#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rf6 s LYS 2 N 0.00 4.18 0.27 3.17 1.02 -1.26 -1.06 119.74 126.06 1rf6 s LYS 2 Ca 0.00 0.40 -0.13 0.00 0.02 0.00 0.00 55.97 56.26 1rf6 s LYS 2 Cb 0.00 -3.57 -0.08 0.00 -0.52 0.00 0.00 37.83 33.66 1rf6 s LYS 2 CO 0.00 -0.15 0.65 -0.51 -0.92 0.00 0.00 175.35 174.41 1rf6 s LEU 3 N 1.65 4.13 0.21 3.17 1.02 -0.51 -4.99 118.68 123.35 1rf6 s LEU 3 Ca 0.24 1.12 -0.31 0.00 0.02 0.00 0.00 54.13 55.20 1rf6 s LEU 3 Cb -0.15 -3.86 -0.10 0.00 0.02 0.00 0.00 46.19 42.09 1rf6 s LEU 3 CO 0.09 -0.13 1.55 -0.54 0.02 0.00 0.00 176.35 177.35 1rf6 s LYS 4 N -2.84 4.21 0.38 1.70 3.01 -1.26 -4.61 119.74 120.33 1rf6 s LYS 4 Ca 0.50 2.40 0.07 0.00 -1.01 0.00 0.00 55.97 57.94 1rf6 s LYS 4 Cb -0.11 -3.11 -0.07 0.00 -1.01 0.00 0.00 37.83 33.52 1rf6 s LYS 4 CO 0.19 -0.58 -0.02 0.99 0.51 0.00 0.00 175.35 176.45 1rf6 s THR 5 N 0.67 1.99 -1.21 2.17 2.01 -1.26 -3.75 115.64 116.26 1rf6 s THR 5 Ca 0.67 -2.06 -0.33 0.00 0.31 0.00 0.00 61.69 60.28 1rf6 s THR 5 Cb -0.44 -2.88 0.04 0.00 0.01 0.00 0.00 72.50 69.23 1rf6 s THR 5 CO 0.37 -0.06 0.69 -3.20 -0.69 0.00 0.00 174.62 171.73 1rf6 n ASN 6 N -0.89 -4.21 -4.74 3.53 4.05 -0.16 -4.88 115.26 107.96 1rf6 n ASN 6 Ca -0.05 -1.27 -0.41 0.00 0.45 0.00 0.00 54.58 53.30 1rf6 n ASN 6 Cb 0.66 -1.89 -0.04 0.00 1.23 0.00 0.00 39.78 39.74 1rf6 n ASN 6 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1rf6 s ILE 7 N -3.53 3.64 -0.07 -1.44 1.10 -0.48 -4.92 121.20 115.50 1rf6 s ILE 7 Ca 0.49 1.39 0.22 0.00 -0.51 0.00 0.00 60.65 62.24 1rf6 s ILE 7 Cb -0.26 -3.89 -0.31 0.00 0.15 0.00 0.00 42.46 38.16 1rf6 s ILE 7 CO 0.96 0.22 0.54 0.54 -2.11 0.00 0.00 174.94 175.10 1rf6 n ARG 8 N 2.49 0.64 -3.61 3.50 5.12 -1.26 -4.69 116.66 118.85 1rf6 n ARG 8 Ca 0.04 -0.17 -0.14 0.00 -1.93 0.00 0.00 57.85 55.65 1rf6 n ARG 8 Cb 0.45 -1.55 -0.07 0.00 -1.16 0.00 0.00 32.46 30.14 1rf6 n ARG 8 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1rf6 s HIS 9 N -3.49 -0.70 -0.08 -1.55 2.46 -1.26 -4.41 115.29 106.26 1rf6 s HIS 9 Ca -0.07 1.61 -0.00 0.00 0.47 0.00 0.00 55.06 57.06 1rf6 s HIS 9 Cb 0.14 0.32 0.03 0.00 -0.13 0.00 0.00 32.58 32.93 1rf6 s HIS 9 CO 0.90 -0.40 -0.04 -0.51 -2.47 0.00 0.00 174.74 172.22 1rf6 s LEU 10 N -0.01 0.95 -0.22 8.88 1.43 -1.22 -4.54 118.68 123.95 1rf6 s LEU 10 Ca -0.02 -0.17 -0.20 0.00 -1.03 0.00 0.00 54.13 52.71 1rf6 s LEU 10 Cb -0.04 -0.58 0.06 0.00 0.03 0.00 0.00 46.19 45.66 1rf6 s LEU 10 CO 0.02 -0.13 0.58 -1.38 0.23 0.00 0.00 176.35 175.67 1rf6 s HIS 11 N 1.63 -0.64 0.00 0.29 -3.43 -1.12 -1.49 115.29 110.53 1rf6 s HIS 11 Ca 0.01 1.56 0.00 0.00 -0.80 0.00 0.00 55.06 55.83 1rf6 s HIS 11 Cb -0.13 0.22 0.00 0.00 -1.43 0.00 0.00 32.58 31.24 1rf6 s HIS 11 CO -0.05 -0.31 0.00 0.41 -2.00 0.00 0.00 174.74 172.79 1rf6 n GLY 12 N 2.75 0.74 3.51 -1.38 0.00 -1.20 -4.48 105.19 105.13 1rf6 n GLY 12 Ca -0.14 -1.58 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 1rf6 n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rf6 s ILE 13 N -1.63 3.88 -0.03 -0.61 1.01 -1.26 -1.83 121.20 120.73 1rf6 s ILE 13 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.32 1rf6 s ILE 13 Cb 0.00 -2.69 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 1rf6 s ILE 13 CO 0.00 0.51 -0.15 -0.63 0.00 0.00 0.00 174.94 174.67 1rf6 s ILE 14 N 0.22 1.24 -0.48 2.92 1.01 -0.39 -4.99 121.20 120.73 1rf6 s ILE 14 Ca -0.02 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 1rf6 s ILE 14 Cb -0.14 -1.07 0.13 0.00 0.01 0.00 0.00 42.46 41.39 1rf6 s ILE 14 CO 0.03 0.36 0.26 -0.13 0.00 0.00 0.00 174.94 175.46 1rf6 s ARG 15 N -0.00 2.10 0.68 2.79 0.52 -1.26 -2.08 118.95 121.69 1rf6 s ARG 15 Ca -0.02 -2.15 -0.17 0.00 -0.52 0.00 0.00 55.73 52.87 1rf6 s ARG 15 Cb -0.10 -3.54 0.01 0.00 0.52 0.00 0.00 34.95 31.84 1rf6 s ARG 15 CO 0.01 -1.09 1.28 1.33 0.02 0.00 0.00 175.30 176.85 1rf6 n VAL 16 N 4.01 4.44 -0.44 3.52 0.24 -1.26 -4.98 118.33 123.86 1rf6 n VAL 16 Ca 0.03 -0.45 -0.30 0.00 -2.04 0.00 0.00 64.34 61.58 1rf6 n VAL 16 Cb 0.39 -1.44 0.28 0.00 -1.47 0.00 0.00 33.84 31.60 1rf6 n VAL 16 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1rf6 s PRO 17 N -3.50 -2.28 0.87 7.34 0.04 -1.26 -4.52 135.00 131.69 1rf6 s PRO 17 Ca 0.81 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 1rf6 s PRO 17 Cb -0.36 -1.43 0.12 0.00 0.04 0.00 0.00 34.50 32.86 1rf6 s PRO 17 CO 0.42 -4.50 1.16 0.20 0.04 0.00 0.00 177.00 174.32 1rf6 s GLY 18 N -2.93 1.85 0.08 0.56 0.00 -1.26 -1.67 107.32 103.95 1rf6 s GLY 18 Ca 0.69 0.66 -0.31 0.00 0.00 0.00 0.00 44.72 45.76 1rf6 s GLY 18 CO 0.60 1.07 1.64 -0.35 0.00 0.00 0.00 173.10 176.07 1rf6 s ASP 19 N -2.54 6.60 0.06 1.64 -1.08 -0.09 -4.10 116.67 117.15 1rf6 s ASP 19 Ca 0.69 2.50 -0.23 0.00 -0.52 0.00 0.00 52.55 54.98 1rf6 s ASP 19 Cb -0.24 -2.57 -0.15 0.00 -1.46 0.00 0.00 42.92 38.50 1rf6 s ASP 19 CO 0.55 -0.88 1.57 0.50 0.52 0.00 0.00 175.17 177.43 1rf6 h LYS 20 N 8.18 0.07 -0.45 4.34 3.64 -1.92 -1.26 116.57 129.18 1rf6 h LYS 20 Ca -0.43 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.96 1rf6 h LYS 20 Cb 1.20 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1rf6 h LYS 20 CO 0.93 0.23 0.28 0.77 -2.27 0.00 0.00 179.45 179.39 1rf6 h SER 21 N -0.11 0.46 -0.28 4.20 0.02 -2.00 -1.84 113.55 114.00 1rf6 h SER 21 Ca 0.01 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 1rf6 h SER 21 Cb 0.19 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1rf6 h SER 21 CO -0.00 0.33 -0.20 0.40 -1.14 0.00 0.00 176.83 176.22 1rf6 h ILE 22 N 0.56 1.27 -0.29 3.27 2.04 -1.96 -2.64 117.51 119.76 1rf6 h ILE 22 Ca 0.17 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 1rf6 h ILE 22 Cb -0.02 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1rf6 h ILE 22 CO -0.07 0.43 0.11 0.28 0.00 0.00 0.00 178.15 178.91 1rf6 h SER 23 N 0.66 0.40 -0.28 1.72 0.02 -0.94 0.17 113.55 115.29 1rf6 h SER 23 Ca 0.10 -0.17 0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1rf6 h SER 23 Cb 0.69 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 1rf6 h SER 23 CO 0.05 0.46 -0.00 0.45 -1.14 0.00 0.00 176.83 176.65 1rf6 h HIS 24 N 0.32 -0.02 -0.41 3.45 3.86 -1.27 -2.50 115.15 118.57 1rf6 h HIS 24 Ca 0.10 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.25 1rf6 h HIS 24 Cb 0.18 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 1rf6 h HIS 24 CO -0.01 -0.05 -0.04 0.00 0.86 0.00 0.00 177.93 178.70 1rf6 h ARG 25 N 0.08 0.69 -0.86 2.45 3.08 -1.27 -2.56 114.38 116.00 1rf6 h ARG 25 Ca 0.13 -0.19 0.08 0.00 0.07 0.00 0.00 59.98 60.07 1rf6 h ARG 25 Cb 0.18 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 1rf6 h ARG 25 CO -0.23 0.74 0.56 0.66 -1.07 0.00 0.00 179.97 180.63 1rf6 h SER 26 N 0.64 0.81 -0.26 7.04 4.64 -0.51 0.13 113.55 126.04 1rf6 h SER 26 Ca 0.12 0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.26 1rf6 h SER 26 Cb 0.46 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1rf6 h SER 26 CO 0.02 0.50 -0.58 0.40 -0.87 0.00 0.00 176.83 176.30 1rf6 h ILE 27 N 0.91 1.27 0.13 0.95 1.08 -1.27 -0.38 117.51 120.19 1rf6 h ILE 27 Ca 0.38 -1.77 -0.01 0.00 -0.39 0.00 0.00 64.86 63.07 1rf6 h ILE 27 Cb 0.29 1.70 0.00 0.00 -3.07 0.00 0.00 36.82 35.74 1rf6 h ILE 27 CO -0.15 0.57 -0.06 0.40 -0.69 0.00 0.00 178.15 178.23 1rf6 h ILE 28 N 0.64 1.04 -0.78 -0.67 2.04 -0.93 -1.21 117.51 117.63 1rf6 h ILE 28 Ca 0.00 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 1rf6 h ILE 28 Cb 1.20 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.75 1rf6 h ILE 28 CO 0.13 0.18 0.42 -0.26 0.00 0.00 0.00 178.15 178.62 1rf6 h PHE 29 N -0.54 1.08 -0.38 1.37 -1.00 -0.85 -0.77 116.94 115.85 1rf6 h PHE 29 Ca -0.02 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.73 1rf6 h PHE 29 Cb 0.43 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 1rf6 h PHE 29 CO 0.04 0.76 0.23 0.78 -1.61 0.00 0.00 178.31 178.51 1rf6 h GLY 30 N 1.08 0.54 0.70 -1.45 0.00 -1.02 -0.93 103.07 102.00 1rf6 h GLY 30 Ca 0.27 -0.21 -0.13 0.00 0.00 0.00 0.00 47.33 47.26 1rf6 h GLY 30 CO -0.04 0.21 -0.51 1.76 0.00 0.00 0.00 176.54 177.96 1rf6 h SER 31 N 0.52 0.45 1.25 0.19 0.02 -0.32 -3.22 113.55 112.44 1rf6 h SER 31 Ca 0.14 -0.76 -0.04 0.00 -0.84 0.00 0.00 61.79 60.29 1rf6 h SER 31 Cb -0.02 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1rf6 h SER 31 CO -0.03 1.15 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.58 1rf6 h LEU 32 N -0.20 0.00-10.49 5.07 3.38 -0.97 -0.98 115.31 111.12 1rf6 h LEU 32 Ca -0.06 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.43 1rf6 h LEU 32 Cb 1.23 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.08 1rf6 h LEU 32 CO 0.10 0.17 0.36 0.00 0.09 0.00 0.00 178.44 179.16 1rf6 s ALA 33 N -3.46 2.37 -0.16 1.53 0.00 -0.37 -0.97 121.76 120.71 1rf6 s ALA 33 Ca 0.03 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.50 1rf6 s ALA 33 Cb 0.08 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 1rf6 s ALA 33 CO 0.64 -1.71 0.13 -1.21 0.00 0.00 0.00 175.76 173.61 1rf6 s GLU 34 N -5.32 3.76 0.04 0.00 2.02 0.05 -2.45 118.70 116.81 1rf6 s GLU 34 Ca 0.61 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.41 1rf6 s GLU 34 Cb -0.13 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.83 1rf6 s GLU 34 CO 0.52 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.77 1rf6 n GLY 35 N 2.70 -3.15 3.80 -1.39 0.00 -1.26 -0.80 105.19 105.09 1rf6 n GLY 35 Ca -0.18 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 1rf6 n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rf6 s GLU 36 N -0.58 4.18 -0.03 1.61 2.12 -1.26 -1.27 118.70 123.48 1rf6 s GLU 36 Ca 0.00 0.67 0.07 0.00 0.36 0.00 0.00 54.97 56.06 1rf6 s GLU 36 Cb 0.00 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 31.12 1rf6 s GLU 36 CO 0.00 0.59 -0.22 0.99 -0.54 0.00 0.00 175.26 176.08 1rf6 s THR 37 N -0.89 1.77 -0.08 -1.70 2.01 -0.45 -3.31 115.64 112.99 1rf6 s THR 37 Ca 0.28 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.35 1rf6 s THR 37 Cb -0.19 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 70.86 1rf6 s THR 37 CO 0.17 0.50 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.95 1rf6 s LYS 38 N -0.42 1.75 -0.15 4.92 1.02 -0.46 -0.40 119.74 126.01 1rf6 s LYS 38 Ca 0.06 -0.40 -0.01 0.00 0.02 0.00 0.00 55.97 55.63 1rf6 s LYS 38 Cb -0.10 -1.53 -0.01 0.00 -0.52 0.00 0.00 37.83 35.67 1rf6 s LYS 38 CO 0.00 -0.05 -0.11 0.08 -0.92 0.00 0.00 175.35 174.35 1rf6 s VAL 39 N 0.95 3.14 -0.05 3.17 1.01 0.23 -0.23 120.40 128.63 1rf6 s VAL 39 Ca -0.09 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1rf6 s VAL 39 Cb -0.15 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1rf6 s VAL 39 CO 0.00 0.51 -0.01 -0.31 0.00 0.00 0.00 175.10 175.29 1rf6 s TYR 40 N 0.56 3.10 -1.48 5.22 1.51 0.51 -2.15 117.35 124.62 1rf6 s TYR 40 Ca -0.07 0.12 -0.07 0.00 -1.01 0.00 0.00 57.07 56.05 1rf6 s TYR 40 Cb -0.15 -1.73 0.02 0.00 -0.11 0.00 0.00 41.96 39.99 1rf6 s TYR 40 CO 0.03 0.45 0.70 -0.25 -1.11 0.00 0.00 175.55 175.37 1rf6 n ASP 41 N 1.81 -5.68 -4.75 2.29 8.00 -1.26 -1.72 116.55 115.24 1rf6 n ASP 41 Ca -0.17 -0.38 -0.35 0.00 0.71 0.00 0.00 54.79 54.61 1rf6 n ASP 41 Cb 0.53 -4.57 0.05 0.00 -0.02 0.00 0.00 41.12 37.10 1rf6 n ASP 41 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1rf6 s ILE 42 N -3.17 2.79 0.02 0.53 2.07 -1.26 -4.02 121.20 118.16 1rf6 s ILE 42 Ca 0.39 0.43 -0.30 0.00 -1.41 0.00 0.00 60.65 59.76 1rf6 s ILE 42 Cb -0.18 -3.05 -0.04 0.00 0.13 0.00 0.00 42.46 39.32 1rf6 s ILE 42 CO 0.48 -0.17 1.11 -0.22 -1.91 0.00 0.00 174.94 174.23 1rf6 s LEU 43 N -4.52 4.35 -0.34 8.50 2.96 -1.26 -4.52 118.68 123.85 1rf6 s LEU 43 Ca 0.73 1.83 0.08 0.00 -0.22 0.00 0.00 54.13 56.56 1rf6 s LEU 43 Cb -0.26 -3.57 0.64 0.00 0.50 0.00 0.00 46.19 43.50 1rf6 s LEU 43 CO 0.37 -0.40 1.72 0.54 -1.32 0.00 0.00 176.35 177.27 1rf6 n ARG 44 N 4.12 2.70 -1.32 1.98 1.74 -1.26 -4.73 116.66 119.89 1rf6 n ARG 44 Ca 0.08 -3.07 -0.31 0.00 -0.77 0.00 0.00 57.85 53.78 1rf6 n ARG 44 Cb 0.48 -2.07 0.09 0.00 -1.02 0.00 0.00 32.46 29.94 1rf6 n ARG 44 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1rf6 s GLY 45 N -1.59 1.79 0.47 -0.13 0.00 -1.26 -4.77 107.32 101.82 1rf6 s GLY 45 Ca 0.52 0.36 0.19 0.00 0.00 0.00 0.00 44.72 45.79 1rf6 s GLY 45 CO 0.09 0.72 1.96 0.83 0.00 0.00 0.00 173.10 176.69 1rf6 h GLU 46 N -0.94 0.25 -0.42 2.90 5.08 -1.02 -2.11 114.58 118.31 1rf6 h GLU 46 Ca -0.44 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1rf6 h GLU 46 Cb 1.24 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1rf6 h GLU 46 CO 0.51 0.16 0.21 -0.44 -1.00 0.00 0.00 179.01 178.45 1rf6 h ASP 47 N 0.25 0.55 -0.48 1.42 3.45 -1.73 0.14 116.42 120.01 1rf6 h ASP 47 Ca 0.31 -0.12 -0.13 0.00 0.43 0.00 0.00 57.03 57.52 1rf6 h ASP 47 Cb 0.87 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.49 1rf6 h ASP 47 CO -0.07 0.51 -0.22 0.58 -1.57 0.00 0.00 179.24 178.47 1rf6 h VAL 48 N 0.54 1.27 -0.69 -1.35 2.07 -1.65 -2.41 116.25 114.03 1rf6 h VAL 48 Ca 0.15 -1.39 0.05 0.00 0.82 0.00 0.00 66.70 66.33 1rf6 h VAL 48 Cb 0.10 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1rf6 h VAL 48 CO -0.02 0.48 0.46 -0.07 0.02 0.00 0.00 177.57 178.44 1rf6 h LEU 49 N 0.86 0.66 -0.41 2.57 4.07 -1.13 -1.68 115.31 120.26 1rf6 h LEU 49 Ca 0.11 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 1rf6 h LEU 49 Cb 0.80 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.38 1rf6 h LEU 49 CO 0.07 0.44 0.08 0.28 -1.08 0.00 0.00 178.44 178.23 1rf6 h SER 50 N 0.76 0.63 -0.52 -0.43 0.02 -0.49 -2.20 113.55 111.32 1rf6 h SER 50 Ca 0.29 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1rf6 h SER 50 Cb 0.18 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1rf6 h SER 50 CO -0.09 0.72 0.06 0.00 -1.14 0.00 0.00 176.83 176.38 1rf6 h THR 51 N 0.52 1.25 -0.13 -2.27 1.03 -1.02 -1.82 112.91 110.46 1rf6 h THR 51 Ca 0.13 -0.99 -0.00 0.00 -0.01 0.00 0.00 66.41 65.53 1rf6 h THR 51 Cb 0.35 0.75 -0.01 0.00 -1.07 0.00 0.00 68.15 68.17 1rf6 h THR 51 CO 0.01 0.36 0.08 0.24 -0.01 0.00 0.00 175.52 176.20 1rf6 h MET 52 N 0.87 0.18 -0.60 0.00 2.07 -1.13 -2.33 114.93 113.99 1rf6 h MET 52 Ca 0.17 -0.01 -0.03 0.00 -2.07 0.00 0.00 59.70 57.76 1rf6 h MET 52 Cb 0.43 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 30.09 1rf6 h MET 52 CO 0.01 0.15 0.24 0.37 1.07 0.00 0.00 176.91 178.75 1rf6 h GLN 53 N 0.16 0.87 -0.51 1.72 5.75 -1.26 -1.34 115.11 120.50 1rf6 h GLN 53 Ca 0.05 -0.14 0.05 0.00 -0.15 0.00 0.00 58.65 58.46 1rf6 h GLN 53 Cb 0.01 