.27 115.11 111.04 2a1r h GLN 141 Ca -0.03 0.00 -0.75 0.00 0.77 0.00 0.00 58.65 58.64 2a1r h GLN 141 Cb 1.01 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.58 2a1r h GLN 141 CO 0.04 0.00 2.30 -0.11 -1.93 0.00 0.00 178.83 179.13 2a1r n LEU 142 N -4.25 6.73 -3.53 -2.39 7.94 -1.06 -5.07 117.00 115.38 2a1r n LEU 142 Ca 0.01 -4.53 -0.11 0.00 -1.11 0.00 0.00 56.01 50.27 2a1r n LEU 142 Cb 0.26 -1.52 -0.10 0.00 0.53 0.00 0.00 43.42 42.60 2a1r n LEU 142 CO 0.32 1.33 -0.06 -0.13 -1.11 0.00 0.00 177.39 177.74 2a1r s ARG 143 N 1.01 0.28 0.00 1.96 1.81 -1.24 -4.96 118.95 117.81 2a1r s ARG 143 Ca 0.41 0.70 0.00 0.00 -1.72 0.00 0.00 55.73 55.13 2a1r s ARG 143 Cb 0.11 -0.21 0.00 0.00 -0.45 0.00 0.00 34.95 34.40 2a1r s ARG 143 CO -0.02 -0.45 0.00 0.94 -0.68 0.00 0.00 175.30 175.09 2a1r n GLN 261 N 5.37 0.00 0.20 3.54 -0.06 -1.26 -5.21 117.38 119.95 2a1r n GLN 261 Ca -0.06 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 54.99 2a1r n GLN 261 Cb 0.50 -0.27 0.40 0.00 -4.06 0.00 0.00 30.24 26.81 2a1r n GLN 261 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 2a1r h GLU 262 N 0.00 0.00 0.00 3.69 4.57 -2.06 -2.62 114.58 118.16 2a1r h GLU 262 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2a1r h GLU 262 Cb 0.48 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2a1r h GLU 262 CO 0.00 0.35 -0.01 1.49 -1.18 0.00 0.00 179.01 179.66 2a1r h GLU 263 N 0.00 0.00 0.03 1.92 4.81 -2.06 -2.05 114.58 117.22 2a1r h GLU 263 Ca -0.00 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 2a1r h GLU 263 Cb 0.72 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 2a1r h GLU 263 CO 0.05 0.01 -1.45 1.25 -0.73 0.00 0.00 179.01 178.14 2a1r h LEU 264 N 0.00 0.08 -0.07 1.64 6.46 -1.92 -3.19 115.31 118.31 2a1r h LEU 264 Ca -0.00 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 2a1r h LEU 264 Cb 0.02 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 2a1r h LEU 264 CO 0.00 1.11 -0.03 0.59 -0.62 0.00 0.00 178.44 179.49 2a1r n ASN 265 N -3.24 0.15 0.04 1.25 5.03 -1.00 -2.21 115.26 115.28 2a1r n ASN 265 Ca -0.12 -0.41 0.11 0.00 0.87 0.00 0.00 54.58 55.04 2a1r n ASN 265 Cb 1.01 -0.18 -0.03 0.00 -1.02 0.00 0.00 39.78 39.56 2a1r n ASN 265 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2a1r n ASP 266 N -1.14 0.54 -0.03 6.41 10.43 -0.81 -4.08 116.55 127.87 2a1r n ASP 266 Ca 0.16 -0.03 -0.15 0.00 2.57 0.00 0.00 54.79 57.34 2a1r n ASP 266 Cb 0.23 0.99 -0.09 0.00 1.84 0.00 0.00 41.12 44.10 2a1r n ASP 266 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2a1r h ALA 267 N 2.27 0.16 -0.95 2.24 0.00 -1.42 -3.16 119.26 118.40 2a1r h ALA 267 Ca 0.00 -0.45 0.15 0.00 0.00 0.00 0.00 54.91 54.61 2a1r h ALA 267 Cb 0.86 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 2a1r h ALA 267 CO 0.00 0.24 0.60 -0.24 0.00 0.00 0.00 179.25 179.85 2a1r h VAL 268 N -0.06 0.83 0.00 0.00 3.04 -1.72 -3.06 116.25 115.28 2a1r h VAL 268 Ca -0.02 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 2a1r h VAL 268 Cb 1.00 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.25 2a1r h VAL 268 CO 0.07 0.14 0.00 0.61 -1.01 0.00 0.00 177.57 177.39 2a1r n GLY 269 N -1.39 2.74 0.29 3.17 0.00 -1.20 -2.20 105.19 106.60 2a1r n GLY 269 Ca 0.19 0.31 0.17 0.00 0.00 0.00 0.00 46.02 46.69 2a1r n GLY 269 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2a1r h PHE 270 N 0.00 0.00 -0.04 1.61 3.57 -1.40 -2.49 116.94 118.19 2a1r h PHE 270 Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2a1r h PHE 270 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2a1r h PHE 270 CO 0.00 0.05 0.03 0.77 -2.23 0.00 0.00 178.31 176.94 2a1r h SER 271 N 0.00 0.00 -0.75 0.41 0.02 -1.70 -1.04 113.55 110.50 2a1r h SER 271 Ca -0.00 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.10 2a1r h SER 271 Cb 0.31 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.75 2a1r h SER 271 CO 0.01 0.00 0.27 0.03 -1.14 0.00 0.00 176.83 175.99 2a1r h ARG 272 N 0.00 0.38 -0.32 3.45 3.08 -1.63 -0.25 114.38 119.08 2a1r h ARG 272 Ca 0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2a1r h ARG 272 Cb 0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2a1r h ARG 272 CO -0.00 0.25 0.15 0.28 -1.07 0.00 0.00 179.97 179.59 2a1r h VAL 273 N 0.39 1.16 -0.99 2.04 2.07 -1.40 -1.60 116.25 117.92 2a1r h VAL 273 Ca 0.42 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.50 2a1r h VAL 273 Cb 0.66 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 2a1r h VAL 273 CO -0.43 0.17 0.65 0.40 0.02 0.00 0.00 177.57 178.37 2a1r h ILE 274 N 0.39 1.20 -0.28 4.57 1.08 -1.37 -1.39 117.51 121.71 2a1r h ILE 274 Ca 0.11 -0.44 -0.10 0.00 -0.39 0.00 0.00 64.86 64.04 2a1r h ILE 274 Cb 0.12 -0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 33.67 2a1r h ILE 274 CO -0.01 0.23 -0.27 0.45 -0.69 0.00 0.00 178.15 177.86 2a1r h HIS 275 N 1.28 0.63 -0.17 1.37 3.86 -0.79 -1.87 115.15 119.46 2a1r h HIS 275 Ca 0.38 -0.14 -0.15 0.00 -1.16 0.00 0.00 60.37 59.30 2a1r h HIS 275 Cb -0.05 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 2a1r h HIS 275 CO -0.00 0.77 -0.54 0.00 0.86 0.00 0.00 177.93 179.01 2a1r h ALA 276 N 1.23 0.75 -0.55 2.45 0.00 -0.69 -0.35 119.26 122.10 2a1r h ALA 276 Ca 0.07 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 2a1r h ALA 276 Cb 0.72 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2a1r h ALA 276 CO 0.05 0.69 -0.07 0.82 0.00 0.00 0.00 179.25 180.75 2a1r h ILE 277 N 0.38 1.26 -0.28 0.00 2.04 -1.11 -2.54 117.51 117.27 2a1r h ILE 277 Ca 0.01 -1.20 -0.13 0.00 1.00 0.00 0.00 64.86 64.53 2a1r h ILE 277 Cb 1.07 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 