#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg6 s PRO 4 N 0.00 4.32 0.16 1.20 0.02 -1.26 -4.97 135.00 134.47 1sg6 s PRO 4 Ca 0.00 2.10 -0.30 0.00 0.02 0.00 0.00 61.00 62.82 1sg6 s PRO 4 Cb 0.00 -3.23 -0.07 0.00 0.02 0.00 0.00 34.50 31.21 1sg6 s PRO 4 CO 0.00 -0.43 1.14 0.99 -0.33 0.00 0.00 177.00 178.37 1sg6 s THR 5 N 0.98 3.83 0.00 0.99 2.01 -0.63 -4.81 115.64 118.02 1sg6 s THR 5 Ca 0.64 1.53 0.06 0.00 0.31 0.00 0.00 61.69 64.23 1sg6 s THR 5 Cb -0.37 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 1sg6 s THR 5 CO 0.31 0.24 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.76 1sg6 s LYS 6 N -0.12 2.20 -0.04 4.92 1.02 -1.26 -0.49 119.74 125.97 1sg6 s LYS 6 Ca 0.52 -0.89 0.04 0.00 0.02 0.00 0.00 55.97 55.65 1sg6 s LYS 6 Cb -0.30 -2.21 -0.00 0.00 -0.52 0.00 0.00 37.83 34.79 1sg6 s LYS 6 CO 0.34 0.57 -0.14 0.42 -0.92 0.00 0.00 175.35 175.62 1sg6 s ILE 7 N -0.81 1.23 0.14 2.17 1.01 -0.46 -5.00 121.20 119.47 1sg6 s ILE 7 Ca 0.13 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 1sg6 s ILE 7 Cb -0.10 -1.07 -0.07 0.00 0.01 0.00 0.00 42.46 41.23 1sg6 s ILE 7 CO 0.03 0.36 0.49 -0.44 0.00 0.00 0.00 174.94 175.38 1sg6 s SER 8 N 0.12 6.70 -0.05 3.58 0.01 -1.26 -1.92 113.70 120.89 1sg6 s SER 8 Ca -0.04 0.92 -0.01 0.00 1.31 0.00 0.00 55.95 58.13 1sg6 s SER 8 Cb -0.11 -2.23 0.03 0.00 0.21 0.00 0.00 66.02 63.92 1sg6 s SER 8 CO 0.02 0.08 0.01 -0.51 0.41 0.00 0.00 173.24 173.25 1sg6 s ILE 9 N -1.53 0.21 -1.48 1.44 2.07 0.13 -4.69 121.20 117.36 1sg6 s ILE 9 Ca 0.39 0.18 -0.07 0.00 -1.41 0.00 0.00 60.65 59.73 1sg6 s ILE 9 Cb -0.14 -0.37 0.02 0.00 0.13 0.00 0.00 42.46 42.11 1sg6 s ILE 9 CO 0.20 0.21 0.76 0.18 -1.91 0.00 0.00 174.94 174.38 1sg6 n LEU 10 N 4.87 -2.68 0.00 8.50 4.77 -1.26 -2.19 117.00 129.01 1sg6 n LEU 10 Ca -0.12 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 1sg6 n LEU 10 Cb 0.50 -2.84 0.00 0.00 -2.33 0.00 0.00 43.42 38.75 1sg6 n LEU 10 CO 0.13 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1sg6 n GLY 11 N -1.61 1.62 3.55 -0.72 0.00 -1.26 -5.04 105.19 101.73 1sg6 n GLY 11 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1sg6 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sg6 s ARG 12 N -0.24 2.49 -1.31 1.61 0.52 -0.93 -5.05 118.95 116.04 1sg6 s ARG 12 Ca 0.00 -0.74 -0.14 0.00 -0.52 0.00 0.00 55.73 54.33 1sg6 s ARG 12 Cb 0.00 -2.44 0.11 0.00 0.52 0.00 0.00 34.95 33.14 1sg6 s ARG 12 CO 0.00 0.60 1.80 0.39 0.02 0.00 0.00 175.30 178.12 1sg6 n GLU 13 N 1.79 3.26 0.08 3.54 1.02 -1.26 0.21 120.64 129.27 1sg6 n GLU 13 Ca -0.16 -3.33 0.07 0.00 -0.02 0.00 0.00 57.16 53.72 1sg6 n GLU 13 Cb 0.52 -3.20 -0.03 0.00 -0.02 0.00 0.00 31.44 28.71 1sg6 n GLU 13 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1sg6 n SER 14 N 6.14 0.85 -4.70 1.62 3.41 -1.17 -4.85 113.62 114.93 1sg6 n SER 14 Ca 0.44 0.35 -0.40 0.00 -0.26 0.00 0.00 58.87 59.00 1sg6 n SER 14 Cb 0.41 0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 64.66 1sg6 n SER 14 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1sg6 s ILE 15 N -3.21 5.06 -0.13 -1.33 1.01 -0.81 0.49 121.20 122.27 1sg6 s ILE 15 Ca -0.01 1.28 0.00 0.00 0.00 0.00 0.00 60.65 61.92 1sg6 s ILE 15 Cb 0.09 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.61 1sg6 s ILE 15 CO 0.80 0.21 -0.13 -0.63 0.00 0.00 0.00 174.94 175.19 1sg6 s ILE 16 N 1.19 1.43 0.01 2.92 1.09 -0.41 -1.36 121.20 126.07 1sg6 s ILE 16 Ca 0.33 -0.55 0.04 0.00 -1.10 0.00 0.00 60.65 59.37 1sg6 s ILE 16 Cb -0.17 -1.36 -0.01 0.00 -1.06 0.00 0.00 42.46 39.87 1sg6 s ILE 16 CO 0.14 0.43 -0.13 0.00 -0.10 0.00 0.00 174.94 175.28 1sg6 s ALA 17 N 1.48 1.09 0.00 9.38 0.00 0.36 -0.56 121.76 133.51 1sg6 s ALA 17 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1sg6 s ALA 17 Cb -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1sg6 s ALA 17 CO -0.09 0.24 0.00 -3.47 0.00 0.00 0.00 175.76 172.44 1sg6 n ASP 18 N 2.46 0.00 -4.72 0.00 2.03 -0.78 -1.60 116.55 113.94 1sg6 n ASP 18 Ca -0.15 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.74 1sg6 n ASP 18 Cb 0.55 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.92 1sg6 n ASP 18 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1sg6 s PHE 19 N -2.00 3.41 0.00 -0.67 0.08 -1.26 -3.62 117.98 113.92 1sg6 s PHE 19 Ca 0.00 1.27 0.00 0.00 0.12 0.00 0.00 56.93 58.32 1sg6 s PHE 19 Cb 0.00 -3.46 0.00 0.00 -0.57 0.00 0.00 43.02 38.99 1sg6 s PHE 19 CO 0.00 -1.42 0.00 0.41 -0.10 0.00 0.00 175.22 174.11 1sg6 n GLY 20 N 3.16 0.77 0.38 4.36 0.00 -1.26 -4.97 105.19 107.63 1sg6 n GLY 20 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1sg6 n GLY 20 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sg6 h LEU 21 N 0.00 1.12 -0.86 0.99 3.38 -1.91 -2.45 115.31 115.57 1sg6 h LEU 21 Ca 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1sg6 h LEU 21 Cb 0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1sg6 h LEU 21 CO 0.00 0.79 0.40 -0.25 0.09 0.00 0.00 178.44 179.46 1sg6 h TRP 22 N 1.31 1.22 -0.06 1.13 2.91 -1.94 0.42 115.95 120.94 1sg6 h TRP 22 Ca 0.38 -0.06 -0.21 0.00 1.13 0.00 0.00 58.89 60.13 1sg6 h TRP 22 Cb -0.08 -0.38 0.00 0.00 -0.51 0.00 0.00 29.16 28.20 1sg6 h TRP 22 CO -0.00 0.89 -0.83 0.00 -1.03 0.00 0.00 178.44 177.47 1sg6 h ARG 23 N 1.21 0.51 0.00 2.65 3.08 -1.90 -3.41 114.38 116.52 1sg6 h ARG 23 Ca 0.29 -0.47 -0.09 0.00 0.07 0.00 0.00 59.98 59.79 1sg6 h ARG 23 Cb 0.13 0.11 -0.19 0.00 0.08 0.00 0.00 29.97 30.11 1sg6 h ARG 23 CO -0.04 1.10 -0.76 0.27 -1.07 0.00 0.00 179.97 179.48 1sg6 n ASN 24 N -3.83 0.48 0.00 7.04 2.04 -0.95 -4.96 115.26 115.07 1sg6 n ASN 24 Ca -0.06 -2.00 0.00 0.00 -0.44 0.00 0.00 54.58 52.08 1sg6 n ASN 24 Cb 0.77 -0.25 0.00 0.00 -2.53 0.00 0.00 39.78 37.77 1sg6 n ASN 24 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1sg6 n TYR 25 N 0.24 0.00 0.07 -2.53 4.19 -0.02 -4.93 117.16 114.19 1sg6 n TYR 25 Ca 0.03 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 61.11 1sg6 n TYR 25 Cb 0.91 0.38 -0.05 0.00 0.49 0.00 0.00 39.34 41.07 1sg6 n TYR 25 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1sg6 h VAL 26 N 0.00 0.29 -0.29 2.97 2.07 -1.38 -1.04 116.25 118.86 1sg6 h VAL 26 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1sg6 h VAL 26 Cb 0.12 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 30.10 1sg6 h VAL 26 CO 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.26 1sg6 h ALA 27 N 0.19 -0.27 -0.72 1.67 0.00 -1.84 0.10 119.26 118.39 1sg6 h ALA 27 Ca 0.05 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1sg6 h ALA 27 Cb 0.58 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1sg6 h ALA 27 CO -0.26 -0.76 0.37 0.87 0.00 0.00 0.00 179.25 179.48 1sg6 h LYS 28 N -0.31 1.01 -0.44 0.00 6.56 -1.85 -2.50 116.57 119.05 1sg6 h LYS 28 Ca 0.14 -0.13 -0.08 0.00 -1.06 0.00 0.00 60.65 59.52 1sg6 h LYS 28 Cb 0.54 -0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 31.99 1sg6 h LYS 28 CO -0.46 0.77 -0.04 0.22 -2.06 0.00 0.00 179.45 177.88 1sg6 h ASP 29 N 0.99 0.71 -0.39 0.86 3.58 -0.47 -1.94 116.42 119.77 1sg6 h ASP 29 Ca 0.25 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 1sg6 h ASP 29 Cb 0.07 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1sg6 h ASP 29 CO -0.04 0.81 0.05 -0.07 -2.88 0.00 0.00 179.24 177.11 1sg6 h LEU 30 N 0.69 0.63 -0.73 2.28 3.38 -0.59 0.32 115.31 121.29 1sg6 h LEU 30 Ca 0.13 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1sg6 h LEU 30 Cb 0.48 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1sg6 h LEU 30 CO 0.02 0.74 0.07 0.40 0.09 0.00 0.00 178.44 179.77 1sg6 h ILE 31 N 0.49 1.26 0.07 1.22 1.08 -1.22 0.15 117.51 120.55 1sg6 h ILE 31 Ca 0.12 -1.05 -0.31 0.00 -0.39 0.00 0.00 64.86 63.22 1sg6 h ILE 31 Cb 0.39 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 1sg6 h ILE 31 CO 0.01 0.39 -1.69 0.77 -0.69 0.00 0.00 178.15 176.94 1sg6 h SER 32 N 0.97 0.22 0.03 1.72 4.64 -1.31 -3.30 113.55 116.53 1sg6 h SER 32 Ca 0.19 -0.41 -0.13 0.00 -0.47 0.00 0.00 61.79 60.97 1sg6 h SER 32 Cb 0.46 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 1sg6 h SER 32 CO 0.02 1.35 -2.11 0.47 -0.87 0.00 0.00 176.83 175.69 1sg6 n ASP 33 N -3.30 0.03 -2.47 4.97 9.92 0.11 -4.48 116.55 121.34 1sg6 n ASP 33 Ca -0.20 0.01 -0.20 0.00 -0.53 0.00 0.00 54.79 53.88 1sg6 n ASP 33 Cb 1.04 1.59 0.02 0.00 -0.64 0.00 0.00 41.12 43.12 1sg6 n ASP 33 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sg6 n SER 35 N -0.44 0.83 -3.69 0.00 2.88 -1.13 -4.69 113.62 107.38 1sg6 n SER 35 Ca 0.30 1.14 -0.05 0.00 -1.33 0.00 0.00 58.87 58.92 1sg6 n SER 35 Cb 0.77 -1.09 -0.02 0.00 -0.75 0.00 0.00 64.21 63.13 1sg6 n SER 35 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1sg6 s SER 36 N 0.12 -0.25 0.16 -3.46 0.15 -1.26 -5.02 113.70 104.13 1sg6 s SER 36 Ca 0.83 -0.32 0.22 0.00 0.70 0.00 0.00 55.95 57.38 1sg6 s SER 36 Cb -1.04 0.50 -0.07 0.00 -1.71 0.00 0.00 66.02 63.71 1sg6 s SER 36 CO 0.52 -0.90 0.93 0.35 1.20 0.00 0.00 173.24 175.34 1sg6 n THR 37 N -0.42 0.55 -4.15 6.45 -2.24 -1.26 -4.71 114.28 108.50 1sg6 n THR 37 Ca -0.07 -0.55 -0.20 0.00 -2.27 0.00 0.00 64.05 60.96 1sg6 n THR 37 Cb 0.61 -0.30 -0.16 0.00 -2.10 0.00 0.00 70.33 68.37 1sg6 n THR 37 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1sg6 s THR 38 N -3.37 0.56 -0.09 4.28 2.01 -1.26 -1.03 115.64 116.74 1sg6 s THR 38 Ca -0.02 -0.13 0.04 0.00 0.31 0.00 0.00 61.69 61.89 1sg6 s THR 38 Cb 0.10 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 72.02 1sg6 s THR 38 CO 0.81 0.24 -0.23 -0.31 -0.69 0.00 0.00 174.62 174.44 1sg6 s TYR 39 N 0.98 2.42 -0.20 4.92 1.51 -0.11 -1.38 117.35 125.50 1sg6 s TYR 39 Ca -0.10 -0.97 -0.01 0.00 -1.01 0.00 0.00 57.07 54.98 1sg6 s TYR 39 Cb -0.14 -1.63 0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1sg6 s TYR 39 CO -0.00 -0.39 -0.12 0.08 -1.11 0.00 0.00 175.55 174.01 1sg6 s VAL 40 N 0.35 2.72 -0.22 0.71 1.01 -0.37 -0.55 120.40 124.04 1sg6 s VAL 40 Ca -0.18 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 1sg6 s VAL 40 Cb -0.17 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1sg6 s VAL 40 CO 0.08 0.45 0.10 -0.22 0.00 0.00 0.00 175.10 175.51 1sg6 s LEU 41 N 1.38 3.76 -0.10 3.92 0.20 0.49 0.53 118.68 128.86 1sg6 s LEU 41 Ca 0.05 -0.02 0.02 0.00 0.69 0.00 0.00 54.13 54.87 1sg6 s LEU 41 Cb -0.14 -1.99 -0.01 0.00 -0.43 0.00 0.00 46.19 43.62 1sg6 s LEU 41 CO -0.08 0.06 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.18 1sg6 s VAL 42 N 1.06 2.70 0.33 1.68 1.01 -0.14 -0.78 120.40 126.26 1sg6 s VAL 42 Ca 0.05 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 1sg6 s VAL 42 Cb -0.14 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 34.20 1sg6 s VAL 42 CO 0.04 0.55 0.63 1.07 0.00 0.00 0.00 175.10 177.39 1sg6 n THR 43 N 3.30 0.00 -3.78 3.92 5.66 -0.91 -1.05 114.28 121.41 1sg6 n THR 43 Ca -0.18 -0.97 -0.22 0.00 -3.05 0.00 0.00 64.05 59.63 1sg6 n THR 43 Cb 0.53 0.87 -0.05 0.00 -1.55 0.00 0.00 70.33 70.12 1sg6 n THR 43 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1sg6 s ASP 44 N -2.79 4.83 0.50 1.09 1.47 -1.26 -0.76 116.67 119.75 1sg6 s ASP 44 Ca 0.16 -0.85 0.21 0.00 1.18 0.00 0.00 52.55 53.25 1sg6 s ASP 44 Cb -0.04 -0.56 1.30 0.00 -0.34 0.00 0.00 42.92 43.28 1sg6 s ASP 44 CO 0.12 -0.59 2.07 0.71 0.68 0.00 0.00 175.17 178.16 1sg6 h THR 45 N 1.19 0.84 0.27 2.11 1.35 -1.67 0.10 112.91 117.11 1sg6 h THR 45 Ca -0.42 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 64.98 1sg6 h THR 45 Cb 1.26 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1sg6 h THR 45 CO 0.62 0.12 -0.13 0.78 -0.25 0.00 0.00 175.52 176.65 1sg6 h ASN 46 N 0.00 -0.31 -0.08 5.36 2.35 -1.96 -2.76 115.58 118.18 1sg6 h ASN 46 Ca -0.00 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1sg6 h ASN 46 Cb 0.25 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1sg6 h ASN 46 CO 0.02 0.13 0.02 0.40 -1.65 0.00 0.00 177.43 176.34 1sg6 h ILE 47 N -0.82 1.20 -0.61 2.81 2.04 -1.93 -3.26 117.51 116.94 1sg6 h ILE 47 Ca -0.04 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.23 1sg6 h ILE 47 Cb 0.51 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 1sg6 h ILE 47 CO 0.06 0.18 0.37 1.23 0.00 0.00 0.00 178.15 179.99 1sg6 h GLY 48 N -0.10 0.88 1.84 5.37 0.00 -0.91 -1.14 103.07 109.01 1sg6 h GLY 48 Ca 0.02 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.09 1sg6 h GLY 48 CO 0.00 0.22 0.07 1.48 0.00 0.00 0.00 176.54 178.31 1sg6 h SER 49 N 0.72 0.00 0.04 0.19 4.64 -1.53 -0.16 113.55 117.46 1sg6 h SER 49 Ca 0.25 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.19 1sg6 h SER 49 Cb 0.05 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.09 1sg6 h SER 49 CO -0.12 0.00 -2.24 -0.38 -0.87 0.00 0.00 176.83 173.22 1sg6 n ILE 50 N -3.36 1.60 0.36 0.95 5.41 -0.77 -4.75 119.36 118.80 1sg6 n ILE 50 Ca -0.02 -0.55 0.06 0.00 1.00 0.00 0.00 62.75 63.23 1sg6 n ILE 50 Cb 0.15 -1.61 -0.08 0.00 -0.71 0.00 0.00 39.64 37.39 1sg6 n ILE 50 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1sg6 n TYR 51 N -3.50 0.00 -0.09 1.39 4.01 -0.50 -4.71 117.16 113.75 1sg6 n TYR 51 Ca -0.41 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.19 1sg6 n TYR 51 Cb 0.98 -0.09 -0.04 0.00 -0.31 0.00 0.00 39.34 39.88 1sg6 n TYR 51 