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.36 1rf6 h GLN 53 CO -0.01 0.72 0.25 0.28 -2.65 0.00 0.00 178.83 177.42 1rf6 h VAL 54 N 0.86 0.94 -0.00 2.39 2.07 -0.97 0.89 116.25 122.43 1rf6 h VAL 54 Ca 0.20 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.44 1rf6 h VAL 54 Cb 0.17 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1rf6 h VAL 54 CO -0.02 0.09 -0.55 -0.26 0.02 0.00 0.00 177.57 176.85 1rf6 h PHE 55 N 0.49 0.01 -0.54 1.57 -1.00 -0.90 -2.01 116.94 114.56 1rf6 h PHE 55 Ca 0.23 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.98 1rf6 h PHE 55 Cb 0.16 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 1rf6 h PHE 55 CO -0.11 0.56 0.21 0.00 -1.61 0.00 0.00 178.31 177.36 1rf6 h ARG 56 N 0.01 0.81 0.00 1.51 3.08 -0.20 0.45 114.38 120.03 1rf6 h ARG 56 Ca -0.01 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 1rf6 h ARG 56 Cb 0.98 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 1rf6 h ARG 56 CO 0.07 0.71 -0.07 -0.44 -1.07 0.00 0.00 179.97 179.17 1rf6 h ASP 57 N 0.73 0.00 -0.32 7.04 3.32 -0.47 -0.20 116.42 126.53 1rf6 h ASP 57 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1rf6 h ASP 57 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1rf6 h ASP 57 CO -0.01 0.07 0.00 0.18 -1.72 0.00 0.00 179.24 177.76 1rf6 n LEU 58 N -3.89 2.36 0.00 1.55 4.32 -0.65 -4.13 117.00 116.57 1rf6 n LEU 58 Ca -0.02 -1.19 0.00 0.00 -0.02 0.00 0.00 56.01 54.78 1rf6 n LEU 58 Cb 0.17 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.60 1rf6 n LEU 58 CO 0.30 0.45 0.00 0.61 -1.22 0.00 0.00 177.39 177.53 1rf6 n GLY 59 N 0.76 0.75 3.74 -0.72 0.00 -0.09 -0.58 105.19 109.06 1rf6 n GLY 59 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1rf6 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf6 s VAL 60 N -2.43 5.03 -0.42 1.61 1.01 0.06 -4.97 120.40 120.28 1rf6 s VAL 60 Ca 0.00 1.19 -0.27 0.00 0.00 0.00 0.00 61.98 62.90 1rf6 s VAL 60 Cb 0.00 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.49 1rf6 s VAL 60 CO 0.00 0.36 1.03 -0.70 0.00 0.00 0.00 175.10 175.79 1rf6 s GLU 61 N 0.25 3.76 -0.27 2.72 2.12 -1.26 -3.83 118.70 122.19 1rf6 s GLU 61 Ca 0.31 0.55 0.01 0.00 0.36 0.00 0.00 54.97 56.19 1rf6 s GLU 61 Cb -0.17 -3.86 0.08 0.00 0.26 0.00 0.00 34.13 30.44 1rf6 s GLU 61 CO 0.15 -1.17 0.02 0.42 -0.54 0.00 0.00 175.26 174.14 1rf6 s ILE 62 N 3.94 1.41 -0.15 -3.70 1.01 -1.26 -1.97 121.20 120.49 1rf6 s ILE 62 Ca 0.43 -1.44 -0.05 0.00 0.00 0.00 0.00 60.65 59.58 1rf6 s ILE 62 Cb -0.10 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1rf6 s ILE 62 CO 0.25 -0.37 0.04 -0.70 0.00 0.00 0.00 174.94 174.16 1rf6 s GLU 63 N 1.40 3.61 -0.39 2.79 2.12 -0.79 -4.94 118.70 122.49 1rf6 s GLU 63 Ca 0.02 -0.35 -0.05 0.00 0.36 0.00 0.00 54.97 54.95 1rf6 s GLU 63 Cb -0.18 -3.07 0.09 0.00 0.26 0.00 0.00 34.13 31.23 1rf6 s GLU 63 CO -0.12 0.45 0.19 0.34 -0.54 0.00 0.00 175.26 175.58 1rf6 s ASP 64 N -0.15 5.32 -0.03 -1.70 3.68 -1.26 -0.48 116.67 122.05 1rf6 s ASP 64 Ca 0.06 -1.71 0.01 0.00 2.13 0.00 0.00 52.55 53.05 1rf6 s ASP 64 Cb -0.12 -1.86 0.02 0.00 -1.45 0.00 0.00 42.92 39.50 1rf6 s ASP 64 CO 0.01 -0.49 -0.03 -0.75 0.13 0.00 0.00 175.17 174.04 1rf6 s LYS 65 N 1.26 0.60 -1.55 4.34 2.20 -0.45 -4.83 119.74 121.30 1rf6 s LYS 65 Ca 0.04 -0.07 -0.14 0.00 -0.36 0.00 0.00 55.97 55.44 1rf6 s LYS 65 Cb -0.22 -0.65 0.09 0.00 -1.51 0.00 0.00 37.83 35.54 1rf6 s LYS 65 CO -0.01 -0.06 0.91 -0.25 -0.36 0.00 0.00 175.35 175.58 1rf6 n ASP 66 N 3.87 -4.18 0.00 1.43 8.00 -1.26 -1.30 116.55 123.11 1rf6 n ASP 66 Ca -0.24 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1rf6 n ASP 66 Cb 0.52 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.97 1rf6 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rf6 n GLY 67 N -1.64 0.65 3.35 0.44 0.00 -1.26 -5.01 105.19 101.71 1rf6 n GLY 67 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1rf6 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf6 s VAL 68 N -2.81 2.61 -0.20 1.61 1.01 -0.42 -4.46 120.40 117.74 1rf6 s VAL 68 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 60.98 1rf6 s VAL 68 Cb 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1rf6 s VAL 68 CO 0.00 0.56 0.34 -0.63 0.00 0.00 0.00 175.10 175.37 1rf6 s ILE 69 N -0.10 5.25 -0.19 2.22 -1.09 -0.92 -1.34 121.20 125.03 1rf6 s ILE 69 Ca -0.04 0.60 0.01 0.00 -2.23 0.00 0.00 60.65 58.99 1rf6 s ILE 69 Cb -0.14 -3.67 0.03 0.00 -1.58 0.00 0.00 42.46 37.10 1rf6 s ILE 69 CO 0.04 0.30 -0.15 -0.89 -1.23 0.00 0.00 174.94 173.01 1rf6 s THR 70 N 1.06 1.87 -0.12 2.92 2.01 0.37 -0.60 115.64 123.15 1rf6 s THR 70 Ca 0.17 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 1rf6 s THR 70 Cb -0.14 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 1rf6 s THR 70 CO 0.06 0.32 0.00 -0.69 -0.69 0.00 0.00 174.62 173.63 1rf6 s VAL 71 N 1.32 4.30 -0.61 3.82 1.01 0.47 -1.89 120.40 128.82 1rf6 s VAL 71 Ca 0.01 -0.23 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 1rf6 s VAL 71 Cb -0.15 -2.85 0.15 0.00 0.00 0.00 0.00 36.38 33.53 1rf6 s VAL 71 CO -0.10 0.55 0.57 -1.10 0.00 0.00 0.00 175.10 175.02 1rf6 s GLN 72 N -0.32 3.14 0.50 2.72 -1.52 -0.83 -1.35 119.66 122.00 1rf6 s GLN 72 Ca 0.07 -1.88 -0.21 0.00 -1.95 0.00 0.00 55.36 51.38 1rf6 s GLN 72 Cb -0.12 -4.33 -0.09 0.00 -0.22 0.00 0.00 33.01 28.24 1rf6 s GLN 72 CO 0.02 -1.33 0.79 0.41 -0.25 0.00 0.00 175.29 174.93 1rf6 n GLY 73 N 4.94 -0.79 0.19 3.09 0.00 -0.39 -4.39 105.19 107.83 1rf6 n GLY 73 Ca -0.07 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 45.95 1rf6 n GLY 73 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rf6 n VAL 74 N -1.14 0.96 0.00 1.61 0.24 -0.37 -4.39 118.33 115.24 1rf6 n VAL 74 Ca 0.11 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.43 1rf6 n VAL 74 Cb 0.43 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 1rf6 n VAL 74 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rf6 n GLY 75 N -0.18 -0.65 0.35 7.63 0.00 -1.02 -2.94 105.19 108.38 1rf6 n GLY 75 Ca 0.03 -1.63 0.18 0.00 0.00 0.00 0.00 46.02 44.60 1rf6 n GLY 75 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1rf6 h MET 76 N 0.00 0.00 -0.38 1.61 4.05 -1.35 -2.24 114.93 116.61 1rf6 h MET 76 Ca 0.00 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.14 1rf6 h MET 76 Cb 0.00 0.00 -0.35 0.00 -0.80 0.00 0.00 31.60 30.45 1rf6 h MET 76 CO 0.00 0.00 -0.92 0.00 0.23 0.00 0.00 176.91 176.22 1rf6 n ALA 77 N -2.24 3.42 0.07 0.39 0.00 -1.26 -4.84 120.51 116.05 1rf6 n ALA 77 Ca 0.02 -3.06 0.10 0.00 0.00 0.00 0.00 53.44 50.50 1rf6 n ALA 77 Cb 0.41 -0.61 0.22 0.00 0.00 0.00 0.00 19.45 19.47 1rf6 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rf6 n GLY 78 N -0.50 1.93 3.77 0.00 0.00 -0.84 -4.98 105.19 104.56 1rf6 n GLY 78 Ca 0.19 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1rf6 n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rf6 s LEU 79 N -1.24 4.29 0.15 0.99 1.43 -1.26 -4.91 118.68 118.12 1rf6 s LEU 79 Ca 0.37 2.23 0.08 0.00 -1.03 0.00 0.00 54.13 55.78 1rf6 s LEU 79 Cb 0.21 -3.