2a1r h ILE 277 CO 0.10 0.43 -0.34 0.00 0.00 0.00 0.00 178.15 178.34 2a1r h ALA 278 N 1.01 0.41 0.00 1.87 0.00 -1.11 -3.06 119.26 118.39 2a1r h ALA 278 Ca 0.15 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2a1r h ALA 278 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2a1r h ALA 278 CO 0.04 0.47 0.00 0.09 0.00 0.00 0.00 179.25 179.85 2a1r n ASN 279 N -4.23 0.17 0.16 0.00 3.02 -0.16 -3.15 115.26 111.08 2a1r n ASN 279 Ca -0.04 0.53 0.04 0.00 -0.03 0.00 0.00 54.58 55.07 2a1r n ASN 279 Cb 0.50 -0.57 0.19 0.00 -0.61 0.00 0.00 39.78 39.30 2a1r n ASN 279 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2a1r h SER 280 N 0.00 0.00 0.00 6.41 4.64 -1.34 -3.47 113.55 119.79 2a1r h SER 280 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a1r h SER 280 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2a1r h SER 280 CO 0.00 0.46 0.00 0.61 -0.87 0.00 0.00 176.83 177.03 2a1r n GLY 281 N 0.68 2.67 3.77 -0.77 0.00 -1.19 -5.00 105.19 105.36 2a1r n GLY 281 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2a1r n GLY 281 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a1r s LYS 282 N 0.00 2.78 0.27 1.61 1.02 -1.26 -4.38 119.74 119.78 2a1r s LYS 282 Ca 0.00 1.43 -0.30 0.00 0.02 0.00 0.00 55.97 57.11 2a1r s LYS 282 Cb 0.00 -1.95 -0.11 0.00 -0.52 0.00 0.00 37.83 35.25 2a1r s LYS 282 CO 0.00 -1.27 1.58 -1.17 -0.92 0.00 0.00 175.35 173.57 2a1r s LEU 283 N -4.83 4.36 -0.23 3.17 2.96 -1.26 -4.55 118.68 118.29 2a1r s LEU 283 Ca 0.68 2.87 -0.00 0.00 -0.22 0.00 0.00 54.13 57.46 2a1r s LEU 283 Cb -0.21 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 42.88 2a1r s LEU 283 CO 0.41 -0.88 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.77 2a1r s VAL 284 N 0.21 2.60 -0.02 1.68 1.01 -0.53 -0.96 120.40 124.39 2a1r s VAL 284 Ca 0.64 -1.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 2a1r s VAL 284 Cb -0.47 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 2a1r s VAL 284 CO 0.44 0.25 0.24 -0.63 0.00 0.00 0.00 175.10 175.41 2a1r s ILE 285 N 1.29 5.34 0.21 2.22 -1.09 0.52 -1.97 121.20 127.71 2a1r s ILE 285 Ca 0.00 0.20 -0.10 0.00 -2.23 0.00 0.00 60.65 58.52 2a1r s ILE 285 Cb -0.16 -3.54 -0.01 0.00 -1.58 0.00 0.00 42.46 37.17 2a1r s ILE 285 CO -0.06 0.43 0.35 -0.83 -1.23 0.00 0.00 174.94 173.60 2a1r s GLY 286 N -1.54 0.65 -0.19 6.18 0.00 -0.08 -0.79 107.32 111.54 2a1r s GLY 286 Ca 0.25 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 43.97 2a1r s GLY 286 CO 0.14 -0.82 -0.16 -1.58 0.00 0.00 0.00 173.10 170.68 2a1r s HIS 287 N -4.02 2.85 -1.24 1.90 2.46 -1.26 -1.04 115.29 114.94 2a1r s HIS 287 Ca 0.23 -1.51 -0.06 0.00 0.47 0.00 0.00 55.06 54.19 2a1r s HIS 287 Cb 0.02 -1.97 -0.01 0.00 -0.13 0.00 0.00 32.58 30.49 2a1r s HIS 287 CO 0.06 -0.75 0.72 -1.71 -2.47 0.00 0.00 174.74 170.59 2a1r n ASN 288 N 4.66 -2.81 -0.68 9.88 5.15 -1.26 -4.90 115.26 125.30 2a1r n ASN 288 Ca -0.20 -0.88 0.06 0.00 -0.60 0.00 0.00 54.58 52.97 2a1r n ASN 288 Cb 0.50 -3.92 0.18 0.00 -0.53 0.00 0.00 39.78 36.01 2a1r n ASN 288 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 2a1r n MET 289 N -4.14 1.86 0.10 1.20 0.00 -1.26 -4.54 117.12 110.33 2a1r n MET 289 Ca -0.22 -1.33 -0.12 0.00 0.00 0.00 0.00 57.70 56.03 2a1r n MET 289 Cb 0.65 -1.30 -0.06 0.00 0.00 0.00 0.00 33.22 32.51 2a1r n MET 289 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2a1r h LEU 290 N 2.19 -0.47 -1.11 3.17 6.46 -1.91 -0.57 115.31 123.08 2a1r h LEU 290 Ca 0.00 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 2a1r h LEU 290 Cb 0.50 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.58 2a1r h LEU 290 CO 0.00 -0.24 0.32 -0.07 -0.62 0.00 0.00 178.44 177.83 2a1r h LEU 291 N -0.33 0.86 -0.33 2.25 4.07 -1.97 -0.92 115.31 118.94 2a1r h LEU 291 Ca 0.03 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 2a1r h LEU 291 Cb 0.35 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 2a1r h LEU 291 CO -0.10 0.73 0.20 0.44 -1.08 0.00 0.00 178.44 178.62 2a1r h ASP 292 N 0.95 0.40 -0.20 -0.43 3.32 -1.66 -1.41 116.42 117.38 2a1r h ASP 292 Ca 0.23 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 57.05 2a1r h ASP 292 Cb 0.09 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 2a1r h ASP 292 CO -0.03 0.33 -0.57 0.58 -1.72 0.00 0.00 179.24 177.84 2a1r h VAL 293 N 0.43 1.28 0.21 -1.35 2.07 -0.91 -1.54 116.25 116.45 2a1r h VAL 293 Ca 0.12 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 2a1r h VAL 293 Cb 0.01 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2a1r h VAL 293 CO -0.02 0.57 -0.10 0.24 0.02 0.00 0.00 177.57 178.28 2a1r h MET 294 N 0.61 -0.27 -0.99 1.57 2.86 -1.06 -0.55 114.93 117.10 2a1r h MET 294 Ca 0.01 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.77 2a1r h MET 294 Cb 1.16 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.81 2a1r h MET 294 CO 0.12 -0.09 0.63 0.45 1.06 0.00 0.00 176.91 179.09 2a1r h HIS 295 N -0.40 1.13 -0.14 -0.22 -0.00 -1.26 0.17 115.15 114.43 2a1r h HIS 295 Ca -0.03 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 2a1r h HIS 295 Cb 0.31 -0.36 -0.00 0.00 -0.00 0.00 0.00 27.41 27.35 2a1r h HIS 295 CO -0.03 0.49 -0.04 1.15 -0.00 0.00 0.00 177.93 179.51 2a1r h THR 296 N 1.03 1.29 0.20 2.45 2.02 -0.97 0.03 112.91 118.95 2a1r h THR 296 Ca 0.47 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 2a1r h THR 296 Cb 0.41 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2a1r h THR 296 CO -0.23 0.29 -0.10 0.58 0.37 0.00 0.00 175.52 176.43 2a1r h VAL 297 N -0.05 0.86 -0.17 3.16 2.07 -0.78 -1.28 116.25 120.06 2a1r h VAL 297 Ca 0.03 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.31 