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1sg6 h THR 52 N 0.00 1.29 -0.42 -0.72 2.02 -1.23 -3.25 112.91 110.60 1sg6 h THR 52 Ca 0.00 -1.58 0.07 0.00 0.77 0.00 0.00 66.41 65.67 1sg6 h THR 52 Cb 0.37 1.56 -0.06 0.00 -1.74 0.00 0.00 68.15 68.28 1sg6 h THR 52 CO 0.00 0.51 0.05 -0.65 0.37 0.00 0.00 175.52 175.80 1sg6 h PRO 53 N 0.59 0.16 -0.44 6.66 0.11 -1.84 -0.68 132.00 136.57 1sg6 h PRO 53 Ca 0.04 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.08 1sg6 h PRO 53 Cb 0.99 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1sg6 h PRO 53 CO 0.09 0.11 0.03 0.66 -0.21 0.00 0.00 178.00 178.68 1sg6 h SER 54 N 0.17 0.65 -0.36 -2.05 4.64 -1.88 -2.94 113.55 111.79 1sg6 h SER 54 Ca 0.21 -0.14 -0.17 0.00 -0.47 0.00 0.00 61.79 61.22 1sg6 h SER 54 Cb 0.27 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1sg6 h SER 54 CO -0.30 0.71 -0.43 0.15 -0.87 0.00 0.00 176.83 176.09 1sg6 h PHE 55 N 0.66 1.12 -0.95 4.77 3.57 -1.46 -0.84 116.94 123.80 1sg6 h PHE 55 Ca 0.14 -0.35 0.08 0.00 3.53 0.00 0.00 57.97 61.37 1sg6 h PHE 55 Cb 0.37 -0.23 -0.07 0.00 2.79 0.00 0.00 35.95 38.81 1sg6 h PHE 55 CO 0.02 1.18 0.61 0.93 -2.23 0.00 0.00 178.31 178.82 1sg6 h GLU 56 N 0.74 1.00 -0.11 1.11 5.08 -0.97 0.39 114.58 121.82 1sg6 h GLU 56 Ca 0.05 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1sg6 h GLU 56 Cb 1.03 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1sg6 h GLU 56 CO 0.10 0.66 -0.17 1.49 -1.00 0.00 0.00 179.01 180.10 1sg6 h GLU 57 N 1.03 0.31 -0.97 2.33 4.57 -1.37 -0.81 114.58 119.68 1sg6 h GLU 57 Ca 0.43 -0.18 0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1sg6 h GLU 57 Cb 0.30 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 1sg6 h GLU 57 CO -0.19 0.76 0.64 0.00 -1.18 0.00 0.00 179.01 179.04 1sg6 h ALA 58 N 0.55 1.23 -0.03 2.92 0.00 -0.46 -0.02 119.26 123.44 1sg6 h ALA 58 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1sg6 h ALA 58 Cb 0.73 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sg6 h ALA 58 CO 0.04 0.61 0.00 0.35 0.00 0.00 0.00 179.25 180.25 1sg6 h PHE 59 N 1.30 0.06 -0.49 0.00 3.57 -0.21 -1.47 116.94 119.70 1sg6 h PHE 59 Ca 0.36 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.94 1sg6 h PHE 59 Cb -0.14 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.51 1sg6 h PHE 59 CO -0.00 0.35 0.04 0.00 -2.23 0.00 0.00 178.31 176.46 1sg6 h ARG 60 N -0.24 0.15 -0.24 1.11 3.08 -0.74 0.45 114.38 117.95 1sg6 h ARG 60 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sg6 h ARG 60 Cb 0.32 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1sg6 h ARG 60 CO 0.00 0.10 0.15 -0.22 -1.07 0.00 0.00 179.97 178.94 1sg6 h LYS 61 N 0.16 0.31 -0.35 0.04 3.64 -0.94 -1.94 116.57 117.48 1sg6 h LYS 61 Ca 0.25 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.47 1sg6 h LYS 61 Cb 0.36 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1sg6 h LYS 61 CO -0.37 0.20 -0.35 -0.09 -2.27 0.00 0.00 179.45 176.56 1sg6 h ARG 62 N 0.31 0.79 0.00 1.90 9.65 -0.33 -2.99 114.38 123.72 1sg6 h ARG 62 Ca 0.09 -0.39 -0.00 0.00 -1.10 0.00 0.00 59.98 58.57 1sg6 h ARG 62 Cb -0.03 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1sg6 h ARG 62 CO -0.03 1.02 -0.02 0.00 2.80 0.00 0.00 179.97 183.74 1sg6 h ALA 63 N 0.94 1.00 -0.44 2.80 0.00 -0.04 -3.09 119.26 120.43 1sg6 h ALA 63 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1sg6 h ALA 63 Cb 0.90 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1sg6 h ALA 63 CO 0.08 0.03 0.19 0.00 0.00 0.00 0.00 179.25 179.55 1sg6 h ALA 64 N 1.98 1.52 0.00 0.00 0.00 -1.19 -2.04 119.26 119.53 1sg6 h ALA 64 Ca -0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1sg6 h ALA 64 Cb 0.60 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1sg6 h ALA 64 CO 0.00 0.38 -0.30 1.49 0.00 0.00 0.00 179.25 180.83 1sg6 h GLU 65 N 0.61 0.00 -6.32 0.00 4.81 -1.66 -3.44 114.58 108.58 1sg6 h GLU 65 Ca 0.15 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.83 1sg6 h GLU 65 Cb 0.10 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1sg6 h GLU 65 CO -0.02 0.30 -0.19 0.42 -0.73 0.00 0.00 179.01 178.79 1sg6 s ILE 66 N -3.76 5.02 -0.11 2.32 1.09 -0.77 -5.09 121.20 119.90 1sg6 s ILE 66 Ca -0.01 0.35 -0.05 0.00 -1.10 0.00 0.00 60.65 59.85 1sg6 s ILE 66 Cb 0.11 -3.63 0.05 0.00 -1.06 0.00 0.00 42.46 37.94 1sg6 s ILE 66 CO 0.66 0.01 0.25 0.28 -0.10 0.00 0.00 174.94 176.04 1sg6 s THR 67 N -1.71 -0.22 0.44 2.92 -1.32 -1.26 -3.10 115.64 111.39 1sg6 s THR 67 Ca 0.44 0.22 -0.24 0.00 -1.21 0.00 0.00 61.69 60.89 1sg6 s THR 67 Cb -0.12 -0.40 -0.08 0.00 -1.51 0.00 0.00 72.50 70.39 1sg6 s THR 67 CO 0.22 0.09 1.27 -2.16 -2.21 0.00 0.00 174.62 171.83 1sg6 s PRO 68 N 1.83 3.78 0.18 7.08 0.04 -1.26 -5.10 135.00 141.54 1sg6 s PRO 68 Ca -0.04 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 1sg6 s PRO 68 Cb -0.11 -2.58 -0.08 0.00 0.04 0.00 0.00 34.50 31.77 1sg6 s PRO 68 CO -0.08 -0.61 1.23 -1.12 0.04 0.00 0.00 177.00 176.45 1sg6 s SER 69 N -0.96 7.03 0.88 6.66 0.01 -1.18 -5.02 113.70 121.12 1sg6 s SER 69 Ca 0.61 2.27 -0.12 0.00 1.31 0.00 0.00 55.95 60.02 1sg6 s SER 69 Cb -0.36 -2.61 0.12 0.00 0.21 0.00 0.00 66.02 63.39 1sg6 s SER 69 CO 0.44 -0.42 1.11 -2.16 0.41 0.00 0.00 173.24 172.62 1sg6 s PRO 70 N -0.11 1.38 0.13 12.44 0.04 -1.26 -5.06 135.00 142.55 1sg6 s PRO 70 Ca 0.54 0.53 0.08 0.00 0.04 0.00 0.00 61.00 62.19 1sg6 s PRO 70 Cb -0.34 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1sg6 s PRO 70 CO 0.37 -2.08 -0.13 -0.98 0.04 0.00 0.00 177.00 174.22 1sg6 s ARG 71 N -5.14 1.99 -0.20 4.56 1.70 -0.19 -4.98 118.95 116.69 1sg6 s ARG 71 Ca 0.63 -1.15 0.01 0.00 -0.47 0.00 0.00 55.73 54.75 1sg6 s ARG 71 Cb -0.16 -2.20 0.03 0.00 -0.57 0.00 0.00 34.95 32.06 1sg6 s ARG 71 CO 0.55 0.48 -0.16 -1.17 -1.08 0.00 0.00 175.30 173.91 1sg6 s LEU 72 N -2.37 2.42 -0.08 -1.89 2.96 -1.26 -0.93 118.68 117.52 1sg6 s LEU 72 Ca 0.21 -0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 53.28 1sg6 s LEU 72 Cb -0.10 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1sg6 s LEU 72 CO 0.13 -0.07 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.29 1sg6 s LEU 73 N 1.28 3.32 -0.08 -0.68 1.43 0.29 -5.00 118.68 119.24 1sg6 s LEU 73 Ca 0.01 0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1sg6 s LEU 73 Cb -0.15 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 1sg6 s LEU 73 CO -0.10 0.35 -0.22 -0.63 0.23 0.00 0.00 176.35 175.97 1sg6 s ILE 74 N -0.71 1.88 -0.16 -0.59 1.01 -1.26 -0.38 121.20 120.99 1sg6 s ILE 74 Ca 0.11 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.84 1sg6 s ILE 74 Cb -0.11 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.75 1sg6 s ILE 74 CO 0.02 0.52 -0.20 -0.47 0.00 0.00 0.00 174.94 174.81 1sg6 s TYR 75 N 0.22 2.74 -0.30 3.97 6.14 0.04 -4.98 117.35 125.18 1sg6 s TYR 75 Ca -0.13 -1.45 -0.06 0.00 0.64 0.00 0.00 57.07 56.07 1sg6 s TYR 75 Cb -0.16 -1.88 0.02 0.00 0.42 0.00 0.00 41.96 40.36 1sg6 s TYR 75 CO 0.06 -0.69 0.08 -0.80 0.64 0.00 0.00 175.55 174.84 1sg6 s ASN 76 N 1.06 5.12 0.42 4.32 0.01 -1.26 -2.14 114.94 122.47 1sg6 s ASN 76 Ca -0.01 -0.84 0.01 0.00 -0.71 0.00 0.00 52.86 51.31 1sg6 s ASN 76 Cb -0.14 -1.86 -0.01 0.00 0.41 0.00 0.00 41.25 39.65 1sg6 s ASN 76 CO -0.07 -0.23 0.62 -0.13 -1.51 0.00 0.00 177.10 175.79 1sg6 s ARG 77 N 1.46 3.11 0.52 -0.60 1.81 0.06 -4.81 118.95 120.49 1sg6 s ARG 77 Ca 0.01 -0.56 -0.20 0.00 -1.72 0.00 0.00 55.73 53.26 1sg6 s ARG 77 Cb -0.18 -2.61 -0.07 0.00 -0.45 0.00 0.00 34.95 31.64 1sg6 s ARG 77 CO 0.02 -0.17 1.10 -2.14 -0.68 0.00 0.00 175.30 173.43 1sg6 s PRO 78 N -4.47 3.54 0.82 3.54 0.02 -1.26 -1.80 135.00 135.39 1sg6 s PRO 78 Ca 0.47 1.54 -0.11 0.00 0.02 0.00 0.00 61.00 62.92 1sg6 s PRO 78 Cb -0.10 -2.07 0.08 0.00 0.02 0.00 0.00 34.50 32.44 1sg6 s PRO 78 CO 0.36 -0.69 1.09 -1.25 -0.33 0.00 0.00 177.00 176.19 1sg6 s PRO 79 N -3.22 1.90 0.00 5.54 0.04 -1.26 -4.66 135.00 133.35 1sg6 s PRO 79 Ca 0.70 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1sg6 s PRO 79 Cb -0.22 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1sg6 s PRO 79 CO 0.25 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.91 1sg6 n GLY 80 N -1.61 2.44 0.21 0.56 0.00 -1.26 -4.71 105.19 100.82 1sg6 n GLY 80 Ca 0.07 -1.78 0.15 0.00 0.00 0.00 0.00 46.02 44.45 1sg6 n GLY 80 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1sg6 h GLU 81 N 0.00 0.00 -0.28 1.61 4.11 -1.99 -2.54 114.58 115.49 1sg6 h GLU 81 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.51 1sg6 h GLU 81 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1sg6 h GLU 81 CO 0.00 0.00 0.21 -0.39 0.07 0.00 0.00 179.01 178.90 1sg6 h VAL 82 N 0.00 0.84 0.00 -1.06 -1.51 -1.93 -1.18 116.25 111.40 1sg6 h VAL 82 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1sg6 h VAL 82 Cb 0.10 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 1sg6 h VAL 82 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 175.14 1sg6 n SER 83 N -4.42 0.55 -3.87 4.19 7.64 -0.96 -4.17 113.62 112.58 1sg6 n SER 83 Ca 0.04 0.58 -0.42 0.00 1.01 0.00 0.00 58.87 60.08 1sg6 n SER 83 Cb 0.37 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1sg6 n SER 83 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1sg6 n LYS 84 N -2.05 3.20 -4.23 1.43 4.81 -0.45 -4.55 118.16 116.32 1sg6 n LYS 84 Ca 0.04 -3.06 -0.14 0.00 -0.87 0.00 0.00 58.31 54.29 1sg6 n LYS 84 Cb 0.32 -3.15 -0.10 0.00 0.02 0.00 0.00 35.03 32.13 1sg6 n LYS 84 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1sg6 s SER 85 N 2.33 0.49 0.22 3.14 1.04 -1.26 -1.07 113.70 118.59 1sg6 s SER 85 Ca 0.44 -1.41 -0.09 0.00 0.48 0.00 0.00 55.95 55.37 1sg6 s SER 85 Cb 0.11 0.35 0.18 0.00 0.10 0.00 0.00 66.02 66.76 1sg6 s SER 85 CO -0.04 -0.83 1.88 0.03 0.98 0.00 0.00 173.24 175.26 1sg6 h ARG 86 N 2.53 1.11 -0.35 4.02 3.08 -1.90 -1.77 114.38 121.10 1sg6 h ARG 86 Ca -0.36 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.60 1sg6 h ARG 86 Cb 1.25 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 1sg6 h ARG 86 CO 0.54 0.76 0.21 0.37 -1.07 0.00 0.00 179.97 180.78 1sg6 h GLN 87 N 1.13 0.47 -0.53 0.04 5.75 -1.96 -0.35 115.11 119.66 1sg6 h GLN 87 Ca 0.30 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.64 1sg6 h GLN 87 Cb -0.08 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 1sg6 h GLN 87 CO -0.06 0.35 -0.13 1.15 -2.65 0.00 0.00 178.83 177.48 1sg6 h THR 88 N 0.45 1.27 -0.26 2.39 2.02 -1.76 0.65 112.91 117.67 1sg6 h THR 88 Ca 0.12 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 66.02 1sg6 h THR 88 Cb -0.00 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1sg6 h THR 88 CO -0.02 0.45 0.17 0.50 0.37 0.00 0.00 175.52 176.99 1sg6 h LYS 89 N 0.89 0.34 -0.61 6.66 3.64 -1.08 -1.18 116.57 125.23 1sg6 h LYS 89 Ca 0.13 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1sg6 h LYS 89 Cb 0.70 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1sg6 h LYS 89 CO 0.05 0.22 0.26 0.00 -2.27 0.00 0.00 179.45 177.71 1sg6 h ALA 90 N 1.10 0.79 -0.58 5.00 0.00 -0.86 -2.09 119.26 122.63 1sg6 h ALA 90 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sg6 h ALA 90 Cb -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1sg6 h ALA 90 CO -0.03 0.38 0.37 -0.44 0.00 0.00 0.00 179.25 179.54 1sg6 h ASP 91 N 0.84 0.67 -0.48 0.00 3.32 -0.54 -0.01 116.42 120.22 1sg6 h ASP 91 Ca 0.20 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1sg6 h ASP 91 Cb 0.17 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1sg6 h ASP 91 CO -0.02 0.50 0.18 0.40 -1.72 0.00 0.00 179.24 178.59 1sg6 h ILE 92 N 0.78 1.21 0.04 0.35 2.04 -1.08 -1.34 117.51 119.51 1sg6 h ILE 92 Ca 0.21 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 1sg6 h ILE 92 Cb -0.06 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1sg6 h ILE 92 CO -0.04 0.25 -0.02 -0.33 0.00 0.00 0.00 178.15 178.00 1sg6 h GLU 93 N 0.63 -0.06 -0.70 2.37 5.08 -1.02 -0.45 114.58 120.42 1sg6 h GLU 93 Ca 0.16 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1sg6 h GLU 93 Cb 0.21 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1sg6 h GLU 93 CO -0.01 -0.01 0.42 -0.44 -1.00 0.00 0.00 179.01 177.97 1sg6 h ASP 94 N -0.08 0.67 -0.70 1.42 3.32 -0.91 0.64 116.42 120.77 1sg6 h ASP 94 Ca -0.01 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1sg6 h ASP 94 Cb 0.07 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1sg6 h ASP 94 CO 0.01 0.45 0.41 -0.25 -1.72 0.00 0.00 179.24 178.14 1sg6 h TRP 95 N 0.80 0.94 -0.55 4.55 7.01 -0.98 0.25 115.95 127.97 1sg6 h TRP 95 Ca 0.30 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.20 1sg6 h TRP 95 Cb 0.10 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.83 1sg6 h TRP 95 CO -0.05 0.65 0.01 0.52 -2.79 0.00 0.00 178.44 176.78 1sg6 h MET 96 N 0.96 0.96 0.00 2.65 2.86 -0.30 -2.73 114.93 119.33 1sg6 h MET 96 Ca 0.25 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1sg6 h MET 96 Cb -0.01 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 1sg6 h MET 96 CO -0.04 0.96 -0.01 -0.07 1.06 0.00 0.00 176.91 178.80 1sg6 h LEU 97 N 0.84 0.00 -0.17 1.22 3.38 -0.54 -1.66 115.31 118.38 1sg6 h LEU 97 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1sg6 h LEU 97 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1sg6 