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1rf6 s LEU 79 CO 0.28 -0.46 -0.07 -0.54 0.23 0.00 0.00 176.35 175.79 1rf6 s LYS 80 N -2.10 2.17 0.16 1.70 -0.14 0.26 -4.96 119.74 116.83 1rf6 s LYS 80 Ca 0.53 -1.14 -0.32 0.00 -1.36 0.00 0.00 55.97 53.69 1rf6 s LYS 80 Cb -0.28 -2.27 -0.12 0.00 -1.68 0.00 0.00 37.83 33.48 1rf6 s LYS 80 CO 0.36 0.47 1.76 0.00 -0.76 0.00 0.00 175.35 177.18 1rf6 n ALA 81 N 0.24 2.37 -1.52 5.17 0.00 -1.26 -4.45 120.51 121.06 1rf6 n ALA 81 Ca -0.11 0.37 -0.32 0.00 0.00 0.00 0.00 53.44 53.37 1rf6 n ALA 81 Cb 0.54 -2.53 0.05 0.00 0.00 0.00 0.00 19.45 17.50 1rf6 n ALA 81 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rf6 s PRO 82 N 1.86 2.88 0.13 0.00 0.04 -1.26 -4.92 135.00 133.73 1rf6 s PRO 82 Ca 0.79 1.16 0.02 0.00 0.04 0.00 0.00 61.00 63.01 1rf6 s PRO 82 Cb -0.52 -1.98 -0.15 0.00 0.04 0.00 0.00 34.50 31.90 1rf6 s PRO 82 CO 0.35 -1.16 1.28 -0.56 0.04 0.00 0.00 177.00 176.96 1rf6 h GLN 83 N -0.30 0.15 -4.96 4.56 -0.00 -1.93 -3.47 115.11 109.15 1rf6 h GLN 83 Ca -0.45 -0.21 -0.48 0.00 -0.00 0.00 0.00 58.65 57.51 1rf6 h GLN 83 Cb 1.22 0.07 -0.13 0.00 -0.00 0.00 0.00 27.48 28.64 1rf6 h GLN 83 CO 0.55 1.04 -0.53 -0.80 -0.00 0.00 0.00 178.83 179.09 1rf6 s ASN 84 N -6.92 2.07 0.56 0.06 0.02 -1.26 -5.13 114.94 104.34 1rf6 s ASN 84 Ca -0.02 -1.63 -0.21 0.00 -1.02 0.00 0.00 52.86 49.98 1rf6 s ASN 84 Cb 0.09 0.45 -0.04 0.00 0.02 0.00 0.00 41.25 41.77 1rf6 s ASN 84 CO 0.84 -0.93 1.34 0.00 0.02 0.00 0.00 177.10 178.37 1rf6 s ALA 85 N -3.42 2.76 -0.18 0.60 0.00 -1.26 -4.85 121.76 115.42 1rf6 s ALA 85 Ca 0.32 1.30 -0.25 0.00 0.00 0.00 0.00 51.96 53.33 1rf6 s ALA 85 Cb 0.04 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1rf6 s ALA 85 CO 0.18 -1.38 0.83 -0.51 0.00 0.00 0.00 175.76 174.88 1rf6 s LEU 86 N -3.63 4.17 -0.63 0.00 1.43 0.47 -4.98 118.68 115.50 1rf6 s LEU 86 Ca 0.73 1.16 -0.22 0.00 -1.03 0.00 0.00 54.13 54.77 1rf6 s LEU 86 Cb -0.40 -3.23 0.07 0.00 0.03 0.00 0.00 46.19 42.66 1rf6 s LEU 86 CO 0.46 -0.41 0.93 0.21 0.23 0.00 0.00 176.35 177.77 1rf6 s ASN 87 N 1.17 6.20 0.00 2.29 3.84 -1.26 -1.93 114.94 125.25 1rf6 s ASN 87 Ca 0.38 -0.90 0.29 0.00 0.21 0.00 0.00 52.86 52.84 1rf6 s ASN 87 Cb -0.16 -2.41 1.22 0.00 -0.55 0.00 0.00 41.25 39.35 1rf6 s ASN 87 CO 0.12 -1.37 1.89 0.23 -2.79 0.00 0.00 177.10 175.19 1rf6 n MET 88 N 7.53 0.16 0.00 0.43 2.81 0.13 -4.83 117.12 123.35 1rf6 n MET 88 Ca -0.03 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 1rf6 n MET 88 Cb 0.46 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1rf6 n MET 88 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf6 n GLY 89 N 1.43 3.84 1.02 3.03 0.00 -1.24 -1.97 105.19 111.30 1rf6 n GLY 89 Ca 0.09 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.19 1rf6 n GLY 89 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rf6 n ASN 90 N 6.42 3.26 -4.49 1.61 5.15 -1.26 -0.64 115.26 125.31 1rf6 n ASN 90 Ca 0.00 -1.93 -0.43 0.00 -0.60 0.00 0.00 54.58 51.61 1rf6 n ASN 90 Cb 0.00 -0.24 -0.06 0.00 -0.53 0.00 0.00 39.78 38.95 1rf6 n ASN 90 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1rf6 s SER 91 N -1.29 6.29 0.10 1.20 0.15 -0.83 -4.79 113.70 114.53 1rf6 s SER 91 Ca 0.34 -0.56 -0.13 0.00 0.70 0.00 0.00 55.95 56.30 1rf6 s SER 91 Cb 0.20 -2.34 -0.13 0.00 -1.71 0.00 0.00 66.02 62.04 1rf6 s SER 91 CO 0.27 -0.94 1.34 1.23 1.20 0.00 0.00 173.24 176.34 1rf6 h GLY 92 N 10.04 0.86 0.37 9.45 0.00 -1.93 -2.76 103.07 119.10 1rf6 h GLY 92 Ca -0.26 -1.11 0.13 0.00 0.00 0.00 0.00 47.33 46.09 1rf6 h GLY 92 CO 0.97 0.99 0.54 -0.84 0.00 0.00 0.00 176.54 178.20 1rf6 h THR 93 N 0.52 0.83 0.65 4.70 2.02 -1.97 0.32 112.91 120.00 1rf6 h THR 93 Ca -0.02 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 1rf6 h THR 93 Cb 1.24 -0.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1rf6 h THR 93 CO 0.13 0.15 -0.31 0.28 0.37 0.00 0.00 175.52 176.14 1rf6 h SER 94 N 0.81 -0.74 -0.52 4.18 0.02 -1.88 -0.06 113.55 115.36 1rf6 h SER 94 Ca 0.47 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.33 1rf6 h SER 94 Cb 0.56 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1rf6 h SER 94 CO -0.30 -0.44 0.01 -0.29 -1.14 0.00 0.00 176.83 174.66 1rf6 h ILE 95 N -1.03 1.26 0.61 3.27 2.10 -1.19 -0.43 117.51 122.11 1rf6 h ILE 95 Ca -0.09 -1.09 -0.03 0.00 1.08 0.00 0.00 64.86 64.73 1rf6 h ILE 95 Cb 0.71 0.82 0.01 0.00 -1.09 0.00 0.00 36.82 37.27 1rf6 h ILE 95 CO 0.15 0.39 -0.29 -0.09 -1.08 0.00 0.00 178.15 177.23 1rf6 h ARG 96 N 0.88 -0.79 -0.41 2.19 9.65 -0.38 -2.24 114.38 123.28 1rf6 h ARG 96 Ca 0.16 0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.08 1rf6 h ARG 96 Cb 0.51 0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 29.25 1rf6 h ARG 96 CO 0.02 -0.47 0.20 -0.07 2.80 0.00 0.00 179.97 182.45 1rf6 h LEU 97 N -1.08 0.55 -1.71 3.80 3.38 -1.02 -2.88 115.31 116.35 1rf6 h LEU 97 Ca -0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1rf6 h LEU 97 Cb 0.68 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1rf6 h LEU 97 CO 0.14 0.52 -0.06 0.40 0.09 0.00 0.00 178.44 179.53 1rf6 h ILE 98 N 0.53 1.09 -0.79 1.22 2.04 -1.14 -1.25 117.51 119.21 1rf6 h ILE 98 Ca 0.14 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1rf6 h ILE 98 Cb 0.13 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1rf6 h ILE 98 CO -0.02 0.12 0.52 0.28 0.00 0.00 0.00 178.15 179.05 1rf6 h SER 99 N 0.11 0.89 0.11 1.72 0.02 -1.17 0.36 113.55 115.60 1rf6 h SER 99 Ca 0.03 -0.02 -0.21 0.00 -0.84 0.00 0.00 61.79 60.75 1rf6 h SER 99 Cb 0.18 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1rf6 h SER 99 CO 0.01 0.64 -0.78 1.23 -1.14 0.00 0.00 176.83 176.79 1rf6 h GLY 100 N 1.05 0.61 0.93 -3.77 0.00 -1.29 -3.15 103.07 97.46 1rf6 h GLY 100 Ca 0.29 -0.89 0.03 0.00 0.00 0.00 0.00 47.33 46.77 1rf6 h GLY 100 CO -0.07 0.79 0.65 -2.08 0.00 0.00 0.00 176.54 175.83 1rf6 h VAL 101 N 0.37 1.19 -0.11 4.60 2.07 -0.23 -1.98 116.25 122.15 1rf6 h VAL 101 Ca -0.05 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1rf6 h VAL 101 Cb 1.38 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1rf6 h VAL 101 CO 0.14 0.23 0.00 0.18 0.02 0.00 0.00 177.57 178.15 1rf6 n LEU 102 N -4.43 0.80 -0.20 2.57 4.77 -0.00 -4.19 117.00 116.32 1rf6 n LEU 102 Ca 0.13 -0.36 0.18 0.00 -0.03 0.00 0.00 56.01 55.92 1rf6 n LEU 102 Cb 0.08 -0.07 0.52 0.00 -2.33 0.00 0.00 43.42 41.61 1rf6 n LEU 102 CO 0.35 0.18 1.22 0.00 -1.33 0.00 0.00 177.39 177.81 1rf6 h ALA 103 N 3.59 2.19 -0.11 -1.18 0.00 -1.32 -1.14 119.26 121.30 1rf6 h ALA 103 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rf6 h ALA 103 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rf6 h ALA 103 CO 0.00 -0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.22 1rf6 n GLY 104 N -1.53 0.92 3.67 0.00 0.00 -1.26 -1.33 105.19 105.67 1rf6 n GLY 104 Ca 0.17 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 1rf6 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf6 s ALA 105 N -1.89 3.61 -0.98 4.61 0.00 -0.43 -4.46 121.76 122.22 1rf6 s ALA 105 Ca 0.32 0.64 -0.07 0.00 0.00 0.00 0.00 51.96 52.85 1rf6 s ALA 105 Cb 0.21 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1rf6 s ALA 105 CO 0.31 -1.07 2.94 -3.47 0.00 0.00 0.00 175.76 174.47 1rf6 n ASP 106 N 6.15 7.40 -3.60 0.00 4.64 -1.26 -1.87 116.55 128.00 1rf6 n ASP 106 Ca 0.14 -2.80 -0.07 0.00 -1.38 0.00 0.00 54.79 50.68 1rf6 n ASP 106 Cb 0.45 -1.42 -0.02 0.00 -1.04 0.00 0.00 41.12 