2a1r h VAL 297 Cb 0.47 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 2a1r h VAL 297 CO 0.01 0.07 -0.40 -0.74 0.02 0.00 0.00 177.57 176.54 2a1r h HIS 298 N -0.41 -1.13 -0.02 1.57 6.17 -0.57 -0.47 115.15 120.30 2a1r h HIS 298 Ca -0.03 0.05 -0.19 0.00 0.71 0.00 0.00 60.37 60.91 2a1r h HIS 298 Cb 0.32 0.52 -0.01 0.00 2.52 0.00 0.00 27.41 30.75 2a1r h HIS 298 CO -0.02 -0.45 -0.81 1.96 0.71 0.00 0.00 177.93 179.32 2a1r h GLN 299 N -0.44 0.24 0.00 5.26 4.20 -0.98 -3.32 115.11 120.07 2a1r h GLN 299 Ca 0.09 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2a1r h GLN 299 Cb 0.60 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.44 2a1r h GLN 299 CO -0.41 0.93 -0.40 1.19 -0.67 0.00 0.00 178.83 179.47 2a1r n PHE 300 N -3.73 0.00 0.02 2.96 0.99 -0.49 -4.11 117.46 113.11 2a1r n PHE 300 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.40 2a1r n PHE 300 Cb 0.76 -0.02 -0.01 0.00 -1.00 0.00 0.00 39.48 39.21 2a1r n PHE 300 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 2a1r n TYR 301 N -1.21 0.00 -3.65 1.38 9.36 -0.31 -4.11 117.16 118.63 2a1r n TYR 301 Ca 0.01 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 2a1r n TYR 301 Cb 0.08 -0.07 -0.06 0.00 -0.63 0.00 0.00 39.34 38.66 2a1r n TYR 301 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2a1r n PRO 303 N 1.04 0.51 -1.94 0.00 -0.04 -1.25 -3.60 135.00 129.71 2a1r n PRO 303 Ca -0.05 0.24 -0.41 0.00 -0.04 0.00 0.00 63.50 63.23 2a1r n PRO 303 Cb 0.58 -2.43 -0.02 0.00 -0.04 0.00 0.00 33.50 31.59 2a1r n PRO 303 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2a1r s LEU 304 N -4.82 4.37 0.89 1.53 1.02 -1.26 -4.92 118.68 115.49 2a1r s LEU 304 Ca 0.76 2.73 -0.11 0.00 0.02 0.00 0.00 54.13 57.52 2a1r s LEU 304 Cb -0.33 -3.62 0.18 0.00 0.02 0.00 0.00 46.19 42.44 2a1r s LEU 304 CO 0.48 -0.77 1.22 -2.16 0.02 0.00 0.00 176.35 175.14 2a1r s PRO 305 N -0.15 0.97 -0.03 1.29 0.04 -1.26 -5.04 135.00 130.82 2a1r s PRO 305 Ca 0.62 -0.62 -0.22 0.00 0.04 0.00 0.00 61.00 60.82 2a1r s PRO 305 Cb -0.44 -2.00 -0.15 0.00 0.04 0.00 0.00 34.50 31.95 2a1r s PRO 305 CO 0.42 -2.11 0.96 0.00 0.04 0.00 0.00 177.00 176.31 2a1r h ALA 306 N -1.30 -0.29 -2.53 8.56 0.00 -1.99 -3.46 119.26 118.27 2a1r h ALA 306 Ca -0.42 -0.21 -0.52 0.00 0.00 0.00 0.00 54.91 53.77 2a1r h ALA 306 Cb 1.25 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 2a1r h ALA 306 CO 0.39 -0.38 0.13 -0.51 0.00 0.00 0.00 179.25 178.88 2a1r s ASP 307 N -5.34 7.08 0.46 0.00 1.01 -1.26 -4.96 116.67 113.67 2a1r s ASP 307 Ca -0.13 1.45 0.22 0.00 0.71 0.00 0.00 52.55 54.81 2a1r s ASP 307 Cb 0.01 -2.43 1.14 0.00 1.01 0.00 0.00 42.92 42.65 2a1r s ASP 307 CO 0.48 0.03 1.96 0.25 0.21 0.00 0.00 175.17 178.10 2a1r h LEU 308 N 3.42 0.00 -0.33 1.23 5.85 -2.00 -2.83 115.31 120.65 2a1r h LEU 308 Ca -0.48 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 2a1r h LEU 308 Cb 1.19 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2a1r h LEU 308 CO 0.65 0.21 0.16 -1.28 -0.34 0.00 0.00 178.44 177.84 2a1r h SER 309 N 0.00 0.44 1.40 1.25 0.87 -1.99 -1.99 113.55 113.54 2a1r h SER 309 Ca -0.00 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 2a1r h SER 309 Cb 0.50 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2a1r h SER 309 CO 0.03 0.45 -0.17 1.05 -0.53 0.00 0.00 176.83 177.65 2a1r h GLU 310 N 0.40 0.00 -0.70 2.24 4.11 -1.95 -2.43 114.58 116.25 2a1r h GLU 310 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.50 2a1r h GLU 310 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2a1r h GLU 310 CO -0.01 0.17 0.27 0.35 0.07 0.00 0.00 179.01 179.86 2a1r h PHE 311 N 0.00 1.08 -0.45 2.06 3.57 -1.24 -2.09 116.94 119.87 2a1r h PHE 311 Ca -0.00 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 2a1r h PHE 311 Cb 0.92 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 2a1r h PHE 311 CO 0.00 0.84 0.20 -0.22 -2.23 0.00 0.00 178.31 176.90 2a1r h LYS 312 N 1.00 0.62 -0.27 1.11 3.11 -0.91 0.24 116.57 121.48 2a1r h LYS 312 Ca 0.23 -0.08 -0.07 0.00 -2.81 0.00 0.00 60.65 57.93 2a1r h LYS 312 Cb 0.23 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.33 2a1r h LYS 312 CO -0.02 0.50 -0.09 0.93 -2.81 0.00 0.00 179.45 177.96 2a1r h GLU 313 N 0.63 0.55 0.17 1.90 5.08 -1.22 -1.93 114.58 119.75 2a1r h GLU 313 Ca 0.16 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2a1r h GLU 313 Cb 0.09 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2a1r h GLU 313 CO -0.02 0.77 -0.08 0.52 -1.00 0.00 0.00 179.01 179.20 2a1r h MET 314 N 0.29 -0.22 -0.94 2.33 2.86 -1.11 -2.65 114.93 115.49 2a1r h MET 314 Ca 0.07 0.02 0.27 0.00 -2.06 0.00 0.00 59.70 57.99 2a1r h MET 314 Cb 0.58 0.05 -0.14 0.00 0.06 0.00 0.00 31.60 32.15 2a1r h MET 314 CO 0.03 -0.11 0.41 1.15 1.06 0.00 0.00 176.91 179.45 2a1r h THR 315 N -0.28 0.34 0.00 2.22 2.02 -0.92 0.21 112.91 116.50 2a1r h THR 315 Ca -0.02 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2a1r h THR 315 Cb 0.22 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.64 2a1r h THR 315 CO 0.04 0.06 -0.07 0.74 0.37 0.00 0.00 175.52 176.66 2a1r h THR 316 N 0.30 0.28 0.08 3.16 2.02 -0.98 0.23 112.91 118.00 2a1r h THR 316 Ca 0.63 -0.45 -0.29 0.00 0.77 0.00 0.00 66.41 67.07 2a1r h THR 316 Cb 1.33 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 2a1r h THR 316 CO -0.61 0.07 -1.47 0.00 0.37 0.00 0.00 175.52 173.87 2a1r h VAL 318 N 0.05 0.97 -2.66 0.00 2.07 -1.17 -3.44 116.25 112.07 2a1r h VAL 318 Ca -0.21 -2.53 -0.59 0.00 0.82 0.00 0.00 66.70 64.18 2a1r h VAL 318 Cb 1.97 2.79 -0.39 0.00 -1.52 0.00 0.00 31.29 34.14 2a1r h VAL 318 CO 0.14 0.86 -0.84 -0.36 