h LEU 97 CO 0.03 0.01 -0.20 -1.20 0.09 0.00 0.00 178.44 177.16 1sg6 n SER 98 N -3.11 0.46 -4.73 -0.43 7.64 0.04 -4.59 113.62 108.90 1sg6 n SER 98 Ca 0.01 -0.34 -0.31 0.00 1.01 0.00 0.00 58.87 59.24 1sg6 n SER 98 Cb 0.33 -0.05 0.12 0.00 -1.01 0.00 0.00 64.21 63.61 1sg6 n SER 98 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1sg6 s GLN 99 N -2.70 1.71 -0.32 1.43 -1.52 -1.16 -4.89 119.66 112.22 1sg6 s GLN 99 Ca 0.21 1.09 0.03 0.00 -1.95 0.00 0.00 55.36 54.75 1sg6 s GLN 99 Cb 0.19 -1.84 0.09 0.00 -0.22 0.00 0.00 33.01 31.23 1sg6 s GLN 99 CO 0.54 -2.00 0.01 -0.80 -0.25 0.00 0.00 175.29 172.79 1sg6 s ASN 100 N -3.30 4.61 0.81 5.90 -0.87 -1.26 -0.90 114.94 119.94 1sg6 s ASN 100 Ca 0.63 -1.91 -0.12 0.00 -1.57 0.00 0.00 52.86 49.89 1sg6 s ASN 100 Cb -0.18 -1.55 0.08 0.00 -0.02 0.00 0.00 41.25 39.58 1sg6 s ASN 100 CO 0.57 -0.33 1.13 -2.16 -2.57 0.00 0.00 177.10 173.74 1sg6 s PRO 101 N 1.01 2.00 0.78 -0.60 0.04 -1.26 -5.11 135.00 131.86 1sg6 s PRO 101 Ca 0.06 0.36 -0.14 0.00 0.04 0.00 0.00 61.00 61.32 1sg6 s PRO 101 Cb -0.19 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.48 1sg6 s PRO 101 CO -0.08 -1.62 1.23 -2.14 0.04 0.00 0.00 177.00 174.43 1sg6 s PRO 102 N -5.36 1.77 0.11 0.56 0.02 -0.07 -4.90 135.00 127.14 1sg6 s PRO 102 Ca 0.61 1.83 -0.31 0.00 0.02 0.00 0.00 61.00 63.15 1sg6 s PRO 102 Cb -0.13 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.53 1sg6 s PRO 102 CO 0.52 -2.13 1.42 0.00 -0.33 0.00 0.00 177.00 176.48 1sg6 n GLY 104 N 3.55 2.32 0.17 0.00 0.00 -1.26 -4.80 105.19 105.17 1sg6 n GLY 104 Ca 0.12 -2.08 0.13 0.00 0.00 0.00 0.00 46.02 44.19 1sg6 n GLY 104 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sg6 h ARG 105 N 0.00 0.00 -0.01 1.61 3.08 -1.93 -2.32 114.38 114.81 1sg6 h ARG 105 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sg6 h ARG 105 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1sg6 h ARG 105 CO 0.00 0.00 -0.21 -0.40 -1.07 0.00 0.00 179.97 178.29 1sg6 n ASP 106 N -2.41 0.94 -4.68 7.04 5.75 -1.26 -4.68 116.55 117.24 1sg6 n ASP 106 Ca 0.01 -0.86 -0.43 0.00 -0.01 0.00 0.00 54.79 53.50 1sg6 n ASP 106 Cb 0.20 0.09 -0.01 0.00 -1.03 0.00 0.00 41.12 40.36 1sg6 n ASP 106 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1sg6 n THR 107 N -0.67 1.66 -3.95 2.12 -1.04 -0.87 -4.64 114.28 106.89 1sg6 n THR 107 Ca 0.13 -0.41 -0.35 0.00 -2.04 0.00 0.00 64.05 61.38 1sg6 n THR 107 Cb 0.33 -1.51 -0.14 0.00 -1.82 0.00 0.00 70.33 67.19 1sg6 n THR 107 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1sg6 s VAL 108 N -0.75 2.94 0.03 12.58 1.01 -0.48 -3.44 120.40 132.29 1sg6 s VAL 108 Ca 0.60 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 1sg6 s VAL 108 Cb -0.60 -2.51 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 1sg6 s VAL 108 CO 0.58 0.17 0.51 -0.69 0.00 0.00 0.00 175.10 175.66 1sg6 s VAL 109 N 1.33 4.88 -0.24 2.92 1.01 -0.42 -1.24 120.40 128.64 1sg6 s VAL 109 Ca -0.00 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.04 1sg6 s VAL 109 Cb -0.17 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.41 1sg6 s VAL 109 CO -0.04 0.54 -0.08 -0.63 0.00 0.00 0.00 175.10 174.89 1sg6 s ILE 110 N -0.92 2.73 -0.75 2.22 1.01 0.19 -0.31 121.20 125.37 1sg6 s ILE 110 Ca 0.27 -1.06 -0.18 0.00 0.00 0.00 0.00 60.65 59.68 1sg6 s ILE 110 Cb -0.18 -2.38 0.13 0.00 0.01 0.00 0.00 42.46 40.04 1sg6 s ILE 110 CO 0.16 0.22 0.87 0.00 0.00 0.00 0.00 174.94 176.20 1sg6 s ALA 111 N 1.30 3.50 -0.59 9.38 0.00 -0.32 -0.96 121.76 134.07 1sg6 s ALA 111 Ca -0.00 -2.58 -0.17 0.00 0.00 0.00 0.00 51.96 49.21 1sg6 s ALA 111 Cb -0.16 -3.72 0.13 0.00 0.00 0.00 0.00 23.12 19.36 1sg6 s ALA 111 CO -0.05 -2.58 0.62 -1.17 0.00 0.00 0.00 175.76 172.58 1sg6 s LEU 112 N 2.33 5.90 0.00 0.00 2.96 -0.22 -0.65 118.68 128.99 1sg6 s LEU 112 Ca 0.20 -1.73 0.00 0.00 -0.22 0.00 0.00 54.13 52.38 1sg6 s LEU 112 Cb -0.15 -2.25 0.00 0.00 0.50 0.00 0.00 46.19 44.29 1sg6 s LEU 112 CO -0.01 -0.94 0.00 0.61 -1.32 0.00 0.00 176.35 174.68 1sg6 n GLY 113 N 5.17 -0.98 0.00 7.98 0.00 -1.05 -4.15 105.19 112.16 1sg6 n GLY 113 Ca -0.09 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1sg6 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sg6 n GLY 114 N 0.00 0.53 0.23 -0.02 0.00 -1.26 -1.11 105.19 103.56 1sg6 n GLY 114 Ca 0.00 -1.74 0.06 0.00 0.00 0.00 0.00 46.02 44.33 1sg6 n GLY 114 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sg6 h GLY 115 N 0.00 0.04 0.79 -0.02 0.00 -1.94 0.74 103.07 102.68 1sg6 h GLY 115 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 1sg6 h GLY 115 CO 0.00 0.02 -0.37 -2.08 0.00 0.00 0.00 176.54 174.11 1sg6 h VAL 116 N 0.04 0.04 -0.82 4.60 2.07 -1.96 0.26 116.25 120.47 1sg6 h VAL 116 Ca 0.01 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1sg6 h VAL 116 Cb 0.25 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 1sg6 h VAL 116 CO 0.02 0.00 0.42 0.40 0.02 0.00 0.00 177.57 178.43 1sg6 h ILE 117 N -1.25 1.25 0.03 4.57 1.08 -1.88 -1.80 117.51 119.51 1sg6 h ILE 117 Ca -0.11 -0.66 0.01 0.00 -0.39 0.00 0.00 64.86 63.72 1sg6 h ILE 117 Cb 0.80 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 1sg6 h ILE 117 CO 0.17 0.29 -0.08 1.23 -0.69 0.00 0.00 178.15 179.07 1sg6 h GLY 118 N 1.18 -0.13 0.92 5.37 0.00 -0.81 0.13 103.07 109.72 1sg6 h GLY 118 Ca 0.28 0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 1sg6 h GLY 118 CO -0.04 -0.09 0.02 -0.55 0.00 0.00 0.00 176.54 175.87 1sg6 h ASP 119 N -0.16 0.04 0.39 0.19 5.19 -0.76 -1.04 116.42 120.26 1sg6 h ASP 119 Ca 0.02 -0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.33 1sg6 h ASP 119 Cb 0.19 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1sg6 h ASP 119 CO -0.06 0.11 -0.20 0.25 -3.12 0.00 0.00 179.24 176.22 1sg6 h LEU 120 N -0.04 -0.48 -0.78 1.55 5.85 -1.24 -2.37 115.31 117.80 1sg6 h LEU 120 Ca 0.01 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1sg6 h LEU 120 Cb 0.08 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1sg6 h LEU 120 CO -0.00 -0.33 0.37 0.74 -0.34 0.00 0.00 178.44 178.88 1sg6 h THR 121 N -0.54 1.25 -0.60 1.05 2.02 -0.76 -1.21 112.91 114.12 1sg6 h THR 121 Ca -0.05 -0.70 -0.04 0.00 0.77 0.00 0.00 66.41 66.39 1sg6 h THR 121 Cb 0.42 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1sg6 h THR 121 CO 0.07 0.30 0.20 1.23 0.37 0.00 0.00 175.52 177.69 1sg6 h GLY 122 N 1.10 0.96 1.05 2.16 0.00 -1.15 -0.93 103.07 106.26 1sg6 h GLY 122 Ca 0.27 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 1sg6 h GLY 122 CO -0.03 0.49 -0.33 -2.75 0.00 0.00 0.00 176.54 173.92 1sg6 h PHE 123 N 0.87 0.99 -0.40 5.60 3.57 -1.04 -1.43 116.94 125.10 1sg6 h PHE 123 Ca 0.20 -0.29 0.05 0.00 3.53 0.00 0.00 57.97 61.46 1sg6 h PHE 123 Cb 0.24 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 1sg6 h PHE 123 CO 0.02 1.08 0.12 0.28 -2.23 0.00 0.00 178.31 177.58 1sg6 h VAL 124 N 0.61 0.85 -0.64 1.41 2.07 -0.84 -2.19 116.25 117.53 1sg6 h VAL 124 Ca 0.06 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1sg6 h VAL 124 Cb 0.91 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1sg6 h VAL 124 CO 0.08 0.05 0.25 0.00 0.02 0.00 0.00 177.57 177.97 1sg6 h ALA 125 N 1.27 1.24 0.00 1.67 0.00 -0.99 -1.84 119.26 120.61 1sg6 h ALA 125 Ca 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1sg6 h ALA 125 Cb 0.19 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1sg6 h ALA 125 CO -0.21 0.56 -0.12 0.66 0.00 0.00 0.00 179.25 180.14 1sg6 h SER 126 N 0.92 0.00 -0.00 0.00 4.64 -0.62 0.37 113.55 118.85 1sg6 h SER 126 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1sg6 h SER 126 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1sg6 h SER 126 CO -0.02 0.12 -0.05 0.35 -0.87 0.00 0.00 176.83 176.36 1sg6 n THR 127 N -3.83 0.00 -2.07 2.95 -2.24 -1.10 -3.16 114.28 104.83 1sg6 n THR 127 Ca -0.02 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 1sg6 n THR 127 Cb 0.22 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 1sg6 n THR 127 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1sg6 s TYR 128 N -0.62 1.90 -1.46 4.78 5.04 -0.71 -2.03 117.35 124.24 1sg6 s TYR 128 Ca 0.05 0.66 -0.07 0.00 -2.44 0.00 0.00 57.07 55.26 1sg6 s TYR 128 Cb 0.04 -4.16 0.03 0.00 0.35 0.00 0.00 41.96 38.22 1sg6 s TYR 128 CO 0.08 -2.67 0.65 -1.33 -1.34 0.00 0.00 175.55 170.94 1sg6 n MET 129 N 8.48 -4.78 -1.00 4.97 2.81 -1.26 -1.29 117.12 125.05 1sg6 n MET 129 Ca 0.21 0.76 -0.00 0.00 -1.81 0.00 0.00 57.70 56.86 1sg6 n MET 129 Cb 0.48 -5.60 -0.00 0.00 -0.71 0.00 0.00 33.22 27.39 1sg6 n MET 129 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1sg6 n ARG 130 N -4.08 -0.14 0.00 0.03 1.74 -0.86 -4.89 116.66 108.47 1sg6 n ARG 130 Ca -0.06 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1sg6 n ARG 130 Cb 0.59 -3.21 0.00 0.00 -1.02 0.00 0.00 32.46 28.82 1sg6 n ARG 130 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sg6 n GLY 131 N -2.73 3.68 3.26 -0.13 0.00 -0.41 -4.74 105.19 104.12 1sg6 n GLY 131 Ca -0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 1sg6 n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sg6 s VAL 132 N 0.00 0.90 0.59 1.61 -7.23 0.11 -4.88 120.40 111.51 1sg6 s VAL 132 Ca 0.00 -2.01 -0.18 0.00 -1.81 0.00 0.00 61.98 57.98 1sg6 s VAL 132 Cb 0.00 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 1sg6 s VAL 132 CO 0.00 -0.55 1.13 -0.13 -0.31 0.00 0.00 175.10 175.24 1sg6 s ARG 133 N -3.85 3.09 0.04 4.82 0.52 -1.22 -4.58 118.95 117.77 1sg6 s ARG 133 Ca 0.22 1.55 -0.23 0.00 -0.52 0.00 0.00 55.73 56.75 1sg6 s ARG 133 Cb 0.05 -1.98 0.05 0.00 0.52 0.00 0.00 34.95 33.60 1sg6 s ARG 133 CO 0.03 -1.05 0.53 1.52 0.02 0.00 0.00 175.30 176.36 1sg6 s TYR 134 N -1.97 -0.45 0.13 -0.53 1.13 -1.26 -1.30 117.35 113.10 1sg6 s TYR 134 Ca 0.71 0.53 0.09 0.00 -1.41 0.00 0.00 57.07 56.99 1sg6 s TYR 134 Cb -0.23 0.35 -0.04 0.00 -1.10 0.00 0.00 41.96 40.94 1sg6 s TYR 134 CO 0.33 -0.64 -0.22 0.14 -2.51 0.00 0.00 175.55 172.65 1sg6 s VAL 135 N -2.33 1.92 -0.15 -3.49 -7.23 0.58 -0.61 120.40 109.08 1sg6 s VAL 135 Ca -0.06 -1.72 -0.07 0.00 -1.81 0.00 0.00 61.98 58.32 1sg6 s VAL 135 Cb -0.01 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1sg6 s VAL 135 CO -0.01 -0.09 0.08 -1.10 -0.31 0.00 0.00 175.10 173.67 1sg6 s GLN 136 N -2.21 3.71 -0.56 4.82 -1.52 -0.43 -1.17 119.66 122.30 1sg6 s GLN 136 Ca 0.11 -0.29 0.06 0.00 -1.95 0.00 0.00 55.36 53.29 1sg6 s GLN 136 Cb -0.09 -3.16 0.20 0.00 -0.22 0.00 0.00 33.01 29.75 1sg6 s GLN 136 CO 0.06 0.46 0.52 0.28 -0.25 0.00 0.00 175.29 176.36 1sg6 n VAL 137 N 2.95 0.65 -1.70 1.09 0.31 0.17 -0.72 118.33 121.09 1sg6 n VAL 137 Ca -0.18 -4.43 -0.42 0.00 -0.01 0.00 0.00 64.34 59.30 1sg6 n VAL 137 Cb 0.53 -1.99 -0.03 0.00 -0.91 0.00 0.00 33.84 31.44 1sg6 n VAL 137 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1sg6 n PRO 138 N 1.80 2.80 0.00 5.55 -0.04 -1.25 -2.54 135.00 141.32 1sg6 n PRO 138 Ca 0.25 1.01 0.07 0.00 -0.04 0.00 0.00 63.50 64.80 1sg6 n PRO 138 Cb 0.43 -2.90 -0.02 0.00 -0.04 0.00 0.00 33.50 30.97 1sg6 n PRO 138 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sg6 n THR 139 N 4.51 0.00 -4.24 0.52 -2.24 -0.27 -4.65 114.28 107.92 1sg6 n THR 139 Ca 0.17 -0.30 -0.23 0.00 -2.27 0.00 0.00 64.05 61.42 1sg6 n THR 139 Cb 0.37 1.12 -0.07 0.00 -2.10 0.00 0.00 70.33 69.65 1sg6 n THR 139 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1sg6 s THR 140 N -1.92 3.73 0.12 4.28 -4.23 -1.26 -4.53 115.64 111.83 1sg6 s THR 140 Ca 0.10 -1.70 -0.15 0.00 -1.18 0.00 0.00 61.69 58.76 1sg6 s THR 140 Cb 0.11 -2.98 -0.02 0.00 1.34 0.00 0.00 72.50 70.95 1sg6 s THR 140 CO 0.43 -0.32 1.59 0.25 -0.54 0.00 0.00 174.62 176.03 1sg6 h LEU 141 N 1.95 0.63 -0.81 4.79 5.85 -1.91 -1.51 115.31 124.30 1sg6 h LEU 141 Ca -0.46 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.03 1sg6 h LEU 141 Cb 1.24 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1sg6 h LEU 141 CO 0.60 0.75 0.51 0.25 -0.34 0.00 0.00 178.44 180.20 1sg6 h LEU 142 N 0.49 0.82 -0.99 2.25 6.46 -1.85 -1.89 115.31 120.60 1sg6 h LEU 142 Ca 0.11 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.79 1sg6 h LEU 142 Cb 0.40 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1sg6 h LEU 142 CO 0.01 0.55 -0.19 0.00 -0.62 0.00 0.00 178.44 178.19 1sg6 h ALA 143 N 1.36 1.15 -0.48 1.25 0.00 -1.89 0.50 119.26 121.15 1sg6 h ALA 143 Ca 0.34 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1sg6 h ALA 143 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1sg6 h ALA 143 CO -0.14 0.54 -0.14 0.52 0.00 0.00 0.00 179.25 180.02 1sg6 h MET 144 N 0.47 0.91 0.00 0.00 2.86 -0.49 -1.67 114.93 117.01 1sg6 h MET 144 Ca 0.08 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1sg6 h MET 144 Cb 0.59 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1sg6 h MET 144 CO 0.04 0.99 -1.72 1.33 1.06 0.00 0.00 176.91 178.61 1sg6 n VAL 145 N -4.14 0.00 0.00 -2.22 0.24 -0.93 -4.76 118.33 106.52 1sg6 n VAL 145 Ca 0.01 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1sg6 n VAL 145 Cb 0.41 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 1sg6 n VAL 145 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1sg6 n ASP 146 N -2.05 0.00 -0.14 -1.34 2.03 0.15 -4.31 116.55 110.89 