39.08 1rf6 n ASP 106 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 1rf6 s PHE 107 N 0.42 -0.28 -0.07 -0.67 -0.12 -1.26 -5.00 117.98 111.00 1rf6 s PHE 107 Ca 0.63 0.06 -0.10 0.00 -0.05 0.00 0.00 56.93 57.48 1rf6 s PHE 107 Cb 0.25 0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 43.17 1rf6 s PHE 107 CO -0.08 -0.71 0.25 -2.00 -0.05 0.00 0.00 175.22 172.63 1rf6 s GLU 108 N -3.29 3.63 0.09 1.99 2.12 -1.26 -3.46 118.70 118.52 1rf6 s GLU 108 Ca 0.07 0.09 0.02 0.00 0.36 0.00 0.00 54.97 55.51 1rf6 s GLU 108 Cb -0.01 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 1rf6 s GLU 108 CO -0.05 0.74 -0.06 0.14 -0.54 0.00 0.00 175.26 175.49 1rf6 s VAL 109 N -1.06 0.63 -0.03 3.70 -7.23 0.24 -4.83 120.40 111.83 1rf6 s VAL 109 Ca 0.19 -1.78 0.07 0.00 -1.81 0.00 0.00 61.98 58.64 1rf6 s VAL 109 Cb -0.14 -1.49 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 1rf6 s VAL 109 CO 0.08 -0.80 -0.25 -0.70 -0.31 0.00 0.00 175.10 173.12 1rf6 s GLU 110 N -3.47 2.25 -0.08 4.82 -6.30 -1.26 0.08 118.70 114.74 1rf6 s GLU 110 Ca 0.08 -0.91 0.01 0.00 -2.50 0.00 0.00 54.97 51.65 1rf6 s GLU 110 Cb 0.03 -2.09 0.02 0.00 0.00 0.00 0.00 34.13 32.09 1rf6 s GLU 110 CO -0.04 0.52 -0.11 -1.64 0.02 0.00 0.00 175.26 174.01 1rf6 s MET 111 N -0.50 1.64 0.24 4.30 -1.94 0.07 -0.40 119.30 122.71 1rf6 s MET 111 Ca 0.06 -0.36 0.02 0.00 -1.71 0.00 0.00 55.69 53.70 1rf6 s MET 111 Cb -0.11 -1.47 -0.05 0.00 2.01 0.00 0.00 34.83 35.21 1rf6 s MET 111 CO 0.00 -0.08 0.06 -0.59 -0.01 0.00 0.00 175.02 174.41 1rf6 s PHE 112 N 1.04 1.49 0.12 -0.03 -0.71 -0.81 0.20 117.98 119.27 1rf6 s PHE 112 Ca -0.08 -1.11 -0.00 0.00 -1.04 0.00 0.00 56.93 54.70 1rf6 s PHE 112 Cb -0.15 -0.87 0.00 0.00 -1.21 0.00 0.00 43.02 40.80 1rf6 s PHE 112 CO -0.01 -0.27 0.16 0.41 -1.34 0.00 0.00 175.22 174.18 1rf6 n GLY 113 N -0.42 2.89 1.21 1.99 0.00 -1.26 0.18 105.19 109.78 1rf6 n GLY 113 Ca -0.02 -1.49 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 1rf6 n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rf6 n ASP 114 N -2.03 -0.37 -0.14 1.61 3.85 0.18 -4.63 116.55 115.02 1rf6 n ASP 114 Ca 0.01 -1.03 0.09 0.00 -0.71 0.00 0.00 54.79 53.14 1rf6 n ASP 114 Cb 0.20 -0.33 0.41 0.00 -1.35 0.00 0.00 41.12 40.06 1rf6 n ASP 114 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 1rf6 h ASP 115 N -0.86 0.54 0.16 -1.12 -0.00 -1.99 -1.22 116.42 111.94 1rf6 h ASP 115 Ca -0.14 0.01 -0.01 0.00 -0.00 0.00 0.00 57.03 56.89 1rf6 h ASP 115 Cb 0.39 -0.11 0.00 0.00 -0.00 0.00 0.00 39.33 39.61 1rf6 h ASP 115 CO 0.09 0.34 -0.08 -1.28 -0.00 0.00 0.00 179.24 178.32 1rf6 h SER 116 N 0.61 -0.19 -0.41 4.15 0.87 -1.90 -3.31 113.55 113.38 1rf6 h SER 116 Ca 0.29 -0.35 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1rf6 h SER 116 Cb 0.36 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1rf6 h SER 116 CO -0.09 0.33 0.14 0.25 -0.53 0.00 0.00 176.83 176.93 1rf6 h LEU 117 N -0.79 0.64 -0.31 2.23 5.85 -1.78 -2.52 115.31 118.62 1rf6 h LEU 117 Ca -0.02 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1rf6 h LEU 117 Cb 0.53 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1rf6 h LEU 117 CO 0.04 0.61 0.00 -1.20 -0.34 0.00 0.00 178.44 177.55 1rf6 n SER 118 N -4.32 0.15 -1.00 1.25 7.64 -0.47 -1.42 113.62 115.46 1rf6 n SER 118 Ca 0.03 0.56 0.11 0.00 1.01 0.00 0.00 58.87 60.58 1rf6 n SER 118 Cb 0.19 -0.58 0.17 0.00 -1.01 0.00 0.00 64.21 62.98 1rf6 n SER 118 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1rf6 n LYS 119 N -1.69 2.27 -4.09 1.43 5.02 -0.95 -4.01 118.16 116.14 1rf6 n LYS 119 Ca 0.01 -2.08 -0.35 0.00 -2.02 0.00 0.00 58.31 53.86 1rf6 n LYS 119 Cb 0.06 -1.45 -0.07 0.00 -0.02 0.00 0.00 35.03 33.55 1rf6 n LYS 119 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1rf6 s ARG 120 N -1.44 3.21 0.24 1.97 0.52 -0.50 -5.05 118.95 117.89 1rf6 s ARG 120 Ca 0.33 -0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 54.92 1rf6 s ARG 120 Cb 0.20 -2.98 -0.09 0.00 0.52 0.00 0.00 34.95 32.59 1rf6 s ARG 120 CO 0.28 0.72 1.35 -1.25 0.02 0.00 0.00 175.30 176.41 1rf6 s PRO 121 N -1.21 4.35 0.00 3.54 0.04 -1.26 -4.21 135.00 136.25 1rf6 s PRO 121 Ca 0.17 2.15 0.03 0.00 0.04 0.00 0.00 61.00 63.40 1rf6 s PRO 121 Cb -0.12 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 31.30 1rf6 s PRO 121 CO 0.07 -0.28 0.61 -1.33 0.04 0.00 0.00 177.00 176.11 1rf6 n MET 122 N 2.20 -0.47 0.08 4.56 2.81 -0.80 -4.60 117.12 120.90 1rf6 n MET 122 Ca 0.05 -0.72 0.06 0.00 -1.81 0.00 0.00 57.70 55.29 1rf6 n MET 122 Cb 0.42 -1.06 0.51 0.00 -0.71 0.00 0.00 33.22 32.37 1rf6 n MET 122 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1rf6 h ASP 123 N 0.64 0.29 -0.10 7.83 3.04 -1.53 -0.52 116.42 126.08 1rf6 h ASP 123 Ca 0.00 -0.01 0.03 0.00 -3.24 0.00 0.00 57.03 53.81 1rf6 h ASP 123 Cb 0.15 -0.07 -0.00 0.00 -1.04 0.00 0.00 39.33 38.36 1rf6 h ASP 123 CO 0.00 0.21 0.20 0.08 -2.04 0.00 0.00 179.24 177.68 1rf6 h ARG 124 N 0.34 0.00 0.00 4.15 0.11 -1.86 -2.24 114.38 114.88 1rf6 h ARG 124 Ca 0.11 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.04 1rf6 h ARG 124 Cb 0.03 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.08 1rf6 h ARG 124 CO -0.02 0.00 -1.57 1.33 0.10 0.00 0.00 179.97 179.80 1rf6 n VAL 125 N -3.41 0.55 -0.13 0.08 0.24 -0.34 -4.57 118.33 110.75 1rf6 n VAL 125 Ca -0.00 -0.35 -0.05 0.00 -2.04 0.00 0.00 64.34 61.90 1rf6 n VAL 125 Cb 0.29 -0.73 0.14 0.00 -1.47 0.00 0.00 33.84 32.08 1rf6 n VAL 125 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1rf6 h THR 126 N 0.00 1.24 0.36 3.34 1.35 -0.94 -2.18 112.91 116.09 1rf6 h THR 126 Ca -0.22 -1.00 -0.02 0.00 -0.55 0.00 0.00 66.41 64.62 1rf6 h THR 126 Cb 1.47 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1rf6 h THR 126 CO 0.01 0.36 -0.17 0.25 -0.25 0.00 0.00 175.52 175.72 1rf6 h LEU 127 N 0.78 -0.41 -0.22 3.87 5.85 -1.67 0.90 115.31 124.41 1rf6 h LEU 127 Ca 0.15 0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.69 1rf6 h LEU 127 Cb 0.45 0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.59 1rf6 h LEU 127 CO 0.02 -0.29 -0.64 1.55 -0.34 0.00 0.00 178.44 178.73 1rf6 h PRO 128 N -0.48 0.83 0.00 5.25 0.13 -1.80 -2.96 132.00 132.97 1rf6 h PRO 128 Ca -0.05 -0.59 -0.02 0.00 -0.87 0.00 0.00 66.00 64.46 1rf6 h PRO 128 Cb 0.37 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 1rf6 h PRO 128 CO 0.08 1.22 -0.11 -0.07 -0.23 0.00 0.00 178.00 178.88 1rf6 h LEU 129 N 0.59 0.00 -0.75 1.56 3.38 -1.39 -0.71 115.31 118.00 1rf6 h LEU 129 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1rf6 h LEU 129 Cb 1.