0.02 0.00 0.00 177.57 177.39 2a1r s PHE 319 N -2.58 1.34 0.15 1.57 0.40 0.80 -3.87 117.98 115.79 2a1r s PHE 319 Ca -0.15 -2.14 -0.18 0.00 -0.60 0.00 0.00 56.93 53.85 2a1r s PHE 319 Cb 0.05 -1.28 0.03 0.00 0.51 0.00 0.00 43.02 42.33 2a1r s PHE 319 CO 0.86 -0.80 1.70 -1.00 0.70 0.00 0.00 175.22 176.69 2a1r h PRO 320 N 6.43 0.05 -5.13 0.24 0.13 -1.74 -3.39 132.00 128.60 2a1r h PRO 320 Ca 0.11 -0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.59 2a1r h PRO 320 Cb 0.93 -0.01 -0.25 0.00 0.13 0.00 0.00 31.00 31.80 2a1r h PRO 320 CO 0.38 0.03 -0.69 1.03 -0.23 0.00 0.00 178.00 178.52 2a1r s ARG 321 N -6.20 3.52 0.15 0.86 0.52 -1.26 -4.94 118.95 111.61 2a1r s ARG 321 Ca -0.13 -0.57 0.09 0.00 -0.52 0.00 0.00 55.73 54.59 2a1r s ARG 321 Cb 0.12 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 2a1r s ARG 321 CO 0.70 -0.00 -0.20 -1.17 0.02 0.00 0.00 175.30 174.65 2a1r s LEU 322 N 1.00 2.41 -0.21 2.53 2.96 -1.26 -1.45 118.68 124.65 2a1r s LEU 322 Ca 0.01 -0.82 -0.14 0.00 -0.22 0.00 0.00 54.13 52.95 2a1r s LEU 322 Cb -0.15 -0.89 0.06 0.00 0.50 0.00 0.00 46.19 45.72 2a1r s LEU 322 CO 0.01 0.01 0.54 -0.22 -1.32 0.00 0.00 176.35 175.36 2a1r s LEU 323 N -2.50 -0.35 -0.33 -0.68 0.20 -0.83 -0.77 118.68 113.41 2a1r s LEU 323 Ca 0.14 1.15 -0.03 0.00 0.69 0.00 0.00 54.13 56.08 2a1r s LEU 323 Cb -0.07 1.83 0.06 0.00 -0.43 0.00 0.00 46.19 47.58 2a1r s LEU 323 CO 0.07 -0.21 0.06 -0.62 -0.29 0.00 0.00 176.35 175.36 2a1r s ASP 324 N 1.13 5.05 0.57 3.68 -1.08 -1.26 -0.90 116.67 123.87 2a1r s ASP 324 Ca -0.07 -1.41 0.27 0.00 -0.52 0.00 0.00 52.55 50.82 2a1r s ASP 324 Cb -0.06 -1.77 1.58 0.00 -1.46 0.00 0.00 42.92 41.21 2a1r s ASP 324 CO -0.11 -0.33 2.10 0.71 0.52 0.00 0.00 175.17 178.05 2a1r h THR 325 N 6.39 0.58 -0.12 1.71 1.35 -1.46 -0.60 112.91 120.76 2a1r h THR 325 Ca -0.20 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.54 2a1r h THR 325 Cb 1.06 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2a1r h THR 325 CO 0.58 0.00 -0.41 0.50 -0.25 0.00 0.00 175.52 175.94 2a1r h LYS 326 N 0.00 0.49 -0.58 4.72 3.64 -1.87 -1.44 116.57 121.53 2a1r h LYS 326 Ca 0.10 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 2a1r h LYS 326 Cb 0.49 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2a1r h LYS 326 CO -0.00 0.99 0.29 1.25 -2.27 0.00 0.00 179.45 179.71 2a1r h LEU 327 N 0.09 0.74 -0.75 5.20 6.46 -1.73 -2.08 115.31 123.24 2a1r h LEU 327 Ca -0.02 -0.12 0.04 0.00 -0.12 0.00 0.00 57.88 57.66 2a1r h LEU 327 Cb 1.04 -0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.73 2a1r h LEU 327 CO 0.09 0.65 0.47 -0.03 -0.62 0.00 0.00 178.44 178.99 2a1r h MET 328 N 0.78 0.87 0.00 1.25 4.05 -1.11 -2.03 114.93 118.74 2a1r h MET 328 Ca 0.20 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 2a1r h MET 328 Cb 0.09 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 2a1r h MET 328 CO -0.03 0.58 0.00 0.00 0.23 0.00 0.00 176.91 177.69 2a1r h ALA 329 N 1.33 1.00 -0.25 0.39 0.00 -1.10 -2.80 119.26 117.83 2a1r h ALA 329 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2a1r h ALA 329 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2a1r h ALA 329 CO -0.13 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.55 2a1r n SER 330 N -2.49 2.87 -4.42 0.00 7.64 -0.79 -3.65 113.62 112.77 2a1r n SER 330 Ca 0.03 -1.91 -0.33 0.00 1.01 0.00 0.00 58.87 57.67 2a1r n SER 330 Cb 0.32 -0.16 -0.14 0.00 -1.01 0.00 0.00 64.21 63.23 2a1r n SER 330 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2a1r s THR 331 N -1.69 2.98 0.56 0.44 2.01 -1.04 -4.66 115.64 114.24 2a1r s THR 331 Ca 0.35 -0.73 -0.20 0.00 0.31 0.00 0.00 61.69 61.42 2a1r s THR 331 Cb 0.21 -2.19 -0.06 0.00 0.01 0.00 0.00 72.50 70.48 2a1r s THR 331 CO 0.30 0.57 1.08 0.00 -0.69 0.00 0.00 174.62 175.88 2a1r n GLN 332 N 2.76 1.17 -0.00 4.92 6.02 -1.26 -1.38 117.38 129.61 2a1r n GLN 332 Ca -0.17 0.44 0.15 0.00 -0.01 0.00 0.00 57.00 57.40 2a1r n GLN 332 Cb 0.52 -2.26 0.74 0.00 1.02 0.00 0.00 30.24 30.26 2a1r n GLN 332 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2a1r n PRO 333 N -0.88 1.29 0.16 -1.09 -0.04 -1.26 -4.82 135.00 128.37 2a1r n PRO 333 Ca 0.12 -0.43 0.01 0.00 -0.04 0.00 0.00 63.50 63.17 2a1r n PRO 333 Cb 0.45 -1.48 0.30 0.00 -0.04 0.00 0.00 33.50 32.74 2a1r n PRO 333 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2a1r h PHE 334 N 1.02 0.03 -0.84 0.54 -1.00 -1.49 -3.20 116.94 112.00 2a1r h PHE 334 Ca 0.00 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.78 2a1r h PHE 334 Cb 0.22 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.73 2a1r h PHE 334 CO 0.00 0.45 0.56 -0.22 -1.61 0.00 0.00 178.31 177.50 2a1r h LYS 335 N 0.02 1.11 0.00 1.51 3.64 -1.56 0.39 116.57 121.68 2a1r h LYS 335 Ca -0.00 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2a1r h LYS 335 Cb 0.77 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2a1r h LYS 335 CO 0.06 0.73 -0.12 -0.44 -2.27 0.00 0.00 179.45 177.41 2a1r h ASP 336 N 1.14 0.00 0.00 4.20 3.32 -1.88 -3.33 116.42 119.87 2a1r h ASP 336 Ca 0.31 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 57.03 2a1r h ASP 336 Cb -0.13 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.36 2a1r h ASP 336 CO -0.07 0.12 -2.16 -0.38 -1.72 0.00 0.00 179.24 175.04 2a1r n ILE 337 N -3.38 1.15 -2.97 0.35 5.41 -0.73 -4.96 119.36 114.24 2a1r n ILE 337 Ca -0.01 -0.38 -0.41 0.00 1.00 0.00 0.00 62.75 62.96 2a1r n ILE 337 Cb 0.31 -1.46 -0.05 0.00 -0.71 0.00 0.00 39.64 37.74 2a1r n ILE 337 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2a1r s ILE 338 N -2.39 4.91 -0.16 1.39 1.01 0.13 -4.93 121.20 121.16 2a1r s ILE 338 