1sg6 n ASP 146 Ca -0.02 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.44 1sg6 n ASP 146 Cb 0.48 0.00 0.51 0.00 -0.72 0.00 0.00 41.12 41.39 1sg6 n ASP 146 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1sg6 h SER 147 N 0.00 0.37 0.88 1.67 4.64 -1.62 -2.30 113.55 117.19 1sg6 h SER 147 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1sg6 h SER 147 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1sg6 h SER 147 CO 0.00 0.20 0.00 -1.54 -0.87 0.00 0.00 176.83 174.62 1sg6 n SER 148 N -4.47 0.00 -4.62 4.97 3.41 -0.63 -4.77 113.62 107.51 1sg6 n SER 148 Ca 0.13 0.42 -0.34 0.00 -0.26 0.00 0.00 58.87 58.82 1sg6 n SER 148 Cb 0.50 -0.47 -0.10 0.00 -0.26 0.00 0.00 64.21 63.88 1sg6 n SER 148 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1sg6 s ILE 149 N -2.94 4.46 0.00 -1.33 1.01 -0.87 -4.61 121.20 116.92 1sg6 s ILE 149 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1sg6 s ILE 149 Cb 0.18 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.69 1sg6 s ILE 149 CO 0.49 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.55 1sg6 n GLY 150 N 3.11 2.38 2.63 6.18 0.00 -1.26 -4.74 105.19 113.49 1sg6 n GLY 150 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1sg6 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sg6 n GLY 151 N -0.44 0.71 3.65 -0.02 0.00 -1.26 -4.88 105.19 102.95 1sg6 n GLY 151 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1sg6 n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sg6 s LYS 152 N -0.11 4.17 0.21 1.61 1.02 -1.26 -0.78 119.74 124.60 1sg6 s LYS 152 Ca 0.00 1.38 0.08 0.00 0.02 0.00 0.00 55.97 57.46 1sg6 s LYS 152 Cb 0.00 -3.73 -0.05 0.00 -0.52 0.00 0.00 37.83 33.53 1sg6 s LYS 152 CO 0.00 -0.77 -0.15 0.95 -0.92 0.00 0.00 175.35 174.46 1sg6 s THR 153 N 3.53 1.83 0.00 2.17 -4.23 -0.56 -4.84 115.64 113.54 1sg6 s THR 153 Ca 0.49 -2.21 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 1sg6 s THR 153 Cb -0.17 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.62 1sg6 s THR 153 CO 0.13 -0.55 0.00 0.00 -0.54 0.00 0.00 174.62 173.66 1sg6 n ALA 154 N -0.35 0.00 -2.34 3.99 0.00 -1.17 -2.08 120.51 118.55 1sg6 n ALA 154 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 1sg6 n ALA 154 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 1sg6 n ALA 154 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1sg6 s ILE 155 N -2.00 1.06 0.10 0.00 -4.36 -0.68 -3.71 121.20 111.60 1sg6 s ILE 155 Ca 0.00 -2.03 0.03 0.00 -0.26 0.00 0.00 60.65 58.38 1sg6 s ILE 155 Cb 0.00 -2.38 -0.04 0.00 1.25 0.00 0.00 42.46 41.29 1sg6 s ILE 155 CO 0.00 -0.29 0.16 -1.81 0.24 0.00 0.00 174.94 173.24 1sg6 s ASP 156 N -3.32 5.90 0.32 4.36 1.01 -0.23 -3.08 116.67 121.63 1sg6 s ASP 156 Ca 0.29 0.07 0.04 0.00 0.71 0.00 0.00 52.55 53.67 1sg6 s ASP 156 Cb 0.06 -1.68 -0.06 0.00 1.01 0.00 0.00 42.92 42.24 1sg6 s ASP 156 CO 0.09 0.13 0.05 0.42 0.21 0.00 0.00 175.17 176.07 1sg6 s THR 157 N -1.56 1.24 0.28 -1.27 -4.23 -0.75 -4.36 115.64 104.99 1sg6 s THR 157 Ca 0.32 -2.01 -0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1sg6 s THR 157 Cb -0.12 -2.77 0.28 0.00 1.34 0.00 0.00 72.50 71.23 1sg6 s THR 157 CO 0.25 -0.03 1.87 -0.65 -0.54 0.00 0.00 174.62 175.52 1sg6 h PRO 158 N 2.12 1.04 0.00 3.99 0.11 -2.00 -2.05 132.00 135.21 1sg6 h PRO 158 Ca -0.41 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1sg6 h PRO 158 Cb 1.24 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1sg6 h PRO 158 CO 0.70 0.69 0.00 1.28 -0.21 0.00 0.00 178.00 180.46 1sg6 n LEU 159 N -4.55 0.00 0.00 2.35 4.77 -1.26 -4.92 117.00 113.39 1sg6 n LEU 159 Ca 0.17 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1sg6 n LEU 159 Cb 0.27 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1sg6 n LEU 159 CO 0.30 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1sg6 n GLY 160 N 0.40 3.48 3.81 -0.72 0.00 -0.77 -5.11 105.19 106.28 1sg6 n GLY 160 Ca 0.10 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 1sg6 n GLY 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sg6 s LYS 161 N -2.18 4.34 -1.57 1.61 1.02 -1.26 -1.81 119.74 119.90 1sg6 s LYS 161 Ca 0.00 1.10 -0.05 0.00 0.02 0.00 0.00 55.97 57.04 1sg6 s LYS 161 Cb 0.00 -2.56 0.05 0.00 -0.52 0.00 0.00 37.83 34.80 1sg6 s LYS 161 CO 0.00 0.18 0.28 0.09 -0.92 0.00 0.00 175.35 174.97 1sg6 n ASN 162 N 0.07 -0.19 0.01 2.83 3.02 -1.18 -4.86 115.26 114.96 1sg6 n ASN 162 Ca 0.03 -1.17 0.09 0.00 -0.03 0.00 0.00 54.58 53.50 1sg6 n ASN 162 Cb 0.52 -2.13 -0.13 0.00 -0.61 0.00 0.00 39.78 37.43 1sg6 n ASN 162 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1sg6 n LEU 163 N -4.45 0.24 -4.06 3.41 4.77 -1.24 -4.83 117.00 110.84 1sg6 n LEU 163 Ca -0.23 0.09 -0.31 0.00 -0.03 0.00 0.00 56.01 55.54 1sg6 n LEU 163 Cb 0.64 0.03 -0.16 0.00 -2.33 0.00 0.00 43.42 41.61 1sg6 n LEU 163 CO 0.84 0.01 -0.51 -0.63 -1.33 0.00 0.00 177.39 175.77 1sg6 s ILE 164 N -3.36 1.77 0.00 -0.08 -1.09 -1.26 -5.07 121.20 112.12 1sg6 s ILE 164 Ca -0.06 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 1sg6 s ILE 164 Cb 0.12 -1.63 0.00 0.00 -1.58 0.00 0.00 42.46 39.37 1sg6 s ILE 164 CO 0.87 0.49 0.00 0.61 -1.23 0.00 0.00 174.94 175.68 1sg6 n GLY 165 N 4.68 1.03 3.43 6.18 0.00 -1.26 -1.69 105.19 117.55 1sg6 n GLY 165 Ca -0.19 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 1sg6 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sg6 s ALA 166 N -1.00 -1.59 -0.29 4.61 0.00 -0.88 -4.96 121.76 117.64 1sg6 s ALA 166 Ca 0.00 0.47 -0.16 0.00 0.00 0.00 0.00 51.96 52.27 1sg6 s ALA 166 Cb 0.00 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 1sg6 s ALA 166 CO 0.00 -0.78 0.44 0.42 0.00 0.00 0.00 175.76 175.84 1sg6 s ILE 167 N -3.75 5.11 -0.20 0.00 -1.09 -1.26 -1.50 121.20 118.51 1sg6 s ILE 167 Ca 0.01 0.54 -0.04 0.00 -2.23 0.00 0.00 60.65 58.94 1sg6 s ILE 167 Cb -0.01 -3.81 0.10 0.00 -1.58 0.00 0.00 42.46 37.16 1sg6 s ILE 167 CO -0.12 0.03 0.27 0.86 -1.23 0.00 0.00 174.94 174.74 1sg6 s TRP 168 N 2.20 -0.44 0.05 3.97 -0.00 0.04 -5.02 118.94 119.74 1sg6 s TRP 168 Ca 0.17 0.52 -0.30 0.00 -0.00 0.00 0.00 56.10 56.49 1sg6 s TRP 168 Cb -0.16 -0.20 -0.04 0.00 -0.00 0.00 0.00 33.47 33.07 1sg6 s TRP 168 CO 0.11 -0.59 1.03 -0.65 -0.00 0.00 0.00 176.95 176.86 1sg6 s GLN 169 N 2.40 4.56 0.48 5.86 -1.52 -1.26 -4.47 119.66 125.71 1sg6 s GLN 169 Ca 0.07 1.53 -0.22 0.00 -1.95 0.00 0.00 55.36 54.79 1sg6 s GLN 169 Cb -0.15 -3.41 -0.07 0.00 -0.22 0.00 0.00 33.01 29.16 1sg6 s GLN 169 CO -0.12 -0.04 1.12 -1.25 -0.25 0.00 0.00 175.29 174.75 1sg6 s PRO 170 N 0.73 3.68 0.25 2.91 0.04 -1.26 -4.81 135.00 136.54 1sg6 s PRO 170 Ca 0.52 1.63 0.03 0.00 0.04 0.00 0.00 61.00 63.22 1sg6 s PRO 170 Cb -0.24 -2.25 0.31 0.00 0.04 0.00 0.00 34.50 32.36 1sg6 s PRO 170 CO 0.29 -0.58 1.62 1.15 0.04 0.00 0.00 177.00 179.52 1sg6 h THR 171 N 1.65 1.32 -3.57 1.26 2.02 -1.25 -3.45 112.91 110.89 1sg6 h THR 171 Ca -0.49 -1.64 -0.10 0.00 0.77 0.00 0.00 66.41 64.95 1sg6 h THR 171 Cb 1.24 1.70 -0.16 0.00 -1.74 0.00 0.00 68.15 69.19 1sg6 h THR 171 CO 0.59 0.50 -0.36 -0.54 0.37 0.00 0.00 175.52 176.08 1sg6 s LYS 172 N -4.10 0.75 -0.26 6.66 1.02 -1.26 -4.69 119.74 117.86 1sg6 s LYS 172 Ca -0.06 -0.68 -0.02 0.00 0.02 0.00 0.00 55.97 55.23 1sg6 s LYS 172 Cb 0.13 0.31 0.08 0.00 -0.52 0.00 0.00 37.83 37.83 1sg6 s LYS 172 CO 0.80 -0.23 0.08 0.42 -0.92 0.00 0.00 175.35 175.50 1sg6 s ILE 173 N -2.85 0.62 -0.31 2.17 1.01 0.18 -1.31 121.20 120.71 1sg6 s ILE 173 Ca -0.03 -1.00 -0.21 0.00 0.00 0.00 0.00 60.65 59.41 1sg6 s ILE 173 Cb 0.00 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 1sg6 s ILE 173 CO -0.05 -0.51 0.68 -0.31 0.00 0.00 0.00 174.94 174.75 1sg6 s TYR 174 N 1.77 3.21 -0.43 3.97 2.02 0.10 -1.29 117.35 126.71 1sg6 s TYR 174 Ca 0.05 0.64 -0.08 0.00 -0.37 0.00 0.00 57.07 57.31 1sg6 s TYR 174 Cb -0.17 -3.07 0.09 0.00 -0.40 0.00 0.00 41.96 38.41 1sg6 s TYR 174 CO -0.21 -0.51 0.26 0.42 -1.57 0.00 0.00 175.55 173.95 1sg6 s ILE 175 N 2.72 4.08 -0.39 2.71 1.01 0.28 -3.86 121.20 127.74 1sg6 s ILE 175 Ca 0.27 -1.56 -0.08 0.00 0.00 0.00 0.00 60.65 59.29 1sg6 s ILE 175 Cb -0.15 -3.56 0.07 0.00 0.01 0.00 0.00 42.46 38.83 1sg6 s ILE 175 CO 0.12 -0.58 0.20 -0.62 0.00 0.00 0.00 174.94 174.07 1sg6 s ASP 176 N 2.19 5.49 0.51 3.58 -1.08 -1.26 -1.87 116.67 124.22 1sg6 s ASP 176 Ca 0.04 -1.44 0.33 0.00 -0.52 0.00 0.00 52.55 50.96 1sg6 s ASP 176 Cb -0.24 -1.93 1.80 0.00 -1.46 0.00 0.00 42.92 41.09 1sg6 s ASP 176 CO 0.01 -0.47 2.01 -0.07 0.52 0.00 0.00 175.17 177.17 1sg6 h LEU 177 N 8.30 0.00 -1.93 -1.34 3.38 -1.94 -2.14 115.31 119.65 1sg6 h LEU 177 Ca -0.22 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1sg6 h LEU 177 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1sg6 h LEU 177 CO 0.70 0.00 -0.12 -0.33 0.09 0.00 0.00 178.44 178.78 1sg6 h GLU 178 N 0.00 0.00 -0.11 1.13 5.08 -1.93 -1.79 114.58 116.96 1sg6 h GLU 178 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1sg6 h GLU 178 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1sg6 h GLU 178 CO 0.00 0.12 0.08 0.74 -1.00 0.00 0.00 179.01 178.95 1sg6 h PHE 179 N 0.00 0.00 0.00 4.33 0.04 -1.72 0.11 116.94 119.70 1sg6 h PHE 179 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1sg6 h PHE 179 Cb 0.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.45 1sg6 h PHE 179 CO 0.00 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.99 1sg6 n LEU 180 N -4.39 0.00 0.14 1.54 4.77 -0.67 -2.59 117.00 115.80 1sg6 n LEU 180 Ca -0.00 0.49 0.01 0.00 -0.03 0.00 0.00 56.01 56.48 1sg6 n LEU 180 Cb 0.20 -0.49 0.33 0.00 -2.33 0.00 0.00 43.42 41.12 1sg6 n LEU 180 CO 0.33 -0.25 0.75 -0.33 -1.33 0.00 0.00 177.39 176.57 1sg6 h GLU 181 N 0.00 0.15 -0.01 3.23 5.08 -0.92 -3.17 114.58 118.94 1sg6 h GLU 181 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1sg6 h GLU 181 Cb 0.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1sg6 h GLU 181 CO 0.00 0.45 -0.38 0.25 -1.00 0.00 0.00 179.01 178.33 1sg6 n THR 182 N -4.13 0.00 -1.74 1.13 -2.24 -1.07 -4.92 114.28 101.31 1sg6 n THR 182 Ca -0.01 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 1sg6 n THR 182 Cb 0.39 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 1sg6 n THR 182 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1sg6 s LEU 183 N -2.09 4.37 0.40 3.22 2.96 -1.15 -4.90 118.68 121.48 1sg6 s LEU 183 Ca 0.08 2.87 -0.25 0.00 -0.22 0.00 0.00 54.13 56.61 1sg6 s LEU 183 Cb 0.09 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 43.07 1sg6 s LEU 183 CO 0.38 -0.96 1.14 -2.65 -1.32 0.00 0.00 176.35 172.93 1sg6 n PRO 184 N 3.72 1.64 -0.22 0.98 -0.02 -1.26 -4.73 135.00 135.11 1sg6 n PRO 184 Ca 0.15 0.58 0.02 0.00 -2.02 0.00 0.00 63.50 62.23 1sg6 n PRO 184 Cb 0.36 -2.18 0.12 0.00 -0.02 0.00 0.00 33.50 31.77 1sg6 n PRO 184 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1sg6 h VAL 185 N 1.88 0.47 -0.99 -1.45 2.07 -1.90 -1.13 116.25 115.20 1sg6 h VAL 185 Ca -0.45 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1sg6 h VAL 185 Cb 1.32 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 1sg6 h VAL 185 CO 0.59 0.03 0.65 -0.09 0.02 0.00 0.00 177.57 178.77 1sg6 h ARG 186 N 0.14 1.25 -0.30 1.57 2.43 -2.00 -1.35 114.38 116.13 1sg6 h ARG 186 Ca 0.35 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.31 1sg6 h ARG 186 Cb 0.58 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1sg6 h ARG 186 CO -0.54 0.83 -0.35 0.93 -1.51 0.00 0.00 179.97 179.32 1sg6 h GLU 187 N 1.29 0.67 0.01 0.20 4.39 -1.60 -0.58 114.58 118.95 1sg6 h GLU 187 Ca 0.39 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1sg6 h GLU 187 Cb -0.05 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1sg6 h GLU 187 CO -0.11 0.92 -0.00 0.35 -1.16 0.00 0.00 179.01 179.01 1sg6 h PHE 188 N 0.56 -0.01 -0.97 4.33 3.04 -0.66 -1.74 116.94 121.50 1sg6 h PHE 188 Ca 0.06 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.02 1sg6 h PHE 188 Cb 0.87 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.33 1sg6 h PHE 188 CO 0.04 0.13 0.64 0.82 -2.02 0.00 0.00 178.31 177.92 1sg6 h ILE 189 N -0.14 1.24 -0.37 1.41 2.04 -1.20 -2.37 117.51 118.12 1sg6 h ILE 189 Ca -0.00 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.48 1sg6 h ILE 189 Cb 0.14 -0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 35.98 1sg6 h ILE 189 CO 0.00 0.24 -0.01 -1.13 0.00 0.00 0.00 178.15 177.25 1sg6 h ASN 190 N 1.31 -0.18 0.41 1.72 -1.24 -0.69 -1.77 115.58 115.14 1sg6 h ASN 190 Ca 0.36 0.09 -0.04 0.00 0.71 0.00 0.00 56.30 57.42 1sg6 h ASN 190 Cb -0.14 0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 1sg6 h ASN 190 CO -0.08 -0.05 -0.17 1.23 -1.29 0.00 0.00 177.43 177.06 1sg6 h GLY 191 N 0.09 0.00 2.00 1.57 0.00 -0.82 -2.80 103.07 103.11 1sg6 h GLY 191 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1sg6 h GLY 191 CO -0.31 0.00 -0.04 -0.33 0.00 0.00 0.00 176.54 175.86 1sg6 h MET 192 N 0.00 0.00 -0.65 4.80 2.86 -1.00 -2.16 114.93 118.78 1sg6 h MET 192 Ca -0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1sg6 h MET 192 Cb 0.42 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 1sg6 h MET 192 CO 0.02 0.04 0.40 0.00 1.06 0.00 0.00 176.91 178.43 1sg6 h ALA 193 N 1.96 0.85 -0.17 6.32 0.00 -1.54 0.39 119.26 127.08 