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 1rf6 h LEU 129 CO 0.14 0.11 0.20 0.50 0.09 0.00 0.00 178.44 179.48 1rf6 h LYS 130 N 0.00 1.15 -0.21 1.13 1.63 -0.67 -2.08 116.57 117.52 1rf6 h LYS 130 Ca -0.00 -0.26 0.06 0.00 -0.85 0.00 0.00 60.65 59.59 1rf6 h LYS 130 Cb 0.22 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1rf6 h LYS 130 CO 0.01 0.99 0.15 0.87 -3.45 0.00 0.00 179.45 178.03 1rf6 h LYS 131 N 1.09 0.03 0.00 1.90 1.57 -0.97 -0.11 116.57 120.07 1rf6 h LYS 131 Ca 0.23 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1rf6 h LYS 131 Cb 0.35 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1rf6 h LYS 131 CO -0.00 0.02 0.00 -1.33 -0.57 0.00 0.00 179.45 177.57 1rf6 n MET 132 N -4.48 0.17 0.00 3.15 2.81 -0.82 -4.85 117.12 113.10 1rf6 n MET 132 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1rf6 n MET 132 Cb 0.28 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 1rf6 n MET 132 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf6 n GLY 133 N 1.40 1.12 3.74 3.03 0.00 -0.06 -1.72 105.19 112.71 1rf6 n GLY 133 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1rf6 n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf6 s VAL 134 N -2.00 4.95 -0.33 1.61 1.01 -0.97 -4.57 120.40 120.10 1rf6 s VAL 134 Ca 0.00 1.34 -0.22 0.00 0.00 0.00 0.00 61.98 63.10 1rf6 s VAL 134 Cb 0.00 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1rf6 s VAL 134 CO 0.00 0.35 0.70 -0.44 0.00 0.00 0.00 175.10 175.71 1rf6 s SER 135 N 0.23 6.53 -0.09 3.32 0.01 -0.81 -4.11 113.70 118.78 1rf6 s SER 135 Ca 0.34 0.38 -0.08 0.00 1.31 0.00 0.00 55.95 57.90 1rf6 s SER 135 Cb -0.18 -2.36 0.03 0.00 0.21 0.00 0.00 66.02 63.71 1rf6 s SER 135 CO 0.18 -0.60 0.25 -0.63 0.41 0.00 0.00 173.24 172.84 1rf6 s ILE 136 N 2.83 -0.01 -0.06 1.44 1.01 -1.26 -1.34 121.20 123.82 1rf6 s ILE 136 Ca 0.28 0.02 -0.31 0.00 0.00 0.00 0.00 60.65 60.65 1rf6 s ILE 136 Cb -0.14 -0.35 0.07 0.00 0.01 0.00 0.00 42.46 42.05 1rf6 s ILE 136 CO 0.14 0.01 0.68 -0.94 0.00 0.00 0.00 174.94 174.83 1rf6 s SER 137 N 0.31 -0.66 0.00 3.58 1.04 -1.04 -4.99 113.70 111.94 1rf6 s SER 137 Ca -0.01 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1rf6 s SER 137 Cb -0.03 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1rf6 s SER 137 CO -0.01 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1rf6 n GLY 138 N 0.97 5.34 3.75 7.32 0.00 -1.26 -1.38 105.19 119.93 1rf6 n GLY 138 Ca -0.19 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 1rf6 n GLY 138 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rf6 s GLN 139 N 3.72 3.60 0.23 1.61 -1.52 0.16 -4.71 119.66 122.76 1rf6 s GLN 139 Ca 0.00 -0.26 0.00 0.00 -1.95 0.00 0.00 55.36 53.15 1rf6 s GLN 139 Cb 0.00 -3.15 0.00 0.00 -0.22 0.00 0.00 33.01 29.64 1rf6 s GLN 139 CO 0.00 0.56 0.00 2.41 -0.25 0.00 0.00 175.29 178.01 1rf6 n THR 140 N 2.65 0.00 0.30 -0.19 -1.04 -1.26 -0.37 114.28 114.37 1rf6 n THR 140 Ca -0.18 0.14 0.18 0.00 -2.04 0.00 0.00 64.05 62.15 1rf6 n THR 140 Cb 0.54 -0.42 0.84 0.00 -1.82 0.00 0.00 70.33 69.46 1rf6 n THR 140 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1rf6 h GLU 141 N -0.76 0.00 -0.01 -2.82 3.07 -2.01 -1.61 114.58 110.43 1rf6 h GLU 141 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1rf6 h GLU 141 Cb 0.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1rf6 h GLU 141 CO 0.02 0.00 -0.03 0.54 -1.40 0.00 0.00 179.01 178.14 1rf6 n ARG 142 N -2.83 1.41 -3.55 2.33 1.74 -1.26 -4.85 116.66 109.64 1rf6 n ARG 142 Ca -0.01 -0.70 -0.25 0.00 -0.77 0.00 0.00 57.85 56.12 1rf6 n ARG 142 Cb 0.17 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.17 1rf6 n ARG 142 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1rf6 n ASP 143 N -0.18 -5.20 -4.82 0.55 10.43 -0.61 -1.82 116.55 114.90 1rf6 n ASP 143 Ca 0.19 -0.90 -0.33 0.00 2.57 0.00 0.00 54.79 56.32 1rf6 n ASP 143 Cb 0.31 -4.03 -0.05 0.00 1.84 0.00 0.00 41.12 39.18 1rf6 n ASP 143 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1rf6 s LEU 144 N -6.17 3.86 0.81 0.64 1.02 0.50 -2.38 118.68 116.96 1rf6 s LEU 144 Ca 0.41 1.72 -0.12 0.00 0.02 0.00 0.00 54.13 56.16 1rf6 s LEU 144 Cb -0.11 -4.54 0.08 0.00 0.02 0.00 0.00 46.19 41.64 1rf6 s LEU 144 CO 0.82 -0.50 1.15 -2.84 0.02 0.00 0.00 176.35 175.00 1rf6 s PRO 145 N -3.36 1.74 0.64 1.29 0.02 -1.26 0.39 135.00 134.46 1rf6 s PRO 145 Ca 0.63 1.53 -0.16 0.00 0.02 0.00 0.00 61.00 63.02 1rf6 s PRO 145 Cb -0.11 -1.81 -0.01 0.00 0.02 0.00 0.00 34.50 32.59 1rf6 s PRO 145 CO 0.18 -2.09 1.11 -1.25 -0.33 0.00 0.00 177.00 174.62 1rf6 s PRO 146 N -4.44 2.87 0.18 5.54 0.04 -1.26 -4.68 135.00 133.25 1rf6 s PRO 146 Ca 0.68 1.42 0.09 0.00 0.04 0.00 0.00 61.00 63.22 1rf6 s PRO 146 Cb -0.23 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1rf6 s PRO 146 CO 0.53 -1.20 -0.09 -0.51 0.04 0.00 0.00 177.00 175.77 1rf6 s LEU 147 N -4.73 3.00 -0.09 -3.56 1.02 0.13 -4.09 118.68 110.36 1rf6 s LEU 147 Ca 0.68 -0.55 0.04 0.00 0.02 0.00 0.00 54.13 54.31 1rf6 s LEU 147 Cb -0.21 -1.69 0.00 0.00 0.02 0.00 0.00 46.19 44.31 1rf6 s LEU 147 CO 0.40 0.11 -0.23 -0.13 0.02 0.00 0.00 176.35 176.51 1rf6 s ARG 148 N -2.80 2.88 -0.01 1.70 0.52 -0.48 -0.75 118.95 120.01 1rf6 s ARG 148 Ca 0.25 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.63 1rf6 s ARG 148 Cb -0.09 -2.21 0.00 0.00 0.52 0.00 0.00 34.95 33.18 1rf6 s ARG 148 CO 0.15 0.18 -0.04 -1.17 0.02 0.00 0.00 175.30 174.45 1rf6 s LEU 149 N 0.32 1.91 -0.21 2.53 2.96 0.11 -2.49 118.68 123.81 1rf6 s LEU 149 Ca -0.17 -0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1rf6 s LEU 149 Cb -0.17 -0.23 0.09 0.00 0.50 0.00 0.00 46.19 46.37 1rf6 s LEU 149 CO 0.08 0.04 0.17 -0.75 -1.32 0.00 0.00 176.35 174.57 1rf6 s LYS 150 N 0.03 0.16 1.08 1.98 2.36 -0.45 0.81 119.74 125.71 1rf6 s LYS 150 Ca 0.00 -0.04 -0.18 0.00 -2.55 0.00 0.00 55.97 53.20 1rf6 s LYS 150 Cb -0.03 -1.35 0.25 0.00 -1.05 0.00 0.00 37.83 35.64 1rf6 s LYS 150 CO -0.00 -0.75 1.26 0.20 1.55 0.00 0.00 175.35 177.60 1rf6 s GLY 151 N 2.23 1.73 0.05 5.54 0.00 -0.78 -1.92 107.32 114.18 1rf6 s GLY 151 Ca 0.06 -1.20 0.05 0.00 0.00 0.00 0.00 44.72 43.63 1rf6 s GLY 151 CO -0.17 -0.34 -0.14 -0.51 0.00 0.00 0.00 173.10 171.94 1rf6 s THR 152 N -3.60 1.08 -1.86 0.90 -4.23 -0.44 -4.49 115.64 103.00 1rf6 s THR 152 Ca 0.74 -1.15 0.30 0.00 -1.18 0.00 0.00 61.69 60.41 1rf6 s THR 152 Cb -0.05 -1.02 0.66 0.00 1.34 0.00 0.00 72.50 73.43 1rf6 s THR 152 CO 0.54 -0.12 2.02 2.29 -0.54 0.00 0.00 174.62 178.81 1rf6 n LYS 153 N 1.59 0.90 -2.94 3.99 2.85 -1.26 -3.83 118.16 119.45 1rf6 n LYS 153 Ca -0.20 -0.20 -0.25 0.00 -1.05 0.00 0.00 58.31 56.61 1rf6 n LYS 153 Cb 0.54 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.39 1rf6 n LYS 153 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1rf6 n ASN 154 N -0.87 3.85 -4.76 -5.58 4.13 -1.26 -5.08 115.26 105.68 1rf6 n ASN 154 Ca 0.19 -3.56 -0.41 0.00 1.68 0.00 0.00 54.58 52.48 1rf6 n ASN 154 Cb 0.22 -0.56 -0.02 0.00 -1.54 0.00 0.00 39.78 37.87 1rf6 n ASN 154 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1rf6 s LEU 155 N -3.30 4.43 -0.11 3.41 1.43 -1.25 -4.90 118.68 118.39 1rf6 s LEU 155 Ca 0.47 2.65 -0.06 0.00 -1.03 0.00 0.00 54.13 56.16 1rf6 s LEU 155 Cb 0.30 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 1rf6 s LEU 155 CO -0.13 -0.53 0.10 -0.13 0.23 0.00 0.00 176.35 175.89 1rf6 s ARG 156 N -1.54 3.34 0.92 1.70 0.52 -0.70 -3.92 118.95 119.27 1rf6 s ARG 156 Ca 0.50 -0.21 -0.15 0.00 -0.52 0.00 0.00 55.73 55.35 1rf6 s ARG 156 Cb -0.39 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 1rf6 s ARG 156 CO 0.51 0.74 0.04 -2.30 0.02 0.00 0.00 175.30 174.30 1rf6 n PRO 157 N 2.09 -0.12 -5.09 3.54 -0.02 -1.26 -4.57 135.00 129.56 1rf6 n PRO 157 Ca -0.19 -0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 60.96 1rf6 n PRO 157 Cb 0.55 -1.57 -0.15 0.00 -0.02 0.00 0.00 33.50 32.30 1rf6 n PRO 157 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1rf6 