Ca -0.28 1.46 -0.07 0.00 0.00 0.00 0.00 60.65 61.76 2a1r s ILE 338 Cb 0.09 -4.07 -0.23 0.00 0.01 0.00 0.00 42.46 38.26 2a1r s ILE 338 CO 0.42 0.02 0.21 -3.20 0.00 0.00 0.00 174.94 172.40 2a1r n ASN 339 N 5.41 2.06 -4.02 3.58 4.05 -1.26 -4.75 115.26 120.33 2a1r n ASN 339 Ca 0.03 0.17 -0.30 0.00 0.45 0.00 0.00 54.58 54.93 2a1r n ASN 339 Cb 0.49 -0.79 -0.16 0.00 1.23 0.00 0.00 39.78 40.54 2a1r n ASN 339 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 2a1r s ASN 340 N -6.94 2.75 0.00 1.20 3.84 -1.26 -5.02 114.94 109.51 2a1r s ASN 340 Ca -0.26 -0.52 0.22 0.00 0.21 0.00 0.00 52.86 52.50 2a1r s ASN 340 Cb 0.07 -1.20 0.55 0.00 -0.55 0.00 0.00 41.25 40.12 2a1r s ASN 340 CO 0.71 -0.06 1.47 0.35 -2.79 0.00 0.00 177.10 176.77 2a1r n THR 341 N 4.76 0.83 -1.54 -5.21 -2.24 -1.26 -3.51 114.28 106.12 2a1r n THR 341 Ca -0.17 -0.92 -0.35 0.00 -2.27 0.00 0.00 64.05 60.34 2a1r n THR 341 Cb 0.50 0.66 0.08 0.00 -2.10 0.00 0.00 70.33 69.47 2a1r n THR 341 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2a1r s SER 342 N -1.15 4.32 0.19 3.42 1.04 -1.26 -4.76 113.70 115.51 2a1r s SER 342 Ca 0.44 2.45 -0.10 0.00 0.48 0.00 0.00 55.95 59.21 2a1r s SER 342 Cb 0.23 -2.60 0.11 0.00 0.10 0.00 0.00 66.02 63.86 2a1r s SER 342 CO 0.31 -2.18 1.74 0.25 0.98 0.00 0.00 173.24 174.34 2a1r h LEU 343 N -0.01 0.95 -0.33 2.42 5.85 -1.99 0.64 115.31 122.84 2a1r h LEU 343 Ca -0.49 -0.19 -0.13 0.00 0.84 0.00 0.00 57.88 57.92 2a1r h LEU 343 Cb 1.31 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2a1r h LEU 343 CO 0.51 0.88 -0.29 0.00 -0.34 0.00 0.00 178.44 179.20 2a1r h ALA 344 N 1.11 0.48 -0.42 1.25 0.00 -1.96 -2.22 119.26 117.51 2a1r h ALA 344 Ca 0.22 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2a1r h ALA 344 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2a1r h ALA 344 CO -0.01 0.51 -0.11 0.93 0.00 0.00 0.00 179.25 180.57 2a1r h GLU 345 N 0.56 0.81 -0.42 0.00 3.07 -1.80 -2.89 114.58 113.90 2a1r h GLU 345 Ca 0.06 -0.31 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 2a1r h GLU 345 Cb 0.86 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.71 2a1r h GLU 345 CO 0.07 0.93 0.27 1.25 -1.40 0.00 0.00 179.01 180.14 2a1r h LEU 346 N 0.63 0.49 -0.78 1.33 5.85 -0.84 -1.44 115.31 120.55 2a1r h LEU 346 Ca 0.11 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2a1r h LEU 346 Cb 0.64 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 2a1r h LEU 346 CO 0.04 0.37 -0.09 1.05 -0.34 0.00 0.00 178.44 179.47 2a1r h GLU 347 N 0.57 0.00 -0.00 1.25 -0.00 -1.41 -1.85 114.58 113.14 2a1r h GLU 347 Ca 0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 59.36 59.27 2a1r h GLU 347 Cb -0.05 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 28.72 2a1r h GLU 347 CO -0.03 0.09 -0.94 0.87 -0.00 0.00 0.00 179.01 178.99 2a1r h LYS 348 N 0.00 0.64 -0.17 1.06 6.56 -1.27 -3.23 116.57 120.16 2a1r h LYS 348 Ca -0.00 -0.69 -0.12 0.00 -1.06 0.00 0.00 60.65 58.78 2a1r h LYS 348 Cb 0.80 0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 32.64 2a1r h LYS 348 CO 0.01 1.28 -0.40 -0.09 -2.06 0.00 0.00 179.45 178.19 2a1r h ARG 349 N 0.29 0.39 0.00 3.15 9.65 -1.08 -3.08 114.38 123.70 2a1r h ARG 349 Ca -0.12 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.58 2a1r h ARG 349 Cb 1.61 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.19 2a1r h ARG 349 CO 0.19 0.73 0.00 1.28 2.80 0.00 0.00 179.97 184.96 2a1r n LEU 350 N -4.03 0.00 0.09 3.80 4.77 -0.71 -1.84 117.00 119.07 2a1r n LEU 350 Ca -0.01 0.16 -0.01 0.00 -0.03 0.00 0.00 56.01 56.11 2a1r n LEU 350 Cb 0.49 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 2a1r n LEU 350 CO 0.43 -0.04 0.16 0.11 -1.33 0.00 0.00 177.39 176.73 2a1r h LYS 351 N 0.00 0.00 -6.18 3.23 1.57 -1.55 -3.35 116.57 110.29 2a1r h LYS 351 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 2a1r h LYS 351 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2a1r h LYS 351 CO 0.00 0.57 -0.49 -1.21 -0.57 0.00 0.00 179.45 177.75 2a1r s GLU 352 N -2.87 3.16 0.63 3.15 2.02 -0.77 -4.32 118.70 119.71 2a1r s GLU 352 Ca 0.01 -0.87 -0.18 0.00 0.02 0.00 0.00 54.97 53.95 2a1r s GLU 352 Cb 0.08 -2.74 -0.03 0.00 0.10 0.00 0.00 34.13 31.55 2a1r s GLU 352 CO 0.78 0.44 1.15 0.25 0.02 0.00 0.00 175.26 177.90 2a1r n THR 353 N -1.08 4.43 1.42 3.63 -2.24 -1.26 -2.20 114.28 116.97 2a1r n THR 353 Ca -0.08 -0.50 0.06 0.00 -2.27 0.00 0.00 64.05 61.25 2a1r n THR 353 Cb 0.57 -1.35 0.21 0.00 -2.10 0.00 0.00 70.33 67.66 2a1r n THR 353 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2a1r n PRO 354 N -1.52 1.46 -2.32 -0.78 -0.04 -1.26 -5.06 135.00 125.47 2a1r n PRO 354 Ca 0.15 -0.70 -0.27 0.00 -0.04 0.00 0.00 63.50 62.63 2a1r n PRO 354 Cb 0.48 -1.23 0.03 0.00 -0.04 0.00 0.00 33.50 32.74 2a1r n PRO 354 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2a1r s PHE 355 N -1.78 3.31 -0.03 0.54 0.40 -0.93 -4.96 117.98 114.52 2a1r s PHE 355 Ca 0.19 0.75 0.01 0.00 -0.60 0.00 0.00 56.93 57.28 2a1r s PHE 355 Cb 0.10 -2.74 0.02 0.00 0.51 0.00 0.00 43.02 40.91 2a1r s PHE 355 CO 0.14 -0.81 -0.03 -0.80 0.70 0.00 0.00 175.22 174.42 2a1r s ASN 356 N -4.29 0.73 0.35 1.36 0.01 -1.26 -4.46 114.94 107.39 2a1r s ASN 356 Ca 0.54 -0.09 -0.29 0.00 -0.71 0.00 0.00 52.86 52.31 2a1r s ASN 356 Cb -0.11 -0.32 -0.11 0.00 0.41 0.00 0.00 41.25 41.13 2a1r s ASN 356 CO 0.46 -0.04 1.50 -2.16 -1.51 0.00 0.00 177.10 175.35 2a1r s PRO 357 N 0.74 4.13 0.35 -0.60 0.04 -1.26 -4.75 135.00 133.66 2a1r s PRO 357 Ca -0.09 2.54 -0.25 0.00 0.04 0.00 0.00 61.00 63.24 2a1r s PRO 357 Cb -0.12 -2.99 -0.10 0.00 0.04 0.00 0.00 34.50 31.33 2a1r s PRO 357 CO -0.00 -0.53 1.00 -1.25 0.04 0.00 0.00 177.00 176.25 2a1r s PRO 358 N -1.69 4.41 -0.21 0.56 0.04 -1.26 -5.00 135.00 131.86 2a1r s PRO 358 Ca 0.55 1.42 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 2a1r s PRO 358 Cb -0.46 -2.70 0.01 0.00 0.04 0.00 0.00 34.50 31.38 2a1r s PRO 358 CO 0.59 0.10 1.03 0.21 0.04 0.00 0.00 177.00 178.96 2a1r s LYS 359 N -2.23 4.29 -0.02 4.56 2.20 -1.26 -5.00 119.74 122.28 2a1r s LYS 359 Ca 0.53 1.35 -0.05 0.00 -0.36 0.00 0.00 55.97 57.44 2a1r s LYS 359 Cb -0.20 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 2a1r s LYS 359 CO 0.26 -0.57 0.11 0.54 -0.36 0.00 0.00 175.35 175.33 2a1r s VAL 360 N 2.97 0.05 0.03 4.02 0.11 -1.26 -2.06 120.40 124.27 2a1r s VAL 360 Ca 0.44 -0.44 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2a1r s VAL 360 Cb -0.16 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.37 2a1r s VAL 360 CO 0.08 -0.24 0.03 -0.70 -3.33 0.00 0.00 175.10 170.94 2a1r s GLU 361 N -0.80 0.48 0.34 1.54 2.12 -0.38 -4.95 118.70 117.04 2a1r s GLU 361 Ca -0.09 -0.75 -0.13 0.00 0.36 0.00 0.00 54.97 54.37 2a1r s GLU 361 Cb -0.05 0.18 -0.08 0.00 0.26 0.00 0.00 34.13 34.44 2a1r s GLU 361 CO 0.01 -0.10 0.72 0.45 -0.54 0.00 0.00 175.26 175.79 2a1r s SER 362 N -1.96 6.66 0.48 -1.70 0.15 -1.26 -0.69 113.70 115.39 2a1r s SER 362 Ca -0.08 1.17 -0.22 0.00 0.70 0.00 0.00 55.95 57.53 2a1r s SER 362 Cb -0.03 -2.33 -0.07 0.00 -1.71 0.00 0.00 66.02 61.87 2a1r s SER 362 CO -0.04 -0.26 1.15 0.00 1.20 0.00 0.00 173.24 175.30 2a1r s ALA 363 N -2.10 2.89 -0.28 5.45 0.00 -0.42 -4.76 121.76 122.54 2a1r s ALA 363 Ca 0.52 0.90 -0.39 0.00 0.00 0.00 0.00 51.96 53.00 2a1r s ALA 363 Cb -0.10 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.50 2a1r s ALA 363 CO 0.23 -0.69 1.88 -1.91 0.00 0.00 0.00 175.76 175.27 2a1r n GLU 364 N -0.73 1.21 -0.67 0.00 4.07 -1.26 -1.28 120.64 121.97 2a1r n GLU 364 Ca 0.09 0.42 0.00 0.00 -0.06 0.00 0.00 57.16 57.61 2a1r n GLU 364 Cb 0.49 -2.22 0.00 0.00 -0.06 0.00 0.00 31.44 29.64 2a1r n GLU 364 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2a1r n GLY 365 N 4.91 0.71 3.78 8.31 0.00 -1.26 -5.05 105.19 116.59 2a1r n GLY 365 Ca 0.31 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 2a1r n GLY 365 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a1r s PHE 366 N -2.37 3.24 0.84 1.61 0.40 -0.40 -5.11 117.98 116.18 2a1r s PHE 366 Ca 0.00 0.13 -0.12 0.00 -0.60 0.00 0.00 56.93 56.34 2a1r s PHE 366 Cb 0.00 -1.67 0.10 0.00 0.51 0.00 0.00 43.02 41.96 2a1r s PHE 366 CO 0.00 0.53 1.19 -2.14 0.70 0.00 0.00 175.22 175.50 2a1r s PRO 367 N -2.14 1.45 0.23 0.24 0.02 -1.26 -4.70 135.00 128.84 2a1r s PRO 367 Ca 0.27 1.70 -0.11 0.00 0.02 0.00 0.00 61.00 62.88 2a1r s PRO 367 Cb -0.12 -1.76 -0.01 0.00 0.02 0.00 0.00 34.50 32.63 2a1r s PRO 367 CO 0.19 -2.34 0.41 -1.54 -0.33 0.00 0.00 177.00 173.39 2a1r s SER 368 N -2.31 -0.05 0.56 2.53 1.04 -1.26 -4.71 113.70 109.51 2a1r s SER 368 Ca 0.71 -0.97 0.07 0.00 0.48 0.00 0.00 55.95 56.24 2a1r s SER 368 Cb -0.27 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.46 2a1r s SER 368 CO 0.53 -1.07 0.55 -1.22 0.98 0.00 0.00 173.24 173.00 2a1r n TYR 369 N -0.35 -1.14 0.00 5.02 4.02 -1.26 -5.16 117.16 118.29 2a1r n TYR 369 Ca -0.02 -2.28 0.00 0.00 -0.01 0.00 0.00 57.90 55.59 2a1r n TYR 369 Cb 0.63 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 2a1r n TYR 369 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2a1r n GLN 375 N -1.96 0.00 -1.73 -0.72 0.00 -1.26 -5.22 117.38 106.50 2a1r n GLN 375 Ca 0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.62 2a1r n GLN 375 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.83 2a1r n GLN 375 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2a1r s LEU 376 N 0.00 4.39 -0.03 1.69 2.01 -1.26 -4.93 118.68 120.55 2a1r s LEU 376 Ca 0.00 2.78 -0.40 0.00 0.01 0.00 0.00 54.13 56.53 2a1r s LEU 376 Cb 0.00 -3.58 -0.19 0.00 0.01 0.00 0.00 46.19 42.44 2a1r s LEU 376 CO 0.00 -0.99 1.22 1.57 1.01 0.00 0.00 176.35 179.15 2a1r n HIS 377 N 5.20 1.03 -3.64 0.29 -0.00 -1.26 -4.95 115.22 111.88 2a1r n HIS 377 Ca 0.17 0.93 -0.03 0.00 -0.00 0.00 0.00 57.72 58.79 2a1r n HIS 377 Cb 0.37 -2.18 -0.07 0.00 -0.00 0.00 0.00 29.99 28.11 2a1r n HIS 377 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 2a1r s GLU 378 N 0.53 0.25 0.13 1.57 -6.30 -1.26 -4.90 118.70 108.73 2a1r s GLU 378 Ca 0.91 0.35 -0.26 0.00 -2.50 0.00 0.00 54.97 53.47 2a1r s GLU 378 Cb -1.20 0.10 -0.06 0.00 0.00 0.00 0.00 34.13 32.97 2a1r s GLU 378 CO 0.57 -0.04 1.29 0.00 0.02 0.00 0.00 175.26 177.10 2a1r n ALA 379 N 2.54 -0.54 -0.29 6.30 0.00 -1.26 -0.81 120.51 126.45 2a1r n ALA 379 Ca -0.14 0.71 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2a1r n ALA 379 Cb 0.57 -0.12 0.19 0.00 0.00 0.00 0.00 19.45 20.09 2a1r n ALA 379 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2a1r h GLY 380 N 0.00 1.24 0.84 0.00 0.00 -1.86 -0.03 103.07 103.27 2a1r h GLY 380 Ca 0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2a1r h GLY 380 CO -0.79 0.42 0.03 -1.82 0.00 0.00 0.00 176.54 174.39 2a1r h TYR 381 N 1.15 0.15 -0.20 5.60 3.20 -1.34 -1.88 116.97 123.66 2a1r h TYR 381 Ca 0.33 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.13 2a1r h TYR 381 Cb -0.07 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2a1r h TYR 381 CO -0.00 0.28 -0.15 -0.44 -1.64 0.00 0.00 178.16 176.21 2a1r h ASP 382 N -0.02 0.31 -0.56 -2.11 5.19 -0.85 -0.16 116.42 118.23 2a1r h ASP 382 Ca 0.03 -0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.27 2a1r h ASP 382 Cb 0.20 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 2a1r h ASP 