1sg6 h ALA 193 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1sg6 h ALA 193 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1sg6 h ALA 193 CO 0.01 0.14 -0.44 0.93 0.00 0.00 0.00 179.25 179.88 1sg6 h GLU 194 N 0.77 0.40 -0.20 0.00 4.39 -1.59 -1.37 114.58 116.98 1sg6 h GLU 194 Ca 0.27 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 1sg6 h GLU 194 Cb 0.05 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1sg6 h GLU 194 CO -0.12 0.77 -0.03 0.28 -1.16 0.00 0.00 179.01 178.75 1sg6 h VAL 195 N 0.33 1.27 -0.53 3.13 2.07 -1.35 -1.33 116.25 119.85 1sg6 h VAL 195 Ca 0.02 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.50 1sg6 h VAL 195 Cb 0.91 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1sg6 h VAL 195 CO 0.08 0.29 0.02 0.40 0.02 0.00 0.00 177.57 178.37 1sg6 h ILE 196 N 0.10 1.25 0.11 4.57 2.04 -0.88 -2.43 117.51 122.27 1sg6 h ILE 196 Ca 0.05 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 1sg6 h ILE 196 Cb 0.45 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1sg6 h ILE 196 CO 0.02 0.37 -0.05 0.50 0.00 0.00 0.00 178.15 178.98 1sg6 h LYS 197 N 0.82 -0.15 -0.70 2.37 3.64 -1.14 -0.62 116.57 120.80 1sg6 h LYS 197 Ca 0.16 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.63 1sg6 h LYS 197 Cb 0.47 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.25 1sg6 h LYS 197 CO 0.02 -0.09 0.36 1.15 -2.27 0.00 0.00 179.45 178.62 1sg6 h THR 198 N -0.16 0.88 -0.31 1.00 2.02 -1.11 -2.02 112.91 113.21 1sg6 h THR 198 Ca -0.02 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 1sg6 h THR 198 Cb 0.13 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1sg6 h THR 198 CO 0.03 0.11 -0.01 0.00 0.37 0.00 0.00 175.52 176.02 1sg6 h ALA 199 N 1.41 0.41 0.00 6.16 0.00 -1.23 -2.83 119.26 123.18 1sg6 h ALA 199 Ca 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1sg6 h ALA 199 Cb 0.32 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1sg6 h ALA 199 CO -0.25 0.17 -0.10 0.00 0.00 0.00 0.00 179.25 179.07 1sg6 h ALA 200 N 0.84 1.82 -0.02 0.00 0.00 -0.62 0.58 119.26 121.86 1sg6 h ALA 200 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sg6 h ALA 200 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1sg6 h ALA 200 CO 0.02 0.13 -0.16 0.44 0.00 0.00 0.00 179.25 179.67 1sg6 n ILE 201 N -4.41 0.00 0.00 0.00 -5.35 -0.81 0.37 119.36 109.17 1sg6 n ILE 201 Ca -0.03 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1sg6 n ILE 201 Cb 0.18 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 38.86 1sg6 n ILE 201 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1sg6 n SER 202 N 0.10 0.58 -3.66 7.28 3.41 -0.88 -4.45 113.62 116.01 1sg6 n SER 202 Ca 0.14 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.67 1sg6 n SER 202 Cb 0.42 0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.37 1sg6 n SER 202 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1sg6 s SER 203 N -0.72 -0.39 0.26 4.04 0.15 0.14 -4.85 113.70 112.33 1sg6 s SER 203 Ca 0.00 1.05 0.00 0.00 0.70 0.00 0.00 55.95 57.71 1sg6 s SER 203 Cb 0.00 1.38 0.35 0.00 -1.71 0.00 0.00 66.02 66.03 1sg6 s SER 203 CO 0.00 -0.23 1.70 -0.08 1.20 0.00 0.00 173.24 175.83 1sg6 h GLU 204 N 8.00 0.58 -0.45 5.44 4.22 -1.79 -1.86 114.58 128.71 1sg6 h GLU 204 Ca -0.19 -0.22 -0.09 0.00 0.08 0.00 0.00 59.36 58.94 1sg6 h GLU 204 Cb 1.12 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1sg6 h GLU 204 CO 0.14 0.76 -0.08 0.93 -2.18 0.00 0.00 179.01 178.58 1sg6 h GLU 205 N 0.51 0.85 -0.61 1.92 5.08 -1.93 -1.53 114.58 118.87 1sg6 h GLU 205 Ca 0.08 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.04 1sg6 h GLU 205 Cb 0.67 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1sg6 h GLU 205 CO 0.05 0.94 0.05 1.49 -1.00 0.00 0.00 179.01 180.54 1sg6 h GLU 206 N 0.69 1.05 -0.74 2.33 4.57 -1.87 -0.90 114.58 119.70 1sg6 h GLU 206 Ca 0.12 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 57.96 1sg6 h GLU 206 Cb 0.61 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 1sg6 h GLU 206 CO 0.04 1.00 0.37 0.35 -1.18 0.00 0.00 179.01 179.59 1sg6 h PHE 207 N 0.95 1.06 -0.52 0.92 3.04 -1.22 -1.19 116.94 119.98 1sg6 h PHE 207 Ca 0.18 -0.05 -0.07 0.00 3.98 0.00 0.00 57.97 62.01 1sg6 h PHE 207 Cb 0.50 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 1sg6 h PHE 207 CO 0.04 0.77 0.04 1.15 -2.02 0.00 0.00 178.31 178.30 1sg6 h THR 208 N 1.04 1.24 -0.76 4.41 2.02 -0.97 -1.31 112.91 118.58 1sg6 h THR 208 Ca 0.26 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 1sg6 h THR 208 Cb 0.10 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1sg6 h THR 208 CO -0.03 0.35 0.41 0.00 0.37 0.00 0.00 175.52 176.62 1sg6 h ALA 209 N 1.24 0.98 -0.44 6.16 0.00 -0.51 0.12 119.26 126.81 1sg6 h ALA 209 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1sg6 h ALA 209 Cb 0.42 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1sg6 h ALA 209 CO 0.01 0.49 0.23 -0.07 0.00 0.00 0.00 179.25 179.92 1sg6 h LEU 210 N 1.06 0.57 -0.52 0.00 3.38 -0.73 -1.41 115.31 117.66 1sg6 h LEU 210 Ca 0.27 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1sg6 h LEU 210 Cb 0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1sg6 h LEU 210 CO -0.04 0.51 0.33 -0.33 0.09 0.00 0.00 178.44 179.00 1sg6 h GLU 211 N 0.58 0.64 -0.12 1.13 5.08 -0.64 -2.28 114.58 118.96 1sg6 h GLU 211 Ca 0.15 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 1sg6 h GLU 211 Cb 0.09 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1sg6 h GLU 211 CO -0.02 0.42 -0.45 0.93 -1.00 0.00 0.00 179.01 178.89 1sg6 h GLU 212 N 0.66 0.30 -0.17 2.33 5.08 -0.74 -3.24 114.58 118.79 1sg6 h GLU 212 Ca 0.20 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1sg6 h GLU 212 Cb -0.03 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1sg6 h GLU 212 CO -0.07 0.70 0.00 0.09 -1.00 0.00 0.00 179.01 178.73 1sg6 n ASN 213 N -3.99 2.62 -0.04 1.42 5.03 -0.55 -4.53 115.26 115.22 1sg6 n ASN 213 Ca -0.02 -1.86 -0.08 0.00 0.87 0.00 0.00 54.58 53.50 1sg6 n ASN 213 Cb 0.52 -0.10 -0.02 0.00 -1.02 0.00 0.00 39.78 39.15 1sg6 n ASN 213 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sg6 h ALA 214 N 4.46 0.07 -0.12 5.41 0.00 -1.44 -1.03 119.26 126.60 1sg6 h ALA 214 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1sg6 h ALA 214 Cb 0.81 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1sg6 h ALA 214 CO 0.00 -0.53 0.04 1.49 0.00 0.00 0.00 179.25 180.26 1sg6 h GLU 215 N -0.08 0.10 -0.31 0.00 4.57 -1.84 0.68 114.58 117.70 1sg6 h GLU 215 Ca 0.11 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1sg6 h GLU 215 Cb 0.25 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1sg6 h GLU 215 CO -0.26 0.07 0.19 1.15 -1.18 0.00 0.00 179.01 178.98 1sg6 h THR 216 N 0.10 1.05 -0.17 0.32 2.02 -1.81 -0.75 112.91 113.67 1sg6 h THR 216 Ca 0.05 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1sg6 h THR 216 Cb 0.03 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1sg6 h THR 216 CO -0.05 0.07 -0.02 0.40 0.37 0.00 0.00 175.52 176.29 1sg6 h ILE 217 N 0.39 1.27 -0.58 3.11 2.04 -1.02 -2.83 117.51 119.88 1sg6 h ILE 217 Ca 0.12 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 1sg6 h ILE 217 Cb -0.02 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1sg6 h ILE 217 CO -0.04 0.28 0.08 0.25 0.00 0.00 0.00 178.15 178.71 1sg6 h LEU 218 N 0.05 0.91 -0.42 1.44 5.85 -0.80 -1.92 115.31 120.42 1sg6 h LEU 218 Ca 0.05 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1sg6 h LEU 218 Cb 0.43 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1sg6 h LEU 218 CO 0.01 0.92 0.26 0.11 -0.34 0.00 0.00 178.44 179.40 1sg6 h LYS 219 N 0.90 0.50 -0.83 1.25 1.57 -1.13 -0.42 116.57 118.41 1sg6 h LYS 219 Ca 0.18 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1sg6 h LYS 219 Cb 0.42 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 1sg6 h LYS 219 CO 0.01 0.33 0.44 0.00 -0.57 0.00 0.00 179.45 179.67 1sg6 h ALA 220 N 1.17 1.07 -0.54 3.86 0.00 -1.24 0.13 119.26 123.71 1sg6 h ALA 220 Ca 0.16 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1sg6 h ALA 220 Cb -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1sg6 h ALA 220 CO -0.06 0.60 -0.10 0.28 0.00 0.00 0.00 179.25 179.97 1sg6 h VAL 221 N 1.17 1.27 0.00 0.00 2.07 -0.88 -3.09 116.25 116.78 1sg6 h VAL 221 Ca 0.29 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1sg6 h VAL 221 Cb 0.06 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1sg6 h VAL 221 CO -0.04 0.44 -0.41 0.03 0.02 0.00 0.00 177.57 177.61 1sg6 h ARG 222 N 0.90 0.00 -7.13 1.57 3.08 -0.92 -3.46 114.38 108.42 1sg6 h ARG 222 Ca 0.14 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.66 1sg6 h ARG 222 Cb 0.67 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.85 1sg6 h ARG 222 CO 0.05 0.00 0.45 0.50 -1.07 0.00 0.00 179.97 179.89 1sg6 s ARG 223 N -3.21 2.63 -0.35 0.04 3.00 0.45 -4.99 118.95 116.53 1sg6 s ARG 223 Ca 0.06 1.81 -0.14 0.00 -1.00 0.00 0.00 55.73 56.45 1sg6 s ARG 223 Cb 0.10 -1.89 -0.01 0.00 0.00 0.00 0.00 34.95 33.15 1sg6 s ARG 223 CO 0.70 -1.47 0.31 -1.83 0.00 0.00 0.00 175.30 173.01 1sg6 s GLU 224 N -3.58 3.48 -0.14 5.12 -1.05 -1.26 -5.00 118.70 116.27 1sg6 s GLU 224 Ca 0.76 -0.57 -0.20 0.00 -0.15 0.00 0.00 54.97 54.81 1sg6 s GLU 224 Cb -0.30 -3.82 -0.03 0.00 -0.44 0.00 0.00 34.13 29.53 1sg6 s GLU 224 CO 0.38 -0.51 0.59 0.08 0.95 0.00 0.00 175.26 176.75 1sg6 s VAL 225 N 1.87 5.09 0.55 1.83 1.01 -1.26 -5.07 120.40 124.42 1sg6 s VAL 225 Ca 0.09 1.16 -0.17 0.00 0.00 0.00 0.00 61.98 63.06 1sg6 s VAL 225 Cb -0.17 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 1sg6 s VAL 225 CO 0.11 0.22 1.03 0.42 0.00 0.00 0.00 175.10 176.88 1sg6 s THR 226 N 1.18 4.05 0.16 3.92 -4.23 -1.26 -4.96 115.64 114.50 1sg6 s THR 226 Ca 0.30 1.02 -0.34 0.00 -1.18 0.00 0.00 61.69 61.48 1sg6 s THR 226 Cb -0.16 -3.50 -0.14 0.00 1.34 0.00 0.00 72.50 70.03 1sg6 s THR 226 CO 0.12 -0.53 1.50 -2.65 -0.54 0.00 0.00 174.62 172.52 1sg6 n PRO 227 N -1.73 1.91 0.00 3.99 -0.02 -1.26 -2.54 135.00 135.35 1sg6 n PRO 227 Ca 0.08 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1sg6 n PRO 227 Cb 0.53 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1sg6 n PRO 227 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sg6 n GLY 228 N 3.06 2.81 3.95 -1.23 0.00 -1.26 -5.06 105.19 107.46 1sg6 n GLY 228 Ca 0.17 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 1sg6 n GLY 228 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sg6 s GLU 229 N 0.00 3.07 -0.13 1.61 -1.05 -1.05 -5.09 118.70 116.06 1sg6 s GLU 229 Ca 0.00 -0.52 -0.10 0.00 -0.15 0.00 0.00 54.97 54.20 1sg6 s GLU 229 Cb 0.00 -2.58 -0.05 0.00 -0.44 0.00 0.00 34.13 31.07 1sg6 s GLU 229 CO 0.00 -0.25 0.20 -1.01 0.95 0.00 0.00 175.26 175.15 1sg6 s HIS 230 N -2.53 3.55 0.23 4.83 3.76 -1.26 -4.83 115.29 119.04 1sg6 s HIS 230 Ca 0.48 0.56 -0.06 0.00 -0.15 0.00 0.00 55.06 55.89 1sg6 s HIS 230 Cb -0.10 -2.11 0.32 0.00 1.11 0.00 0.00 32.58 31.81 1sg6 s HIS 230 CO 0.37 0.54 1.83 -0.09 -0.85 0.00 0.00 174.74 176.55 1sg6 h ARG 231 N 5.60 0.84 -0.76 1.40 2.43 -1.94 -2.57 114.38 119.39 1sg6 h ARG 231 Ca -0.49 -0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 58.41 1sg6 h ARG 231 Cb 1.20 -0.19 -0.13 0.00 -0.42 0.00 0.00 29.97 30.43 1sg6 h ARG 231 CO 0.65 0.56 0.28 1.19 -1.51 0.00 0.00 179.97 181.14 1sg6 n PHE 232 N -4.68 2.51 -0.24 2.20 3.72 -1.26 -4.79 117.46 114.92 1sg6 n PHE 232 Ca 0.12 -1.20 0.08 0.00 -0.05 0.00 0.00 57.45 56.40 1sg6 n PHE 232 Cb 0.20 -0.70 0.16 0.00 -0.94 0.00 0.00 39.48 38.19 1sg6 n PHE 232 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1sg6 n GLU 233 N -0.11 -0.06 -0.25 -1.08 2.13 -0.97 -1.18 120.64 119.13 1sg6 n GLU 233 Ca 0.41 1.03 0.09 0.00 0.66 0.00 0.00 57.16 59.35 1sg6 n GLU 233 Cb 1.41 -1.59 0.23 0.00 0.27 0.00 0.00 31.44 31.75 1sg6 n GLU 233 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sg6 n GLY 234 N -1.37 2.26 1.97 8.31 0.00 -1.26 -4.54 105.19 110.55 1sg6 n GLY 234 Ca 0.14 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.55 1sg6 n GLY 234 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sg6 n THR 235 N 1.17 0.83 -0.11 2.61 -2.24 -0.32 -4.92 114.28 111.30 1sg6 n THR 235 Ca 0.18 -2.12 -0.07 0.00 -2.27 0.00 0.00 64.05 59.77 1sg6 n THR 235 Cb 0.53 0.88 0.01 0.00 -2.10 0.00 0.00 70.33 69.65 1sg6 n THR 235 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1sg6 h GLU 236 N 1.69 0.34 -0.37 -0.78 3.07 -1.75 -1.76 114.58 115.02 1sg6 h GLU 236 Ca -0.14 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.63 1sg6 h GLU 236 Cb 1.56 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.38 1sg6 h GLU 236 CO 0.17 0.23 -0.08 0.93 -1.40 0.00 0.00 179.01 178.85 1sg6 h GLU 237 N 0.35 0.62 -0.01 2.33 4.39 -1.91 0.07 114.58 120.43 1sg6 h GLU 237 Ca 0.15 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1sg6 h GLU 237 Cb 0.07 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1sg6 h GLU 237 CO -0.12 0.70 0.00 0.82 -1.16 0.00 0.00 179.01 179.26 1sg6 h ILE 238 N 0.58 1.24 -0.44 3.13 2.04 -1.89 -1.20 117.51 120.96 1sg6 h ILE 238 Ca 0.11 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1sg6 h ILE 238 Cb 0.49 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1sg6 