s ILE 158 N -2.20 2.48 -0.32 4.25 1.10 -1.26 -4.81 121.20 120.43 1rf6 s ILE 158 Ca 0.53 -0.91 0.01 0.00 -0.51 0.00 0.00 60.65 59.76 1rf6 s ILE 158 Cb -0.23 -1.94 0.10 0.00 0.15 0.00 0.00 42.46 40.54 1rf6 s ILE 158 CO 0.71 0.57 0.08 -1.00 -2.11 0.00 0.00 174.94 173.19 1rf6 s HIS 159 N -0.25 2.42 -0.02 3.50 3.76 -1.26 0.63 115.29 124.08 1rf6 s HIS 159 Ca -0.00 -2.18 -0.01 0.00 -0.15 0.00 0.00 55.06 52.71 1rf6 s HIS 159 Cb -0.13 -2.14 0.01 0.00 1.11 0.00 0.00 32.58 31.43 1rf6 s HIS 159 CO 0.03 -0.90 0.04 -0.47 -0.85 0.00 0.00 174.74 172.59 1rf6 s TYR 160 N 1.36 -0.04 -0.34 1.40 6.14 -0.82 -4.99 117.35 120.06 1rf6 s TYR 160 Ca 0.10 0.13 -0.08 0.00 0.64 0.00 0.00 57.07 57.86 1rf6 s TYR 160 Cb -0.18 -0.01 0.03 0.00 0.42 0.00 0.00 41.96 42.22 1rf6 s TYR 160 CO -0.19 -0.03 0.12 -2.00 0.64 0.00 0.00 175.55 174.09 1rf6 s GLU 161 N 0.15 2.75 0.23 4.97 -6.30 -1.26 -1.78 118.70 117.47 1rf6 s GLU 161 Ca -0.01 -1.10 -0.31 0.00 -2.50 0.00 0.00 54.97 51.05 1rf6 s GLU 161 Cb -0.02 -3.51 -0.12 0.00 0.00 0.00 0.00 34.13 30.48 1rf6 s GLU 161 CO -0.00 -0.63 1.66 1.28 0.02 0.00 0.00 175.26 177.58 1rf6 n LEU 162 N 4.86 4.02 0.03 2.70 4.32 -0.78 -4.88 117.00 127.27 1rf6 n LEU 162 Ca -0.13 1.09 0.14 0.00 -0.02 0.00 0.00 56.01 57.09 1rf6 n LEU 162 Cb 0.46 -1.56 0.55 0.00 -1.62 0.00 0.00 43.42 41.24 1rf6 n LEU 162 CO 0.33 0.11 0.92 -0.81 -1.22 0.00 0.00 177.39 176.72 1rf6 n PRO 163 N 3.26 0.07 -4.01 3.23 -0.04 -1.26 -4.15 135.00 132.09 1rf6 n PRO 163 Ca 0.13 0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.57 1rf6 n PRO 163 Cb 0.35 -1.58 -0.10 0.00 -0.04 0.00 0.00 33.50 32.13 1rf6 n PRO 163 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1rf6 s ILE 164 N -3.03 0.16 -1.01 0.52 1.10 -1.26 -5.03 121.20 112.66 1rf6 s ILE 164 Ca 0.13 -1.36 -0.06 0.00 -0.51 0.00 0.00 60.65 58.85 1rf6 s ILE 164 Cb 0.17 -1.00 -0.06 0.00 0.15 0.00 0.00 42.46 41.73 1rf6 s ILE 164 CO 0.55 -0.75 2.24 0.00 -2.11 0.00 0.00 174.94 174.88 1rf6 n ALA 165 N 0.70 5.13 -2.93 1.50 0.00 -1.26 -4.55 120.51 119.10 1rf6 n ALA 165 Ca -0.18 -2.21 -0.37 0.00 0.00 0.00 0.00 53.44 50.68 1rf6 n ALA 165 Cb 0.59 -3.05 -0.12 0.00 0.00 0.00 0.00 19.45 16.87 1rf6 n ALA 165 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rf6 s SER 166 N 3.21 5.38 0.20 0.00 0.15 -1.26 -4.89 113.70 116.49 1rf6 s SER 166 Ca 0.44 -0.14 0.01 0.00 0.70 0.00 0.00 55.95 56.96 1rf6 s SER 166 Cb 0.11 -1.97 0.13 0.00 -1.71 0.00 0.00 66.02 62.58 1rf6 s SER 166 CO -0.04 -0.02 1.48 0.00 1.20 0.00 0.00 173.24 175.86 1rf6 h ALA 167 N 8.17 0.69 -0.10 5.45 0.00 -1.89 -2.98 119.26 128.59 1rf6 h ALA 167 Ca -0.37 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1rf6 h ALA 167 Cb 1.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1rf6 h ALA 167 CO 0.58 0.77 0.06 1.96 0.00 0.00 0.00 179.25 182.62 1rf6 h GLN 168 N 0.22 0.12 -0.73 0.00 4.20 -1.93 0.12 115.11 117.11 1rf6 h GLN 168 Ca -0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1rf6 h GLN 168 Cb 1.24 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.96 1rf6 h GLN 168 CO 0.11 0.08 0.41 0.28 -0.67 0.00 0.00 178.83 179.04 1rf6 h VAL 169 N 0.13 1.22 -0.24 -0.54 2.07 -1.92 -0.23 116.25 116.73 1rf6 h VAL 169 Ca 0.04 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.06 1rf6 h VAL 169 Cb -0.01 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 1rf6 h VAL 169 CO -0.01 0.24 0.04 0.50 0.02 0.00 0.00 177.57 178.35 1rf6 h LYS 170 N 1.00 0.12 -0.38 1.57 3.64 -1.29 -2.19 116.57 119.05 1rf6 h LYS 170 Ca 0.26 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1rf6 h LYS 170 Cb 0.02 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1rf6 h LYS 170 CO -0.04 0.08 0.13 0.77 -2.27 0.00 0.00 179.45 178.12 1rf6 h SER 171 N 0.13 0.53 -0.58 4.20 0.02 -0.36 -1.87 113.55 115.62 1rf6 h SER 171 Ca 0.11 -0.19 0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1rf6 h SER 171 Cb 0.12 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 1rf6 h SER 171 CO -0.16 0.58 0.32 0.00 -1.14 0.00 0.00 176.83 176.43 1rf6 h ALA 172 N 0.98 0.76 -0.23 3.77 0.00 -0.87 -1.26 119.26 122.40 1rf6 h ALA 172 Ca 0.12 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1rf6 h ALA 172 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1rf6 h ALA 172 CO -0.01 -0.00 -0.20 -0.07 0.00 0.00 0.00 179.25 178.97 1rf6 h LEU 173 N 0.61 0.41 -0.15 0.00 4.07 -1.26 -1.84 115.31 117.14 1rf6 h LEU 173 Ca 0.25 -0.12 -0.03 0.00 0.08 0.00 0.00 57.88 58.06 1rf6 h LEU 173 Cb 0.12 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.75 1rf6 h LEU 173 CO -0.15 0.62 -0.02 0.24 -1.08 0.00 0.00 178.44 178.05 1rf6 h MET 174 N 0.38 0.28 -0.86 1.13 2.86 -0.56 0.30 114.93 118.45 1rf6 h MET 174 Ca 0.06 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1rf6 h MET 174 Cb 0.57 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 1rf6 h MET 174 CO 0.04 0.53 0.57 0.74 1.06 0.00 0.00 176.91 179.85 1rf6 h PHE 175 N -0.01 1.07 -0.48 -0.22 0.05 -1.13 -0.75 116.94 115.48 1rf6 h PHE 175 Ca 0.04 0.03 -0.09 0.00 3.82 0.00 0.00 57.97 61.77 1rf6 h PHE 175 Cb 0.42 -0.36 -0.02 0.00 2.00 0.00 0.00 35.95 37.99 1rf6 h PHE 175 CO 0.04 0.66 -0.05 0.00 -0.18 0.00 0.00 178.31 178.79 1rf6 h ALA 176 N 1.47 0.65 -0.73 2.45 0.00 -1.10 -2.96 119.26 119.04 1rf6 h ALA 176 Ca 0.32 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1rf6 h ALA 176 Cb -0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1rf6 h ALA 176 CO -0.08 0.50 0.48 0.00 0.00 0.00 0.00 179.25 180.16 1rf6 h ALA 177 N 0.91 1.54 0.00 0.00 0.00 0.82 -1.47 119.26 121.05 1rf6 h ALA 177 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rf6 h ALA 177 Cb 0.58 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1rf6 h ALA 177 CO 0.03 0.41 0.00 -0.07 0.00 0.00 0.00 179.25 179.62 1rf6 h LEU 178 N 0.93 0.00 0.00 0.00 4.07 -1.01 -2.26 115.31 117.04 1rf6 h LEU 178 Ca 0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.24 1rf6 h LEU 178 Cb -0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.72 1rf6 h LEU 178 CO -0.07 0.00 -1.42 0.00 -1.08 0.00 0.00 178.44 175.87 1rf6 n GLN 179 N -2.78 0.92 -2.84 1.13 6.02 -0.59 -1.43 117.38 117.81 1rf6 n GLN 179 Ca -0.02 -0.10 -0.37 0.00 -0.01 0.00 0.00 57.00 56.49 1rf6 n GLN 179 Cb 0.08 -1.32 -0.06 0.00 1.02 0.00 0.00 30.24 29.96 1rf6 n GLN 179 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rf6 s ALA 180 N -2.88 3.28 -0.51 -1.58 0.00 -0.85 -4.66 121.76 114.56 1rf6 s ALA 180 Ca -0.02 0.47 -0.23 0.00 0.00 0.00 0.00 51.96 52.17 1rf6 s ALA 180 Cb 0.10 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 20.15 1rf6 s ALA 180 CO 0.63 0.21 0.84 -1.59 0.00 0.00 0.00 175.76 175.85 1rf6 s LYS 181 N -1.85 3.31 0.00 0.00 0.00 -1.25 -2.50 119.74 117.44 1rf6 s LYS 181 Ca 0.47 -0.34 0.00 0.00 0.00 0.00 0.00 55.97 56.09 1rf6 s LYS 181 Cb -0.20 -4.03 0.00 0.00 0.00 0.00 0.00 37.83 33.60 1rf6 s LYS 181 CO 0.25 -1.33 0.00 0.41 0.00 0.00 0.00 175.35 174.67 1rf6 n GLY 182 N 5.09 1.20 3.66 0.59 0.00 -0.61 -4.46 105.19 110.66 1rf6 n GLY 182 Ca 0.00 -2.04 -0.39 0.00 0.00 0.00 0.00 46.02 43.59 1rf6 n GLY 182 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rf6 s GLU 183 N -1.11 4.18 0.03 1.61 2.12 -1.26 -2.14 118.70 122.14 