382 CO -0.00 0.49 -0.01 0.00 -3.12 0.00 0.00 179.24 176.60 2a1r h ALA 383 N 1.54 0.75 -0.06 3.45 0.00 -0.98 0.63 119.26 124.60 2a1r h ALA 383 Ca 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2a1r h ALA 383 Cb 0.45 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2a1r h ALA 383 CO 0.03 0.59 0.03 -0.92 0.00 0.00 0.00 179.25 178.98 2a1r h TYR 384 N 0.87 0.09 -0.09 0.00 3.20 -0.68 -1.79 116.97 118.57 2a1r h TYR 384 Ca 0.16 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 2a1r h TYR 384 Cb 0.56 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2a1r h TYR 384 CO 0.04 0.17 -0.14 0.82 -1.64 0.00 0.00 178.16 177.41 2a1r h ILE 385 N -0.03 1.15 -0.35 1.81 1.08 -0.88 -1.86 117.51 118.45 2a1r h ILE 385 Ca 0.02 -0.69 -0.12 0.00 -0.39 0.00 0.00 64.86 63.68 2a1r h ILE 385 Cb 0.12 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 2a1r h ILE 385 CO -0.00 0.21 -0.26 0.74 -0.69 0.00 0.00 178.15 178.15 2a1r h THR 386 N 0.13 1.27 -0.14 -0.27 2.02 -0.54 -2.06 112.91 113.32 2a1r h THR 386 Ca 0.03 -1.36 -0.06 0.00 0.77 0.00 0.00 66.41 65.79 2a1r h THR 386 Cb 0.34 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2a1r h THR 386 CO 0.02 0.45 -0.13 1.23 0.37 0.00 0.00 175.52 177.46 2a1r h GLY 387 N 0.98 0.37 1.30 2.16 0.00 -0.68 -2.37 103.07 104.84 2a1r h GLY 387 Ca 0.08 -0.37 0.06 0.00 0.00 0.00 0.00 47.33 47.10 2a1r h GLY 387 CO 0.06 0.33 0.33 1.41 0.00 0.00 0.00 176.54 178.67 2a1r h LEU 388 N -0.03 0.37 0.09 3.11 3.38 -1.25 -1.34 115.31 119.64 2a1r h LEU 388 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2a1r h LEU 388 Cb 0.64 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2a1r h LEU 388 CO 0.03 0.24 -0.04 0.00 0.09 0.00 0.00 178.44 178.76 2a1r h PHE 390 N -0.56 -0.22 -0.95 0.00 3.57 -1.05 -0.79 116.94 116.94 2a1r h PHE 390 Ca -0.01 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2a1r h PHE 390 Cb 0.47 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 2a1r h PHE 390 CO 0.07 -0.22 0.57 0.82 -2.23 0.00 0.00 178.31 177.32 2a1r h ILE 391 N 0.03 1.26 -0.14 1.41 2.04 -1.20 0.37 117.51 121.28 2a1r h ILE 391 Ca 0.28 -0.57 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 2a1r h ILE 391 Cb 0.44 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2a1r h ILE 391 CO -0.56 0.28 -0.48 0.28 0.00 0.00 0.00 178.15 177.67 2a1r h SER 392 N 1.31 0.38 -0.08 1.72 0.02 -0.87 -2.46 113.55 113.57 2a1r h SER 392 Ca 0.34 -0.18 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 2a1r h SER 392 Cb -0.05 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.39 2a1r h SER 392 CO -0.06 0.81 -0.53 0.24 -1.14 0.00 0.00 176.83 176.15 2a1r h MET 393 N 0.28 0.50 -0.46 3.45 2.86 -0.27 -2.45 114.93 118.84 2a1r h MET 393 Ca 0.02 -0.43 0.06 0.00 -2.06 0.00 0.00 59.70 57.28 2a1r h MET 393 Cb 0.95 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.66 2a1r h MET 393 CO 0.08 1.06 0.17 0.00 1.06 0.00 0.00 176.91 179.28 2a1r h ALA 394 N 0.44 0.56 -0.60 6.32 0.00 -0.29 -2.48 119.26 123.20 2a1r h ALA 394 Ca -0.04 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2a1r h ALA 394 Cb 1.18 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2a1r h ALA 394 CO 0.11 -0.22 0.00 -0.91 0.00 0.00 0.00 179.25 178.23 2a1r h ASN 395 N 0.35 1.04 -0.72 0.00 2.35 -1.49 -2.33 115.58 114.77 2a1r h ASN 395 Ca 0.21 -0.31 0.11 0.00 -0.55 0.00 0.00 56.30 55.77 2a1r h ASN 395 Cb 0.20 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.25 2a1r h ASN 395 CO -0.21 1.09 0.48 0.22 -1.65 0.00 0.00 177.43 177.36 2a1r h TYR 396 N 0.96 0.60 0.00 1.19 3.20 -1.01 0.11 116.97 122.01 2a1r h TYR 396 Ca 0.17 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 2a1r h TYR 396 Cb 0.56 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 2a1r h TYR 396 CO 0.04 0.27 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.70 2a1r h LEU 397 N 0.56 0.00 -2.76 2.82 3.38 -0.99 -2.02 115.31 116.30 2a1r h LEU 397 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2a1r h LEU 397 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2a1r h LEU 397 CO -0.12 0.06 0.03 1.23 0.09 0.00 0.00 178.44 179.74 2a1r h GLY 398 N 0.25 0.00 1.41 0.83 0.00 -0.75 -2.29 103.07 102.52 2a1r h GLY 398 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2a1r h GLY 398 CO 0.01 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.41 2a1r n SER 399 N -3.31 0.00 -1.70 0.19 3.41 -0.76 -1.14 113.62 110.31 2a1r n SER 399 Ca -0.03 -0.22 0.09 0.00 -0.26 0.00 0.00 58.87 58.45 2a1r n SER 399 Cb 0.11 -0.21 0.38 0.00 -0.26 0.00 0.00 64.21 64.22 2a1r n SER 399 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2a1r n PHE 400 N -1.21 1.69 -4.24 7.33 3.01 -0.86 -4.86 117.46 118.33 2a1r n PHE 400 Ca 0.13 -0.64 -0.24 0.00 1.01 0.00 0.00 57.45 57.71 2a1r n PHE 400 Cb 0.15 -0.33 -0.07 0.00 -0.01 0.00 0.00 39.48 39.22 2a1r n PHE 400 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2a1r s LEU 401 N -2.12 3.34 -0.22 4.37 1.43 -1.13 -5.06 118.68 119.29 2a1r s LEU 401 Ca 0.53 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2a1r s LEU 401 Cb 0.36 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 44.73 2a1r s LEU 401 CO 0.22 0.02 -0.03 -0.94 0.23 0.00 0.00 176.35 175.86 2a1r s SER 402 N -3.48 3.59 0.73 2.29 1.04 -1.26 -1.87 113.70 114.74 2a1r s SER 402 Ca 0.30 -1.08 -0.11 0.00 0.48 0.00 0.00 55.95 55.54 2a1r s SER 402 Cb -0.08 -1.02 0.03 0.00 0.10 0.00 0.00 66.02 65.06 2a1r s SER 402 CO 0.20 -0.26 1.07 -2.16 0.98 0.00 0.00 173.24 173.08 2a1r s PRO 403 N 1.52 2.63 0.43 4.02 0.04 -1.26 -5.12 135.00 137.27 2a1r s PRO 403 Ca -0.04 0.91 -0.24 0.00 0.04 0.00 0.00 61.00 61.66 