h ILE 238 CO 0.03 0.19 0.24 0.25 0.00 0.00 0.00 178.15 178.86 1sg6 h LEU 239 N -0.28 0.55 -0.58 1.44 5.85 -1.15 -2.14 115.31 119.00 1sg6 h LEU 239 Ca 0.00 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1sg6 h LEU 239 Cb 0.30 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1sg6 h LEU 239 CO 0.00 0.48 0.34 0.50 -0.34 0.00 0.00 178.44 179.43 1sg6 h LYS 240 N 0.58 0.80 -0.34 1.25 3.64 -0.97 -2.34 116.57 119.18 1sg6 h LYS 240 Ca 0.16 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1sg6 h LYS 240 Cb 0.05 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1sg6 h LYS 240 CO -0.03 0.58 0.21 0.00 -2.27 0.00 0.00 179.45 177.95 1sg6 h ALA 241 N 1.17 0.43 -0.30 5.00 0.00 -0.95 0.63 119.26 125.23 1sg6 h ALA 241 Ca 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1sg6 h ALA 241 Cb -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1sg6 h ALA 241 CO -0.04 -0.13 0.11 0.00 0.00 0.00 0.00 179.25 179.19 1sg6 h ARG 242 N 0.44 0.46 -0.27 0.00 2.47 -1.28 -1.55 114.38 114.65 1sg6 h ARG 242 Ca 0.13 -0.09 -0.07 0.00 -1.26 0.00 0.00 59.98 58.69 1sg6 h ARG 242 Cb -0.02 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 1sg6 h ARG 242 CO -0.05 0.50 -0.09 0.82 0.56 0.00 0.00 179.97 181.71 1sg6 h ILE 243 N 0.34 1.29 0.00 2.04 2.04 -1.30 -2.98 117.51 118.93 1sg6 h ILE 243 Ca 0.10 -1.15 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 1sg6 h ILE 243 Cb 0.22 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1sg6 h ILE 243 CO -0.01 0.36 -0.26 -0.07 0.00 0.00 0.00 178.15 178.18 1sg6 h LEU 244 N 0.29 0.00 -0.58 1.44 4.07 -0.88 -1.76 115.31 117.89 1sg6 h LEU 244 Ca 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 1sg6 h LEU 244 Cb 0.59 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.30 1sg6 h LEU 244 CO 0.03 0.26 0.33 0.00 -1.08 0.00 0.00 178.44 177.98 1sg6 h ALA 245 N 1.74 0.74 -0.11 1.53 0.00 -1.13 0.43 119.26 122.46 1sg6 h ALA 245 Ca -0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1sg6 h ALA 245 Cb 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sg6 h ALA 245 CO 0.03 0.24 -0.24 1.03 0.00 0.00 0.00 179.25 180.32 1sg6 h SER 246 N 0.78 0.40 -0.88 0.00 0.87 -1.41 -2.16 113.55 111.16 1sg6 h SER 246 Ca 0.20 -0.56 -0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1sg6 h SER 246 Cb 0.02 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 1sg6 h SER 246 CO -0.04 0.89 0.53 0.00 -0.53 0.00 0.00 176.83 177.69 1sg6 h ALA 247 N 0.52 1.12 -0.55 6.23 0.00 -1.16 -1.67 119.26 123.74 1sg6 h ALA 247 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1sg6 h ALA 247 Cb 0.83 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1sg6 h ALA 247 CO 0.05 0.57 0.30 -0.09 0.00 0.00 0.00 179.25 180.09 1sg6 h ARG 248 N 1.20 0.77 -0.22 0.00 2.43 -0.11 -1.36 114.38 117.10 1sg6 h ARG 248 Ca 0.31 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1sg6 h ARG 248 Cb -0.05 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1sg6 h ARG 248 CO -0.06 0.60 0.09 1.25 -1.51 0.00 0.00 179.97 180.34 1sg6 h HIS 249 N 0.75 0.33 -0.94 2.20 2.76 -0.88 0.17 115.15 119.55 1sg6 h HIS 249 Ca 0.20 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1sg6 h HIS 249 Cb 0.05 -0.10 -0.05 0.00 1.55 0.00 0.00 27.41 28.86 1sg6 h HIS 249 CO -0.01 0.36 0.60 -0.22 -1.30 0.00 0.00 177.93 177.36 1sg6 h LYS 250 N 0.21 1.24 -0.70 5.26 3.64 -1.18 -0.06 116.57 124.98 1sg6 h LYS 250 Ca 0.07 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1sg6 h LYS 250 Cb 0.17 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1sg6 h LYS 250 CO -0.01 0.84 0.25 0.00 -2.27 0.00 0.00 179.45 178.26 1sg6 h ALA 251 N 1.33 1.12 -0.20 5.00 0.00 -0.94 -0.12 119.26 125.45 1sg6 h ALA 251 Ca 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1sg6 h ALA 251 Cb -0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1sg6 h ALA 251 CO -0.07 0.62 0.10 -0.92 0.00 0.00 0.00 179.25 178.98 1sg6 h TYR 252 N 1.03 0.28 -0.26 0.00 3.20 -0.05 -0.92 116.97 120.24 1sg6 h TYR 252 Ca 0.23 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1sg6 h TYR 252 Cb 0.24 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1sg6 h TYR 252 CO 0.02 0.29 0.11 0.28 -1.64 0.00 0.00 178.16 177.22 1sg6 h VAL 253 N 0.20 1.16 -0.48 1.81 2.07 -0.68 -2.20 116.25 118.13 1sg6 h VAL 253 Ca 0.07 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1sg6 h VAL 253 Cb 0.11 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1sg6 h VAL 253 CO -0.01 0.16 0.20 0.58 0.02 0.00 0.00 177.57 178.53 1sg6 h VAL 254 N 0.27 1.17 0.00 2.57 2.07 -0.95 -2.60 116.25 118.79 1sg6 h VAL 254 Ca 0.09 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1sg6 h VAL 254 Cb 0.16 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1sg6 h VAL 254 CO -0.01 0.21 0.00 0.28 0.02 0.00 0.00 177.57 178.07 1sg6 h SER 255 N 0.67 0.00 0.00 0.57 0.02 -0.96 -3.44 113.55 110.41 1sg6 h SER 255 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1sg6 h SER 255 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1sg6 h SER 255 CO -0.02 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.67 1sg6 n ALA 256 N -1.97 0.00 -0.38 3.77 0.00 -0.84 -4.78 120.51 116.31 1sg6 n ALA 256 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1sg6 n ALA 256 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1sg6 n ALA 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sg6 n GLY 261 N 0.00 0.80 0.00 0.00 0.00 -1.26 -5.14 105.19 99.58 1sg6 n GLY 261 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sg6 n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sg6 n GLY 262 N -2.33 0.73 0.31 -0.02 0.00 -1.26 -4.55 105.19 98.08 1sg6 n GLY 262 Ca 0.00 -0.71 0.07 0.00 0.00 0.00 0.00 46.02 45.38 1sg6 n GLY 262 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1sg6 h LEU 263 N 0.00 0.35 -1.22 0.99 5.85 -1.97 -0.60 115.31 118.71 1sg6 h LEU 263 Ca 0.00 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1sg6 h LEU 263 Cb 0.00 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1sg6 h LEU 263 CO 0.00 0.24 -0.22 -0.09 -0.34 0.00 0.00 178.44 178.04 1sg6 h ARG 264 N 0.41 0.00 -0.76 1.25 2.43 -1.87 -2.79 114.38 113.05 1sg6 h ARG 264 Ca 0.16 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1sg6 h ARG 264 Cb 0.12 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1sg6 h ARG 264 CO -0.04 0.22 0.45 -0.91 -1.51 0.00 0.00 179.97 178.18 1sg6 h ASN 265 N 0.00 0.91 -0.50 -3.80 -0.26 -1.45 -2.51 115.58 107.97 1sg6 h ASN 265 Ca -0.00 -0.05 0.14 0.00 -0.56 0.00 0.00 56.30 55.82 1sg6 h ASN 265 Cb 0.69 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.70 1sg6 h ASN 265 CO 0.03 0.70 0.36 -0.07 -1.06 0.00 0.00 177.43 177.39 1sg6 h LEU 266 N 1.04 0.02 -0.50 1.61 3.38 -1.53 0.12 115.31 119.46 1sg6 h LEU 266 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1sg6 h LEU 266 Cb -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1sg6 h LEU 266 CO -0.05 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.67 1sg6 n LEU 267 N -4.40 0.34 -0.70 1.67 4.77 -0.94 -2.11 117.00 115.63 1sg6 n LEU 267 Ca 0.09 0.61 0.08 0.00 -0.03 0.00 0.00 56.01 56.75 1sg6 n LEU 267 Cb 0.56 -0.58 0.24 0.00 -2.33 0.00 0.00 43.42 41.31 1sg6 n LEU 267 CO 0.36 -0.52 0.69 0.59 -1.33 0.00 0.00 177.39 177.19 1sg6 n ASN 268 N -1.90 2.06 -4.69 -1.43 5.03 0.43 -4.92 115.26 109.85 1sg6 n ASN 268 Ca 0.02 -1.91 -0.44 0.00 0.87 0.00 0.00 54.58 53.12 1sg6 n ASN 268 Cb 0.15 -0.22 -0.02 0.00 -1.02 0.00 0.00 39.78 38.66 1sg6 n ASN 268 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 1sg6 n TRP 269 N 0.61 2.34 0.00 3.10 -0.00 -0.90 -0.51 117.44 122.08 1sg6 n TRP 269 Ca 0.15 0.39 0.00 0.00 -0.00 0.00 0.00 57.50 58.04 1sg6 n TRP 269 Cb 0.35 -2.49 0.00 0.00 -0.00 0.00 0.00 31.31 29.17 1sg6 n TRP 269 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1sg6 n GLY 270 N 2.11 2.93 0.12 5.87 0.00 -1.26 -4.85 105.19 110.11 1sg6 n GLY 270 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1sg6 n GLY 270 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1sg6 h HIS 271 N 0.00 0.00 0.25 1.61 3.86 -1.11 -0.90 115.15 118.86 1sg6 h HIS 271 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1sg6 h HIS 271 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1sg6 h HIS 271 CO 0.00 0.00 -0.12 0.77 0.86 0.00 0.00 177.93 179.44 1sg6 h SER 272 N 0.00 -0.28 0.60 2.45 0.02 -1.89 0.26 113.55 114.71 1sg6 h SER 272 Ca 0.00 -0.18 -0.28 0.00 -0.84 0.00 0.00 61.79 60.50 1sg6 h SER 272 Cb 0.94 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1sg6 h SER 272 CO 0.00 0.03 -1.29 0.40 -1.14 0.00 0.00 176.83 174.83 1sg6 h ILE 273 N -0.61 1.45 -0.43 3.27 2.04 -1.87 -3.26 117.51 118.10 1sg6 h ILE 273 Ca -0.03 -3.02 0.04 0.00 1.00 0.00 0.00 64.86 62.84 1sg6 h ILE 273 Cb 0.44 2.92 -0.04 0.00 -0.74 0.00 0.00 36.82 39.40 1sg6 h ILE 273 CO 0.06 0.88 0.20 1.23 0.00 0.00 0.00 178.15 180.52 1sg6 h GLY 274 N 1.61 0.59 1.82 5.37 0.00 -1.16 -1.52 103.07 109.78 1sg6 h GLY 274 Ca -0.15 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 1sg6 h GLY 274 CO 0.20 0.09 -0.24 0.45 0.00 0.00 0.00 176.54 177.04 1sg6 h HIS 275 N 0.41 0.23 -0.48 5.60 3.86 -1.06 -0.36 115.15 123.35 1sg6 h HIS 275 Ca 0.19 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.29 1sg6 h HIS 275 Cb 0.11 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 1sg6 h HIS 275 CO -0.11 0.44 0.01 0.00 0.86 0.00 0.00 177.93 179.13 1sg6 h ALA 276 N 1.56 0.64 -0.24 2.45 0.00 -1.43 -1.24 119.26 121.00 1sg6 h ALA 276 Ca 0.03 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1sg6 h ALA 276 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1sg6 h ALA 276 CO 0.04 0.44 -0.05 0.82 0.00 0.00 0.00 179.25 180.50 1sg6 h ILE 277 N 0.70 1.28 -0.97 0.00 2.04 -0.91 -3.15 117.51 116.49 1sg6 h ILE 277 Ca 0.14 -1.03 0.05 0.00 1.00 0.00 0.00 64.86 65.02 1sg6 h ILE 277 Cb 0.49 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 1sg6 h ILE 277 CO 0.02 0.32 0.63 -0.08 0.00 0.00 0.00 178.15 179.05 1sg6 h GLU 278 N 0.20 1.14 -0.63 2.37 4.81 -0.93 -0.46 114.58 121.08 1sg6 h GLU 278 Ca 0.06 -0.07 0.16 0.00 -0.13 0.00 0.00 59.36 59.39 1sg6 h GLU 278 Cb 0.50 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1sg6 h GLU 278 CO 0.02 0.75 0.44 0.00 -0.73 0.00 0.00 179.01 179.50 1sg6 h ALA 279 N 1.46 2.45 0.03 2.92 0.00 -1.18 0.68 119.26 125.61 1sg6 h ALA 279 Ca 0.41 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.99 1sg6 h ALA 279 Cb 0.11 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1sg6 h ALA 279 CO -0.15 -0.62 -1.72 -0.89 0.00 0.00 0.00 179.25 175.87 1sg6 n ILE 280 N -4.39 1.60 0.82 0.00 5.41 -0.53 -4.55 119.36 117.71 1sg6 n ILE 280 Ca 0.12 -0.28 0.13 0.00 1.00 0.00 0.00 62.75 63.72 1sg6 n ILE 280 Cb 0.63 -1.90 0.38 0.00 -0.71 0.00 0.00 39.64 38.04 1sg6 n ILE 280 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1sg6 n LEU 281 N -4.08 0.47 -4.78 1.39 4.77 -0.29 -4.85 117.00 109.62 1sg6 n LEU 281 Ca -0.36 0.34 -0.35 0.00 -0.03 0.00 0.00 56.01 55.60 1sg6 n LEU 281 Cb 0.83 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1sg6 n LEU 281 CO 0.24 -0.02 0.77 0.28 -1.33 0.00 0.00 177.39 177.32 1sg6 s THR 282 N -3.06 3.39 -1.61 -5.08 -1.32 0.21 -1.82 115.64 106.34 1sg6 s THR 282 Ca 0.11 0.92 0.27 0.00 -1.21 0.00 0.00 61.69 61.77 1sg6 s THR 282 Cb 0.16 -3.40 0.25 0.00 -1.51 0.00 0.00 72.50 68.00 1sg6 s THR 282 CO 0.63 -0.14 1.59 -0.81 -2.21 0.00 0.00 174.62 173.68 1sg6 n PRO 283 N -0.93 0.67 -0.25 7.08 -0.04 -1.26 -4.87 135.00 135.41 1sg6 n PRO 283 Ca 0.09 -0.38 0.01 0.00 -0.04 0.00 0.00 63.50 63.19 1sg6 n PRO 283 Cb 0.51 -1.49 0.24 0.00 -0.04 0.00 0.00 33.50 32.71 1sg6 n PRO 283 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1sg6 h GLN 284 N 0.92 1.01 -5.50 0.54 7.50 -1.79 -3.41 115.11 114.38 1sg6 h GLN 284 Ca 0.00 -0.06 -0.64 0.00 0.50 0.00 0.00 58.65 58.45 1sg6 h GLN 284 Cb 0.49 -0.23 -0.18 0.00 0.05 0.00 0.00 27.48 27.61 1sg6 h GLN 284 CO 0.00 0.67 -0.62 0.42 -1.50 0.00 0.00 178.83 177.80 1sg6 s ILE 285 N -5.88 4.28 0.72 2.54 -1.09 -0.76 -4.96 121.20 116.05 1sg6 s ILE 285 Ca -0.11 -0.23 -0.11 0.00 -2.23 0.00 0.00 60.65 57.97 1sg6 s ILE 285 Cb 0.18 -2.87 0.03 0.00 -1.58 0.00 0.00 42.46 38.22 1sg6 s ILE 285 CO 0.79 0.52 1.07 -0.76 -1.23 0.00 0.00 174.94 175.33 1sg6 s LEU 286 N -0.02 3.02 0.13 2.97 1.43 -1.26 -4.29 118.68 120.66 1sg6 s LEU 286 Ca 0.03 1.59 -0.20 0.00 -1.03 0.00 0.00 54.13 54.52 1sg6 s LEU 286 Cb -0.13 -4.39 -0.02 0.00 0.03 0.00 0.00 46.19 41.68 1sg6 s LEU 286 CO 0.02 -1.62 1.70 -0.74 0.23 0.00 0.00 176.35 175.94 1sg6 h HIS 287 N -0.84 -0.15 -0.63 0.29 -0.00 -1.96 -1.70 115.15 110.16 1sg6 h HIS 287 Ca -0.44 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 59.91 1sg6 h HIS 287 Cb 1.22 0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 28.70 1sg6 h HIS 287 CO 0.59 -0.11 0.26 0.78 -0.00 0.00 0.00 177.93 179.45 1sg6 h GLY 288 N -0.03 0.98 1.01 5.26 0.00 -1.94 0.33 103.07 108.68 1sg6 h GLY 288 Ca 0.10 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1sg6 h GLY 288 CO -0.22 0.47 0.31 0.83 0.00 0.00 0.00 176.54 177.94 1sg6 h GLU 289 N 0.90 0.99 -0.40 4.80 5.08 -1.72 0.16 114.58 124.40 1sg6 h GLU 289 Ca 0.22 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1sg6 