2a1r s PRO 403 Cb -0.18 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 2a1r s PRO 403 CO -0.07 -1.30 1.19 -1.25 0.04 0.00 0.00 177.00 175.61 2a1r s PRO 404 N -5.05 3.89 -0.09 0.56 0.04 -0.78 -5.03 135.00 128.53 2a1r s PRO 404 Ca 0.59 1.86 -0.03 0.00 0.04 0.00 0.00 61.00 63.46 2a1r s PRO 404 Cb -0.15 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.80 2a1r s PRO 404 CO 0.55 -0.46 0.03 0.15 0.04 0.00 0.00 177.00 177.30 2a1r s LYS 405 N -2.47 3.09 0.09 4.56 1.02 -0.29 -4.97 119.74 120.76 2a1r s LYS 405 Ca 0.60 -0.36 0.23 0.00 0.02 0.00 0.00 55.97 56.47 2a1r s LYS 405 Cb -0.31 -2.88 0.10 0.00 -0.52 0.00 0.00 37.83 34.23 2a1r s LYS 405 CO 0.38 0.70 1.08 -0.89 -0.92 0.00 0.00 175.35 175.71 2a1r n ILE 406 N 2.15 0.28 -4.15 2.17 5.41 -1.26 -3.87 119.36 120.09 2a1r n ILE 406 Ca -0.19 -0.31 -0.24 0.00 1.00 0.00 0.00 62.75 63.01 2a1r n ILE 406 Cb 0.54 0.03 -0.17 0.00 -0.71 0.00 0.00 39.64 39.33 2a1r n ILE 406 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 2a1r s HIS 407 N -3.23 1.24 -0.11 1.39 2.46 -1.26 -4.83 115.29 110.95 2a1r s HIS 407 Ca 0.03 -0.51 0.02 0.00 0.47 0.00 0.00 55.06 55.08 2a1r s HIS 407 Cb 0.13 -1.02 -0.01 0.00 -0.13 0.00 0.00 32.58 31.55 2a1r s HIS 407 CO 0.78 -0.36 -0.19 0.08 -2.47 0.00 0.00 174.74 172.58 2a1r s VAL 408 N 1.26 2.51 0.73 0.89 1.01 -1.26 -5.02 120.40 120.53 2a1r s VAL 408 Ca -0.04 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 2a1r s VAL 408 Cb -0.14 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.27 2a1r s VAL 408 CO -0.03 0.55 1.07 -0.55 0.00 0.00 0.00 175.10 176.14 2a1r s SER 409 N 0.31 5.01 0.03 3.32 0.15 -1.26 -4.70 113.70 116.57 2a1r s SER 409 Ca -0.14 1.58 0.20 0.00 0.70 0.00 0.00 55.95 58.29 2a1r s SER 409 Cb -0.17 -2.40 0.85 0.00 -1.71 0.00 0.00 66.02 62.59 2a1r s SER 409 CO 0.07 -1.67 1.64 0.00 1.20 0.00 0.00 173.24 174.48 2a1r n ALA 410 N -3.27 1.89 1.00 5.45 0.00 -1.26 -2.78 120.51 121.54 2a1r n ALA 410 Ca 0.08 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.57 2a1r n ALA 410 Cb 0.54 -1.33 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 2a1r n ALA 410 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2a1r n ARG 411 N -1.61 0.05 -1.65 0.00 1.74 -1.26 -4.97 116.66 108.96 2a1r n ARG 411 Ca 0.05 -0.04 -0.38 0.00 -0.77 0.00 0.00 57.85 56.71 2a1r n ARG 411 Cb 0.24 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.23 2a1r n ARG 411 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2a1r n SER 412 N -1.44 1.32 0.20 0.55 2.88 -1.12 -4.89 113.62 111.12 2a1r n SER 412 Ca 0.04 0.87 0.15 0.00 -1.33 0.00 0.00 58.87 58.60 2a1r n SER 412 Cb 0.34 -1.44 0.56 0.00 -0.75 0.00 0.00 64.21 62.92 2a1r n SER 412 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2a1r h LYS 413 N 0.81 0.00 0.00 -1.46 1.57 -1.95 -2.57 116.57 112.97 2a1r h LYS 413 Ca -0.49 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2a1r h LYS 413 Cb 1.35 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.66 2a1r h LYS 413 CO 0.53 0.00 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.34 2a1r h LEU 414 N 0.00 0.00 0.00 2.94 3.38 -1.95 -2.92 115.31 116.76 2a1r h LEU 414 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2a1r h LEU 414 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2a1r h LEU 414 CO 0.00 0.00 -1.51 -0.38 0.09 0.00 0.00 178.44 176.65 2a1r n ILE 415 N -4.29 0.30 -0.27 1.22 5.41 -0.97 -4.52 119.36 116.24 2a1r n ILE 415 Ca -0.03 -0.52 0.08 0.00 1.00 0.00 0.00 62.75 63.28 2a1r n ILE 415 Cb 0.09 -0.16 0.22 0.00 -0.71 0.00 0.00 39.64 39.08 2a1r n ILE 415 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2a1r h GLU 416 N 0.00 0.25 0.00 0.38 5.08 -1.55 0.10 114.58 118.84 2a1r h GLU 416 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2a1r h GLU 416 Cb 0.99 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2a1r h GLU 416 CO 0.00 0.16 0.04 -0.35 -1.00 0.00 0.00 179.01 177.87 2a1r n PRO 417 N -5.18 0.05 0.00 2.33 -0.04 -1.26 -2.07 135.00 128.84 2a1r n PRO 417 Ca 0.17 0.53 0.09 0.00 -0.04 0.00 0.00 63.50 64.25 2a1r n PRO 417 Cb 0.53 -1.72 -0.06 0.00 -0.04 0.00 0.00 33.50 32.21 2a1r n PRO 417 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2a1r n PHE 418 N -1.78 0.00 -1.58 0.54 3.01 0.36 -5.02 117.46 112.99 2a1r n PHE 418 Ca -0.01 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.12 2a1r n PHE 418 Cb 0.05 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.59 2a1r n PHE 418 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2a1r s PHE 419 N -2.51 2.37 -1.56 1.38 2.99 -0.88 -4.06 117.98 115.70 2a1r s PHE 419 Ca 0.10 1.58 -0.04 0.00 0.00 0.00 0.00 56.93 58.57 2a1r s PHE 419 Cb 0.14 -3.28 0.04 0.00 0.00 0.00 0.00 43.02 39.92 2a1r s PHE 419 CO 0.65 -2.07 0.22 0.09 -0.00 0.00 0.00 175.22 174.11 2a1r n ASN 420 N -2.62 0.05 -3.89 1.36 3.02 0.05 -4.97 115.26 108.26 2a1r n ASN 420 Ca 0.11 -1.19 -0.20 0.00 -0.03 0.00 0.00 54.58 53.27 2a1r n ASN 420 Cb 0.51 -2.03 -0.16 0.00 -0.61 0.00 0.00 39.78 37.49 2a1r n ASN 420 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2a1r s LYS 421 N -7.14 0.82 0.00 3.52 1.02 -1.26 -5.03 119.74 111.67 2a1r s LYS 421 Ca 0.15 -0.10 0.08 0.00 0.02 0.00 0.00 55.97 56.12 2a1r s LYS 421 Cb -0.08 -0.85 0.13 0.00 -0.52 0.00 0.00 37.83 36.51 2a1r s LYS 421 CO 0.97 -0.09 0.96 1.47 -0.92 0.00 0.00 175.35 177.74 2a1r n LEU 422 N 4.10 0.13 -0.55 3.17 -0.00 -1.26 -4.23 117.00 118.36 2a1r n LEU 422 Ca -0.24 -1.47 0.07 0.00 -0.00 0.00 0.00 56.01 54.37 2a1r n LEU 422 Cb 0.51 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.98 2a1r n LEU 422 CO 0.23 0.68 0.47 0.49 -0.00 0.00 0.00 177.39 179.25