h GLU 289 Cb 0.16 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1sg6 h GLU 289 CO -0.02 0.80 -0.21 0.00 -1.00 0.00 0.00 179.01 178.58 1sg6 h VAL 291 N 0.65 1.22 -0.29 0.00 2.07 -0.61 -0.17 116.25 119.12 1sg6 h VAL 291 Ca 0.09 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1sg6 h VAL 291 Cb 0.77 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1sg6 h VAL 291 CO 0.06 0.32 0.18 0.00 0.02 0.00 0.00 177.57 178.14 1sg6 h ALA 292 N 1.45 0.37 -0.52 1.67 0.00 -0.59 0.34 119.26 121.98 1sg6 h ALA 292 Ca 0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1sg6 h ALA 292 Cb 0.47 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1sg6 h ALA 292 CO 0.03 -0.13 -0.04 0.82 0.00 0.00 0.00 179.25 179.93 1sg6 h ILE 293 N 0.37 1.26 -0.75 0.00 2.04 -1.29 -2.58 117.51 116.56 1sg6 h ILE 293 Ca 0.10 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 1sg6 h ILE 293 Cb 0.01 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1sg6 h ILE 293 CO -0.02 0.40 0.41 1.23 0.00 0.00 0.00 178.15 180.17 1sg6 h GLY 294 N 0.98 1.12 0.97 5.37 0.00 -0.27 -1.52 103.07 109.72 1sg6 h GLY 294 Ca 0.15 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 1sg6 h GLY 294 CO 0.03 0.48 0.16 -0.33 0.00 0.00 0.00 176.54 176.88 1sg6 h MET 295 N 1.05 0.76 -0.20 4.80 2.86 -0.03 0.41 114.93 124.58 1sg6 h MET 295 Ca 0.27 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1sg6 h MET 295 Cb 0.03 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1sg6 h MET 295 CO -0.04 0.71 0.12 0.28 1.06 0.00 0.00 176.91 179.04 1sg6 h VAL 296 N 0.66 1.09 -0.72 -2.22 2.07 -1.08 -0.32 116.25 115.72 1sg6 h VAL 296 Ca 0.16 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 1sg6 h VAL 296 Cb 0.27 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1sg6 h VAL 296 CO -0.01 0.08 0.21 0.11 0.02 0.00 0.00 177.57 177.99 1sg6 h LYS 297 N 0.24 1.13 0.00 1.57 1.79 -1.11 -0.73 116.57 119.46 1sg6 h LYS 297 Ca 0.07 -0.25 -0.09 0.00 -2.18 0.00 0.00 60.65 58.20 1sg6 h LYS 297 Cb 0.03 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 1sg6 h LYS 297 CO -0.01 0.98 -0.44 0.93 -1.08 0.00 0.00 179.45 179.83 1sg6 h GLU 298 N 1.08 0.00 -0.17 3.15 5.08 -0.73 -0.93 114.58 122.06 1sg6 h GLU 298 Ca 0.23 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.40 1sg6 h GLU 298 Cb 0.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.58 1sg6 h GLU 298 CO -0.00 0.44 -0.66 0.00 -1.00 0.00 0.00 179.01 177.79 1sg6 h ALA 299 N 1.56 0.30 0.00 3.43 0.00 -0.66 -2.16 119.26 121.74 1sg6 h ALA 299 Ca -0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 1sg6 h ALA 299 Cb 0.83 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1sg6 h ALA 299 CO 0.06 0.59 -0.23 0.93 0.00 0.00 0.00 179.25 180.60 1sg6 h GLU 300 N 0.45 0.00 -0.24 0.00 5.08 -0.86 -1.03 114.58 117.98 1sg6 h GLU 300 Ca -0.03 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 1sg6 h GLU 300 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1sg6 h GLU 300 CO 0.14 0.23 -0.44 1.25 -1.00 0.00 0.00 179.01 179.19 1sg6 h LEU 301 N 0.00 0.80 -1.11 1.33 5.85 -0.98 -0.10 115.31 121.11 1sg6 h LEU 301 Ca -0.00 -0.53 -0.03 0.00 0.84 0.00 0.00 57.88 58.16 1sg6 h LEU 301 Cb 0.48 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1sg6 h LEU 301 CO 0.03 1.19 0.30 0.00 -0.34 0.00 0.00 178.44 179.61 1sg6 h ALA 302 N 0.64 1.30 -0.33 1.25 0.00 -0.74 -1.00 119.26 120.38 1sg6 h ALA 302 Ca 0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1sg6 h ALA 302 Cb 1.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1sg6 h ALA 302 CO 0.10 0.53 -0.18 -0.09 0.00 0.00 0.00 179.25 179.61 1sg6 h ARG 303 N 0.92 0.70 -0.74 0.00 2.43 -1.02 0.17 114.38 116.84 1sg6 h ARG 303 Ca 0.22 -0.32 0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1sg6 h ARG 303 Cb 0.12 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.60 1sg6 h ARG 303 CO -0.03 0.92 0.42 1.25 -1.51 0.00 0.00 179.97 181.03 1sg6 h HIS 304 N 0.47 0.78 0.00 2.20 2.76 -0.52 -0.17 115.15 120.66 1sg6 h HIS 304 Ca 0.07 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1sg6 h HIS 304 Cb 0.72 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.44 1sg6 h HIS 304 CO 0.06 0.37 0.00 1.28 -1.30 0.00 0.00 177.93 178.34 1sg6 n LEU 305 N -4.74 0.00 0.00 0.26 4.77 -0.42 -4.86 117.00 112.00 1sg6 n LEU 305 Ca 0.10 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1sg6 n LEU 305 Cb 0.19 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1sg6 n LEU 305 CO 0.29 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1sg6 n GLY 306 N 0.65 0.52 0.10 -0.72 0.00 -0.08 -4.94 105.19 100.71 1sg6 n GLY 306 Ca 0.10 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 1sg6 n GLY 306 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1sg6 h ILE 307 N 0.00 0.81 -4.20 -0.61 2.04 -0.88 -3.47 117.51 111.20 1sg6 h ILE 307 Ca 0.00 -2.63 -0.69 0.00 1.00 0.00 0.00 64.86 62.54 1sg6 h ILE 307 Cb 0.00 2.46 -0.28 0.00 -0.74 0.00 0.00 36.82 38.26 1sg6 h ILE 307 CO 0.00 0.61 -0.84 -0.22 0.00 0.00 0.00 178.15 177.69 1sg6 s LEU 308 N -6.37 2.31 0.42 1.44 2.96 -0.76 -4.28 118.68 114.40 1sg6 s LEU 308 Ca -0.09 -0.39 -0.24 0.00 -0.22 0.00 0.00 54.13 53.19 1sg6 s LEU 308 Cb 0.08 -1.43 -0.08 0.00 0.50 0.00 0.00 46.19 45.25 1sg6 s LEU 308 CO 0.81 0.30 1.11 -0.54 -1.32 0.00 0.00 176.35 176.71 1sg6 s LYS 309 N -0.48 4.02 0.35 1.98 3.01 -1.26 -3.95 119.74 123.42 1sg6 s LYS 309 Ca 0.06 1.66 0.03 0.00 -1.01 0.00 0.00 55.97 56.71 1sg6 s LYS 309 Cb -0.11 -2.53 0.67 0.00 -1.01 0.00 0.00 37.83 34.84 1sg6 s LYS 309 CO 0.01 -0.30 1.99 0.78 0.51 0.00 0.00 175.35 178.35 1sg6 h GLY 310 N 2.40 0.92 1.50 -3.33 0.00 -1.98 -1.51 103.07 101.07 1sg6 h GLY 310 Ca -0.49 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 46.51 1sg6 h GLY 310 CO 0.62 0.29 0.29 -2.08 0.00 0.00 0.00 176.54 175.66 1sg6 h VAL 311 N 0.83 1.14 -0.35 4.60 2.07 -2.00 -1.35 116.25 121.20 1sg6 h VAL 311 Ca 0.26 -0.33 -0.12 0.00 0.82 0.00 0.00 66.70 67.33 1sg6 h VAL 311 Cb 0.02 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1sg6 h VAL 311 CO -0.07 0.15 -0.26 0.00 0.02 0.00 0.00 177.57 177.41 1sg6 h ALA 312 N 1.64 0.51 -0.86 1.67 0.00 -1.67 -2.42 119.26 118.13 1sg6 h ALA 312 Ca 0.18 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1sg6 h ALA 312 Cb -0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1sg6 h ALA 312 CO -0.03 0.51 0.56 0.28 0.00 0.00 0.00 179.25 180.56 1sg6 h VAL 313 N 0.58 1.22 -0.74 0.00 2.07 -0.99 -1.57 116.25 116.82 1sg6 h VAL 313 Ca 0.07 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1sg6 h VAL 313 Cb 0.83 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1sg6 h VAL 313 CO 0.07 0.22 0.41 0.28 0.02 0.00 0.00 177.57 178.57 1sg6 h SER 314 N 1.17 0.93 -0.77 0.57 0.02 -1.13 -0.85 113.55 113.49 1sg6 h SER 314 Ca 0.31 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 1sg6 h SER 314 Cb -0.12 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.15 1sg6 h SER 314 CO -0.07 0.76 0.33 0.03 -1.14 0.00 0.00 176.83 176.74 1sg6 h ARG 315 N 1.03 1.13 0.03 3.45 3.08 -0.93 -1.17 114.38 121.00 1sg6 h ARG 315 Ca 0.26 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1sg6 h ARG 315 Cb 0.03 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.89 1sg6 h ARG 315 CO -0.04 0.90 -0.01 0.82 -1.07 0.00 0.00 179.97 180.57 1sg6 h ILE 316 N 1.09 1.12 -0.31 2.04 2.04 -0.83 -0.38 117.51 122.29 1sg6 h ILE 316 Ca 0.26 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1sg6 h ILE 316 Cb 0.18 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1sg6 h ILE 316 CO -0.03 0.12 0.07 0.58 0.00 0.00 0.00 178.15 178.89 1sg6 h VAL 317 N -0.25 0.86 -0.48 1.67 2.07 -1.06 -1.80 116.25 117.26 1sg6 h VAL 317 Ca -0.00 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 1sg6 h VAL 317 Cb 0.23 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1sg6 h VAL 317 CO 0.01 0.03 0.07 0.11 0.02 0.00 0.00 177.57 177.81 1sg6 h LYS 318 N 0.18 0.76 -0.29 1.57 1.57 -1.12 -1.89 116.57 117.34 1sg6 h LYS 318 Ca 0.14 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1sg6 h LYS 318 Cb 0.15 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1sg6 h LYS 318 CO -0.19 0.72 -0.17 0.00 -0.57 0.00 0.00 179.45 179.25 1sg6 h LEU 320 N 0.38 0.06 -1.27 0.00 3.38 -1.20 -2.34 115.31 114.32 1sg6 h LEU 320 Ca 0.06 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1sg6 h LEU 320 Cb 0.70 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1sg6 h LEU 320 CO 0.05 0.06 0.11 0.00 0.09 0.00 0.00 178.44 178.75 1sg6 h ALA 321 N 1.13 1.41 -0.77 1.53 0.00 -1.25 -1.75 119.26 119.57 1sg6 h ALA 321 Ca 0.09 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1sg6 h ALA 321 Cb 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1sg6 h ALA 321 CO -0.10 0.43 0.51 0.00 0.00 0.00 0.00 179.25 180.09 1sg6 h ALA 322 N 1.52 1.53 -0.32 0.00 0.00 -0.44 -0.39 119.26 121.16 1sg6 h ALA 322 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1sg6 h ALA 322 Cb 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1sg6 h ALA 322 CO -0.01 0.40 0.00 0.66 0.00 0.00 0.00 179.25 180.31 1sg6 n TYR 323 N -4.45 0.42 -0.84 0.00 4.01 -0.96 -4.86 117.16 110.48 1sg6 n TYR 323 Ca 0.10 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1sg6 n TYR 323 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1sg6 n TYR 323 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sg6 n GLY 324 N 1.00 0.56 3.86 2.72 0.00 -0.15 -4.79 105.19 108.39 1sg6 n GLY 324 Ca 0.11 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1sg6 n GLY 324 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sg6 s LEU 325 N 0.00 4.17 0.55 0.99 1.43 -0.70 -4.99 118.68 120.14 1sg6 s LEU 325 Ca 0.00 1.09 -0.18 0.00 -1.03 0.00 0.00 54.13 54.00 1sg6 s LEU 325 Cb 0.00 -3.75 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 1sg6 s LEU 325 CO 0.00 -0.09 1.08 -2.16 0.23 0.00 0.00 176.35 175.42 1sg6 s PRO 326 N -2.71 3.40 0.00 1.29 0.04 -1.26 -3.88 135.00 131.88 1sg6 s PRO 326 Ca 0.48 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1sg6 s PRO 326 Cb -0.12 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1sg6 s PRO 326 CO 0.20 -0.77 0.63 0.25 0.04 0.00 0.00 177.00 177.34 1sg6 n THR 327 N -1.50 0.38 -3.70 1.26 -2.24 -1.26 -3.77 114.28 103.45 1sg6 n THR 327 Ca 0.10 -0.55 -0.14 0.00 -2.27 0.00 0.00 64.05 61.19 1sg6 n THR 327 Cb 0.52 0.94 -0.08 0.00 -2.10 0.00 0.00 70.33 69.61 1sg6 n THR 327 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1sg6 s SER 328 N -0.38 -0.32 0.53 3.42 0.15 -1.26 -4.84 113.70 111.00 1sg6 s SER 328 Ca 0.00 0.27 0.31 0.00 0.70 0.00 0.00 55.95 57.24 1sg6 s SER 328 Cb 0.00 0.39 1.40 0.00 -1.71 0.00 0.00 66.02 66.11 1sg6 s SER 328 CO 0.00 -0.48 2.01 -0.07 1.20 0.00 0.00 173.24 175.91 1sg6 h LEU 329 N 3.71 0.00 -1.10 3.45 3.38 -1.97 -1.87 115.31 120.92 1sg6 h LEU 329 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1sg6 h LEU 329 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1sg6 h LEU 329 CO 0.39 0.08 0.00 0.29 0.09 0.00 0.00 178.44 179.29 1sg6 n LYS 330 N -3.29 1.69 -1.68 1.13 5.02 -1.26 -4.59 118.16 115.19 1sg6 n LYS 330 Ca -0.00 -1.08 -0.46 0.00 -2.02 0.00 0.00 58.31 54.75 1sg6 n LYS 330 Cb 0.29 -1.23 -0.04 0.00 -0.02 0.00 0.00 35.03 34.03 1sg6 n LYS 330 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1sg6 n ASP 331 N 0.38 3.50 -0.31 4.39 -0.08 -0.71 -4.83 116.55 118.90 1sg6 n ASP 331 Ca 0.10 1.00 0.02 0.00 -1.51 0.00 0.00 54.79 54.40 1sg6 n ASP 331 Cb 0.25 -1.43 0.09 0.00 2.34 0.00 0.00 41.12 42.37 1sg6 n ASP 331 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sg6 h ALA 332 N 8.24 0.42 -0.50 -1.67 0.00 -1.91 -0.39 119.26 123.46 1sg6 h ALA 332 Ca -0.47 0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1sg6 h ALA 332 Cb 1.26 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 1sg6 h ALA 332 CO 0.93 -0.47 -0.11 -0.09 0.00 0.00 0.00 179.25 179.51 1sg6 h ARG 333 N -0.02 0.92 -0.38 0.00 2.43 -1.99 -1.84 114.38 113.51 1sg6 h ARG 333 Ca 0.38 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1sg6 h ARG 333 Cb 0.62 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1sg6 h ARG 333 CO -0.88 0.98 0.23 0.82 -1.51 0.00 0.00 179.97 179.61 1sg6 h ILE 334 N 0.83 1.12 -0.78 1.20 1.08 -1.51 -1.78 117.51 117.66 1sg6 h ILE 334 Ca 0.13 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 1sg6 h ILE 334 Cb 0.64 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 34.97 1sg6 h ILE 334 CO 0.04 0.12 0.44 0.03 -0.69 0.00 0.00 178.15 178.09 1sg6 h ARG 335 N 0.50 1.08 0.00 2.37 2.47 -0.96 -1.84 114.38 118.00 1sg6 h ARG 335 Ca 0.14 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1sg6 h ARG 335 Cb -0.01 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.09 1sg6 h ARG 335 CO -0.03 0.78 0.00 0.36 0.56 0.00 0.00 179.97 181.64 1sg6 n LYS 336 N -4.36 0.21 0.05 0.04 2.85 -0.71 -2.82 118.16 113.43 1sg6 n LYS 336 Ca 0.08 0.21 0.08 0.00 -1.05 0.00 0.00 58.31 57.63 1sg6 n LYS 336 Cb 0.09 -1.76 -0.07 0.00 -0.65 0.00 0.00 35.03 32.65 1sg6 n LYS 336 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1sg6 n LEU 337 N -2.12 0.60 -2.44 -5.58 4.77 -0.70 -4.39 117.00 107.15 1sg6 n LEU 337 Ca 0.05 0.24 -0.20 0.00 -0.03 0.00 0.00 56.01 56.07 1sg6 n LEU 337 Cb 0.39 0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1sg6 n LEU 337 CO 0.28 -0.05 0.11 0.35 -1.33 0.00 0.00 177.39 176.76 1sg6 n THR 338 N -2.62 2.05 -1.71 -5.08 -2.24 -0.75 -4.86 114.28 99.07 1sg6 n THR 338 Ca -0.04 -4.23 -0.42 0.00 -2.27 0.00 0.00 64.05 57.09 1sg6 n THR 338 Cb 0.64 -0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1sg6 n THR 338 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sg6 s ALA 339 N -3.50 3.88 0.00 6.98 0.00 -1.13 -1.37 121.76 126.63 1sg6 s ALA 339 Ca 0.43 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1sg6 s ALA 339 Cb 0.41 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1sg6 s ALA 339 CO -0.08 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.05 1sg6 n GLY 340 N 4.08 0.81 3.19 0.00 0.00 -1.26 -5.07 105.19 106.94 1sg6 n GLY 340 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1sg6 n GLY 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sg6 s LYS 341 N -0.92 1.30 -0.18 1.61 1.02 -0.47 -5.14 119.74 116.95 1sg6 s LYS 341 Ca 0.00 -0.76 -0.16 0.00 0.02 0.00 0.00 55.97 55.08 1sg6 s LYS 341 Cb 0.00 -1.32 0.05 0.00 -0.52 0.00 0.00 37.83 36.04 1sg6 s LYS 341 CO 0.00 0.35 0.47 -1.58 -0.92 0.00 0.00 175.35 173.67 1sg6 s HIS 342 N -0.63 -0.54 -0.44 3.18 2.46 -1.26 -5.00 115.29 113.06 1sg6 s HIS 342 Ca 0.06 1.29 -0.10 0.00 0.47 0.00 0.00 55.06 56.78 1sg6 s HIS 342 Cb -0.08 0.20 0.09 0.00 -0.13 0.00 0.00 32.58 32.66 1sg6 s HIS 342 CO 0.01 -0.27 0.29 0.00 -2.47 0.00 0.00 174.74 172.30 1sg6 s SER 344 N 2.29 5.53 0.16 0.00 1.04 -1.26 -4.88 113.70 116.58 1sg6 s SER 344 Ca 0.04 0.96 -0.14 0.00 0.48 0.00 0.00 55.95 57.28 1sg6 s SER 344 Cb -0.24 -1.85 0.04 0.00 0.10 0.00 0.00 66.02 64.07 1sg6 s SER 344 CO 0.02 -1.20 1.75 0.58 0.98 0.00 0.00 173.24 175.36 1sg6 h VAL 345 N -0.43 1.18 -0.97 5.02 2.07 -1.96 -0.68 116.25 120.48 1sg6 h VAL 345 Ca -0.45 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 66.59 1sg6 h VAL 345 Cb 1.25 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1sg6 h VAL 345 CO 0.62 0.20 0.64 0.44 0.02 0.00 0.00 177.57 179.49 1sg6 h ASP 346 N 0.65 1.11 -0.35 0.57 3.32 -1.99 0.05 116.42 119.77 1sg6 h ASP 346 Ca 0.17 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1sg6 h ASP 346 Cb 0.09 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1sg6 h ASP 346 CO -0.02 0.80 0.19 -0.61 -1.72 0.00 0.00 179.24 177.87 1sg6 h GLN 347 N 1.31 0.49 -0.29 3.56 5.75 -1.83 -1.17 115.11 122.91 1sg6 h GLN 347 Ca 0.36 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.75 1sg6 h GLN 347 Cb -0.14 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.30 1sg6 h GLN 347 CO -0.08 0.41 0.01 -0.07 -2.65 0.00 0.00 178.83 176.45 1sg6 h LEU 348 N 0.44 0.50 -1.21 -2.39 3.38 -0.61 -2.22 115.31 113.19 1sg6 h LEU 348 Ca 0.12 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1sg6 h LEU 348 Cb 0.07 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1sg6 h LEU 348 CO -0.02 0.67 0.35 0.24 0.09 0.00 0.00 178.44 179.77 1sg6 h MET 349 N 0.31 0.89 -0.08 1.13 2.86 -0.91 -1.51 114.93 117.61 1sg6 h MET 349 Ca 0.08 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1sg6 h MET 349 Cb 0.41 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1sg6 h MET 349 CO 0.01 0.66 0.04 0.35 1.06 0.00 0.00 176.91 179.03 1sg6 h PHE 350 N 0.90 0.11 0.00 -0.22 3.57 -1.02 -2.69 116.94 117.59 1sg6 h PHE 350 Ca 0.23 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1sg6 h PHE 350 Cb 0.03 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 1sg6 h PHE 350 CO 0.01 0.18 -0.15 -0.91 -2.23 0.00 0.00 178.31 175.20 1sg6 h ASN 351 N 0.01 0.00 0.57 0.41 2.35 -1.01 -1.82 115.58 116.10 1sg6 h ASN 351 Ca 0.03 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 1sg6 h ASN 351 Cb 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1sg6 h ASN 351 CO -0.00 0.15 -0.55 0.24 -1.65 0.00 0.00 177.43 175.62 1sg6 h MET 352 N 0.00 0.00 -3.23 0.81 2.86 -0.98 -3.34 114.93 111.06 1sg6 h MET 352 Ca -0.00 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.36 1sg6 h MET 352 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1sg6 h MET 352 CO 0.02 0.55 1.83 0.00 1.06 0.00 0.00 176.91 180.37 1sg6 n ALA 353 N -2.43 4.20 -1.79 6.32 0.00 -0.68 -5.06 120.51 121.07 1sg6 n ALA 353 Ca -0.01 -1.57 0.00 0.00 0.00 0.00 0.00 53.44 51.85 1sg6 n ALA 353 Cb 0.56 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.24 1sg6 n ALA 353 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sg6 n LEU 354 N 3.87 0.00 -3.88 0.00 4.77 -1.25 -5.06 117.00 115.45 1sg6 n LEU 354 Ca 0.35 -0.68 -0.07 0.00 -0.03 0.00 0.00 56.01 55.58 1sg6 n LEU 354 Cb 0.21 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1sg6 n LEU 354 CO 0.55 0.46 0.42 -0.54 -1.33 0.00 0.00 177.39 176.95 1sg6 s LYS 363 N 0.00 1.76 -0.28 3.23 1.02 -0.11 -5.23 119.74 120.11 1sg6 s LYS 363 Ca 0.00 -1.05 -0.06 0.00 0.02 0.00 0.00 55.97 54.88 1sg6 s LYS 363 Cb 0.00 0.58 0.01 0.00 -0.52 0.00 0.00 37.83 37.90 1sg6 s LYS 363 CO 0.00 -0.79 0.06 0.15 -0.92 0.00 0.00 175.35 173.84 1sg6 s LYS 364 N -3.90 3.08 -0.02 1.68 1.02 -1.26 -0.54 119.74 119.80 1sg6 s LYS 364 Ca 0.13 -0.86 0.04 0.00 0.02 0.00 0.00 55.97 55.30 1sg6 s LYS 364 Cb -0.05 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1sg6 s LYS 364 CO 0.08 -0.42 -0.13 0.42 -0.92 0.00 0.00 175.35 174.37 1sg6 s ILE 365 N 1.48 1.04 -0.12 2.17 1.01 -0.24 -4.85 121.20 121.69 1sg6 s ILE 365 Ca 0.02 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 1sg6 s ILE 365 Cb -0.17 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 1sg6 s ILE 365 CO 0.01 0.30 1.23 -0.69 0.00 0.00 0.00 174.94 175.80 1sg6 s VAL 366 N -0.12 4.27 -0.10 2.92 1.01 -1.26 -0.17 120.40 126.95 1sg6 s VAL 366 Ca 0.02 1.56 -0.01 0.00 0.00 0.00 0.00 61.98 63.55 1sg6 s VAL 366 Cb -0.07 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1sg6 s VAL 366 CO 0.00 -0.08 -0.07 -0.76 0.00 0.00 0.00 175.10 174.20 1sg6 s LEU 367 N 2.94 3.14 -0.12 3.92 1.43 -1.26 -4.81 118.68 123.92 1sg6 s LEU 367 Ca 0.55 -0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.52 1sg6 s LEU 367 Cb -0.23 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1sg6 s LEU 367 CO 0.18 0.29 0.07 -0.76 0.23 0.00 0.00 176.35 176.35 1sg6 s LEU 368 N -0.36 3.95 0.03 1.79 1.43 -1.26 0.24 118.68 124.50 1sg6 s LEU 368 Ca 0.05 0.26 0.23 0.00 -1.03 0.00 0.00 54.13 53.64 1sg6 s LEU 368 Cb -0.12 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 1sg6 s LEU 368 CO 0.02 0.35 0.98 -1.54 0.23 0.00 0.00 176.35 176.40 1sg6 n SER 369 N 2.33 0.62 -3.58 2.29 3.41 -0.11 -3.83 113.62 114.75 1sg6 n SER 369 Ca -0.19 -0.32 -0.05 0.00 -0.26 0.00 0.00 58.87 58.05 1sg6 n SER 369 Cb 0.54 0.90 -0.02 0.00 -0.26 0.00 0.00 64.21 65.36 1sg6 n SER 369 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sg6 s ALA 370 N -3.18 -2.02 0.05 7.33 0.00 -1.06 -4.49 121.76 118.39 1sg6 s ALA 370 Ca 0.04 1.50 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 1sg6 s ALA 370 Cb 0.15 -0.05 -0.09 0.00 0.00 0.00 0.00 23.12 23.13 1sg6 s ALA 370 CO 0.82 -0.60 1.80 0.42 0.00 0.00 0.00 175.76 178.20 1sg6 s ILE 371 N -2.50 2.99 0.00 0.00 1.01 -1.26 -0.92 121.20 120.52 1sg6 s ILE 371 Ca 0.08 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.99 1sg6 s ILE 371 Cb -0.01 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1sg6 s ILE 371 CO -0.05 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.48 1sg6 n GLY 372 N 4.26 0.88 2.80 6.18 0.00 0.16 -4.21 105.19 115.27 1sg6 n GLY 372 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1sg6 n GLY 372 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sg6 s THR 373 N -2.32 0.97 0.55 2.61 2.01 -0.10 -3.82 115.64 115.54 1sg6 s THR 373 Ca 0.00 -1.08 -0.20 0.00 0.31 0.00 0.00 61.69 60.71 1sg6 s THR 373 Cb 0.00 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 1sg6 s THR 373 CO 0.00 -0.35 1.20 -2.84 -0.69 0.00 0.00 174.62 171.93 1sg6 s PRO 374 N 1.62 3.24 0.19 4.92 0.02 -1.26 -0.93 135.00 142.79 1sg6 s PRO 374 Ca 0.02 1.81 -0.09 0.00 0.02 0.00 0.00 61.00 62.75 1sg6 s PRO 374 Cb -0.18 -2.07 0.10 0.00 0.02 0.00 0.00 34.50 32.37 1sg6 s PRO 374 CO -0.13 -0.99 1.71 -0.92 -0.33 0.00 0.00 177.00 176.34 1sg6 h TYR 375 N 1.25 1.12 -3.91 6.54 3.20 -0.48 -3.41 116.97 121.28 1sg6 h TYR 375 Ca -0.50 -0.13 -0.22 0.00 3.14 0.00 0.00 58.73 61.02 1sg6 h TYR 375 Cb 1.28 -0.32 -0.15 0.00 1.54 0.00 0.00 36.73 39.08 1sg6 h TYR 375 CO 0.49 0.91 -0.68 -1.21 -1.64 0.00 0.00 178.16 176.03 1sg6 s GLU 376 N -5.35 0.88 -0.20 1.82 2.02 -1.26 -4.95 118.70 111.66 1sg6 s GLU 376 Ca -0.12 -1.38 -0.02 0.00 0.02 0.00 0.00 54.97 53.47 1sg6 s GLU 376 Cb 0.14 -0.13 0.07 0.00 0.10 0.00 0.00 34.13 34.32 1sg6 s GLU 376 CO 0.83 -0.08 2.28 0.25 0.02 0.00 0.00 175.26 178.57 1sg6 n THR 377 N -0.08 2.62 -3.64 3.63 -2.24 -1.26 -4.79 114.28 108.53 1sg6 n THR 377 Ca -0.10 -1.43 0.04 0.00 -2.27 0.00 0.00 64.05 60.28 1sg6 n THR 377 Cb 0.62 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 1sg6 n THR 377 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sg6 s ARG 378 N -0.92 0.03 0.35 -0.78 1.70 -1.26 -3.74 118.95 114.34 1sg6 s ARG 378 Ca 0.28 -0.02 -0.27 0.00 -0.47 0.00 0.00 55.73 55.25 1sg6 s ARG 378 Cb 0.19 0.01 -0.09 0.00 -0.57 0.00 0.00 34.95 34.49 1sg6 s ARG 378 CO -0.03 -0.01 1.22 0.00 -1.08 0.00 0.00 175.30 175.40 1sg6 s ALA 379 N -2.03 3.34 0.16 7.88 0.00 -1.26 -4.71 121.76 125.14 1sg6 s ALA 379 Ca 0.18 1.09 -0.04 0.00 0.00 0.00 0.00 51.96 53.20 1sg6 s ALA 379 Cb 0.06 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1sg6 s ALA 379 CO -0.06 -0.53 0.37 -1.12 0.00 0.00 0.00 175.76 174.42 1sg6 s SER 380 N -0.80 6.46 -0.18 0.00 0.01 0.76 -4.76 113.70 115.19 1sg6 s SER 380 Ca 0.52 0.53 -0.29 0.00 1.31 0.00 0.00 55.95 58.01 1sg6 s SER 380 Cb -0.35 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1sg6 s SER 380 CO 0.46 0.03 1.03 -0.69 0.41 0.00 0.00 173.24 174.48 1sg6 s VAL 381 N -1.71 4.71 0.00 3.43 1.01 -1.26 -1.08 120.40 125.49 1sg6 s VAL 381 Ca 0.40 2.02 0.06 0.00 0.00 0.00 0.00 61.98 64.46 1sg6 s VAL 381 Cb -0.12 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 1sg6 s VAL 381 CO 0.26 -0.10 -0.19 -0.69 0.00 0.00 0.00 175.10 174.38 1sg6 s VAL 382 N 2.71 1.50 0.33 2.92 1.01 0.29 -4.97 120.40 124.18 1sg6 s VAL 382 Ca 0.46 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 61.28 1sg6 s VAL 382 Cb -0.17 -1.26 -0.09 0.00 0.00 0.00 0.00 36.38 34.86 1sg6 s VAL 382 CO 0.11 0.35 1.02 0.00 0.00 0.00 0.00 175.10 176.58 1sg6 s ALA 383 N -0.54 3.23 0.31 5.51 0.00 -1.26 -0.94 121.76 128.08 1sg6 s ALA 383 Ca 0.07 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1sg6 s ALA 383 Cb -0.08 -3.25 0.59 0.00 0.00 0.00 0.00 23.12 20.38 1sg6 s ALA 383 CO -0.00 -0.03 1.90 -0.91 0.00 0.00 0.00 175.76 176.72 1sg6 h ASN 384 N 3.23 0.85 -0.66 0.00 2.35 -2.00 -2.07 115.58 117.29 1sg6 h ASN 384 Ca -0.47 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.34 1sg6 h ASN 384 Cb 1.21 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.37 1sg6 h ASN 384 CO 0.65 0.52 0.43 -0.33 -1.65 0.00 0.00 177.43 177.06 1sg6 h GLU 385 N 0.96 0.73 -0.01 0.81 5.08 -1.99 -0.93 114.58 119.22 1sg6 h GLU 385 Ca 0.41 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.52 1sg6 h GLU 385 Cb 0.31 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1sg6 h GLU 385 CO -0.17 0.48 -0.87 -0.44 -1.00 0.00 0.00 179.01 177.01 1sg6 h ASP 386 N 0.75 0.39 -0.56 1.42 3.32 -1.77 -2.91 116.42 117.06 1sg6 h ASP 386 Ca 0.27 -0.30 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 1sg6 h ASP 386 Cb 0.12 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1sg6 h ASP 386 CO -0.08 1.09 -0.07 0.40 -1.72 0.00 0.00 179.24 178.87 1sg6 h ILE 387 N 0.18 1.27 -0.24 0.35 2.04 -1.25 -2.86 117.51 116.99 1sg6 h ILE 387 Ca -0.05 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 1sg6 h ILE 387 Cb 1.49 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1sg6 h ILE 387 CO 0.14 0.43 0.10 0.03 0.00 0.00 0.00 178.15 178.85 1sg6 h ARG 388 N 0.91 0.33 -0.41 2.37 3.08 -1.11 -1.61 114.38 117.94 1sg6 h ARG 388 Ca 0.15 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 1sg6 h ARG 388 Cb 0.63 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1sg6 h ARG 388 CO 0.04 0.28 -0.26 -0.39 -1.07 0.00 0.00 179.97 178.57 1sg6 h VAL 389 N 0.34 1.27 -0.15 2.04 -1.51 -1.31 -2.03 116.25 114.91 1sg6 h VAL 389 Ca 0.09 -1.41 -0.11 0.00 -1.23 0.00 0.00 66.70 64.04 1sg6 h VAL 389 Cb 0.07 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.46 1sg6 h VAL 389 CO -0.01 0.47 -0.39 0.58 -1.23 0.00 0.00 177.57 176.99 1sg6 h VAL 390 N 0.73 1.30 -0.00 7.19 2.07 -1.31 -3.05 116.25 123.18 1sg6 h VAL 390 Ca 0.09 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1sg6 h VAL 390 Cb 0.81 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1sg6 h VAL 390 CO 0.07 0.46 -0.25 0.18 0.02 0.00 0.00 177.57 178.05 1sg6 n LEU 391 N -4.04 0.31 0.00 2.57 4.77 -0.66 -5.04 117.00 114.91 1sg6 n LEU 391 Ca -0.01 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1sg6 n LEU 391 Cb 0.48 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1sg6 n LEU 391 CO 0.42 0.07 0.15 0.00 -1.33 0.00 0.00 177.39 176.71