1rf6 s GLU 183 Ca 0.00 0.44 0.01 0.00 0.36 0.00 0.00 54.97 55.78 1rf6 s GLU 183 Cb 0.00 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1rf6 s GLU 183 CO 0.00 -0.18 0.07 -1.12 -0.54 0.00 0.00 175.26 173.49 1rf6 s SER 184 N 1.19 5.54 -0.15 -1.70 0.01 -0.51 -4.49 113.70 113.60 1rf6 s SER 184 Ca 0.25 0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.54 1rf6 s SER 184 Cb -0.15 -1.53 0.05 0.00 0.21 0.00 0.00 66.02 64.59 1rf6 s SER 184 CO 0.10 0.23 0.01 -0.69 0.41 0.00 0.00 173.24 173.29 1rf6 s VAL 185 N -1.27 0.57 -0.20 3.43 1.01 0.21 -1.08 120.40 123.06 1rf6 s VAL 185 Ca 0.25 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 1rf6 s VAL 185 Cb -0.12 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 1rf6 s VAL 185 CO 0.17 0.02 -0.08 -0.63 0.00 0.00 0.00 175.10 174.58 1rf6 s ILE 186 N 1.86 3.07 -0.18 2.22 1.01 0.14 -1.94 121.20 127.38 1rf6 s ILE 186 Ca 0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 1rf6 s ILE 186 Cb -0.15 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 1rf6 s ILE 186 CO -0.07 0.46 -0.05 -0.63 0.00 0.00 0.00 174.94 174.64 1rf6 s ILE 187 N 1.34 3.52 0.42 2.92 1.01 -0.73 -0.04 121.20 129.64 1rf6 s ILE 187 Ca 0.04 -0.47 -0.22 0.00 0.00 0.00 0.00 60.65 60.00 1rf6 s ILE 187 Cb -0.14 -2.56 -0.09 0.00 0.01 0.00 0.00 42.46 39.67 1rf6 s ILE 187 CO -0.05 0.46 1.01 -1.61 0.00 0.00 0.00 174.94 174.76 1rf6 s GLU 188 N 0.93 4.12 0.04 2.79 2.02 0.10 -1.87 118.70 126.83 1rf6 s GLU 188 Ca -0.01 1.36 -0.16 0.00 0.02 0.00 0.00 54.97 56.19 1rf6 s GLU 188 Cb -0.15 -2.36 -0.27 0.00 0.10 0.00 0.00 34.13 31.45 1rf6 s GLU 188 CO 0.01 -0.16 1.10 -0.22 0.02 0.00 0.00 175.26 176.01 1rf6 h LYS 189 N 2.17 0.59 -4.04 1.61 1.63 -1.80 -3.47 116.57 113.26 1rf6 h LYS 189 Ca -0.49 -0.74 -0.11 0.00 -0.85 0.00 0.00 60.65 58.46 1rf6 h LYS 189 Cb 1.21 0.24 -0.14 0.00 -0.60 0.00 0.00 32.23 32.93 1rf6 h LYS 189 CO 0.61 1.32 -0.51 -1.21 -3.45 0.00 0.00 179.45 176.22 1rf6 s GLU 190 N -3.04 0.81 0.04 1.90 0.41 -1.26 -5.00 118.70 112.57 1rf6 s GLU 190 Ca -0.10 -1.13 -0.31 0.00 -0.41 0.00 0.00 54.97 53.02 1rf6 s GLU 190 Cb 0.05 0.29 -0.06 0.00 -1.78 0.00 0.00 34.13 32.63 1rf6 s GLU 190 CO 0.91 -0.23 1.30 0.71 -0.49 0.00 0.00 175.26 177.46 1rf6 s TYR 191 N -3.92 3.21 0.40 1.61 1.51 -1.26 -4.89 117.35 114.01 1rf6 s TYR 191 Ca 0.09 1.08 0.06 0.00 -1.01 0.00 0.00 57.07 57.29 1rf6 s TYR 191 Cb 0.06 -3.55 -0.07 0.00 -0.11 0.00 0.00 41.96 38.29 1rf6 s TYR 191 CO -0.08 -1.86 0.02 0.95 -1.11 0.00 0.00 175.55 173.47 1rf6 s THR 192 N 1.56 1.77 0.05 -0.71 -4.23 -1.26 -4.67 115.64 108.15 1rf6 s THR 192 Ca 0.61 -2.00 -0.38 0.00 -1.18 0.00 0.00 61.69 58.74 1rf6 s THR 192 Cb -0.31 -2.89 -0.18 0.00 1.34 0.00 0.00 72.50 70.46 1rf6 s THR 192 CO 0.28 0.00 1.24 -2.11 -0.54 0.00 0.00 174.62 173.49 1rf6 n ARG 193 N -0.94 0.71 -1.07 3.99 1.85 -1.26 -4.85 116.66 115.09 1rf6 n ARG 193 Ca -0.06 0.26 -0.16 0.00 -1.00 0.00 0.00 57.85 56.89 1rf6 n ARG 193 Cb 0.67 -1.85 0.19 0.00 -1.05 0.00 0.00 32.46 30.43 1rf6 n ARG 193 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1rf6 n ASN 194 N 2.16 3.35 -0.24 2.89 6.94 -1.26 -4.69 115.26 124.41 1rf6 n ASN 194 Ca 0.19 -3.65 0.03 0.00 -0.02 0.00 0.00 54.58 51.13 1rf6 n ASN 194 Cb 0.15 -0.76 0.26 0.00 -2.36 0.00 0.00 39.78 37.07 1rf6 n ASN 194 CO 0.00 0.00 0.00 0.45 -1.03 0.00 0.00 177.26 176.68 1rf6 h HIS 195 N 1.08 0.95 -0.45 -2.53 3.86 -1.99 -1.54 115.15 114.53 1rf6 h HIS 195 Ca 0.47 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.64 1rf6 h HIS 195 Cb 2.42 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 30.56 1rf6 h HIS 195 CO 1.39 0.54 0.00 1.15 0.86 0.00 0.00 177.93 181.87 1rf6 h THR 196 N 0.97 1.23 -0.27 2.45 2.02 -1.97 -0.37 112.91 116.97 1rf6 h THR 196 Ca 0.33 -0.96 -0.09 0.00 0.77 0.00 0.00 66.41 66.46 1rf6 h THR 196 Cb 0.08 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1rf6 h THR 196 CO -0.10 0.34 -0.19 -0.33 0.37 0.00 0.00 175.52 175.61 1rf6 h GLU 197 N 0.69 0.61 0.11 6.66 3.07 -1.73 -0.79 114.58 123.20 1rf6 h GLU 197 Ca 0.14 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.36 58.70 1rf6 h GLU 197 Cb 0.42 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1rf6 h GLU 197 CO 0.02 0.88 -0.05 -0.44 -1.40 0.00 0.00 179.01 178.01 1rf6 h ASP 198 N 0.34 -0.13 0.45 1.42 3.45 -1.08 -3.13 116.42 117.74 1rf6 h ASP 198 Ca 0.05 -0.18 -0.08 0.00 0.43 0.00 0.00 57.03 57.25 1rf6 h ASP 198 Cb 0.72 0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.51 1rf6 h ASP 198 CO 0.05 0.11 -0.39 0.24 -1.57 0.00 0.00 179.24 177.67 1rf6 h MET 199 N -0.36 0.00 -0.95 3.56 2.86 -1.11 -1.84 114.93 117.08 1rf6 h MET 199 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1rf6 h MET 199 Cb 0.30 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.91 1rf6 h MET 199 CO 0.03 0.39 0.61 1.25 1.06 0.00 0.00 176.91 180.24 1rf6 h LEU 200 N 0.00 1.11 -0.30 1.22 5.85 -1.13 -0.52 115.31 121.55 1rf6 h LEU 200 Ca -0.00 -0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.48 1rf6 h LEU 200 Cb 0.72 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1rf6 h LEU 200 CO 0.05 0.83 -0.60 1.56 -0.34 0.00 0.00 178.44 179.94 1rf6 h GLN 201 N 1.30 0.82 -0.07 1.25 4.20 -1.40 0.23 115.11 121.43 1rf6 h GLN 201 Ca 0.35 -0.55 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 1rf6 h GLN 201 Cb -0.11 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1rf6 h GLN 201 CO -0.07 1.18 -0.04 0.37 -0.67 0.00 0.00 178.83 179.60 1rf6 h GLN 202 N 0.61 0.10 -0.81 1.46 4.15 -0.62 -1.38 115.11 118.63 1rf6 h GLN 202 Ca -0.00 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 1rf6 h GLN 202 Cb 1.21 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.83 1rf6 h GLN 202 CO 0.13 0.15 0.09 1.19 -1.93 0.00 0.00 178.83 178.46 1rf6 n PHE 203 N -4.43 1.39 -1.00 3.99 3.01 -0.27 -4.88 117.46 115.26 1rf6 n PHE 203 Ca -0.02 -0.64 -0.00 0.00 1.01 0.00 0.00 57.45 57.80 1rf6 n PHE 203 Cb 0.16 -0.42 -0.00 0.00 -0.01 0.00 0.00 39.48 39.20 1rf6 n PHE 203 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rf6 n GLY 204 N 0.18 0.43 3.97 1.37 0.00 -0.52 -1.96 105.19 108.66 1rf6 n GLY 204 Ca 0.21 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1rf6 n GLY 204 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rf6 s GLY 205 N -2.04 1.76 0.04 -0.02 0.00 0.80 -4.91 107.32 102.95 1rf6 s GLY 205 Ca 0.00 -1.50 0.02 0.00 0.00 0.00 0.00 44.72 43.24 1rf6 s GLY 205 CO 0.00 -0.91 -0.07 0.30 0.00 0.00 0.00 173.10 172.42 1rf6 s HIS 206 N -3.33 0.60 -0.03 1.90 3.76 -1.26 -4.28 115.29 112.65 1rf6 s HIS 206 Ca 0.67 -0.53 -0.29 0.00 -0.15 0.00 0.00 55.06 54.77 1rf6 s HIS 206 Cb -0.06 -0.37 0.10 0.00 1.11 0.00 0.00 32.58 33.37 1rf6 s HIS 206 CO 0.46 -0.11 0.85 -0.48 -0.85 0.00 0.00 174.74 174.61 1rf6 s LEU 207 N -1.63 -0.44 -0.16 0.89 2.34 -1.26 -4.52 118.68 113.90 1rf6 s LEU 207 Ca -0.10 0.20 0.01 0.00 0.06 0.00 0.00 54.13 54.30 1rf6 s LEU 207 Cb -0.09 2.14 0.01 0.00 -0.56 0.00 0.00 46.19 47.68 1rf6 s LEU 207 CO -0.00 -0.60 -0.17 -0.55 -1.06 0.00 0.00 176.35 173.97 1rf6 s SER 208 N -1.99 3.46 -0.29 1.48 0.15 -0.57 -4.99 113.70 110.96 1rf6 s SER 208 Ca 0.00 -0.54 -0.06 0.00 0.70 0.00 0.00 55.95 56.06 1rf6 s SER 208 Cb -0.01 -1.53 0.01 0.00 -1.71 0.00 0.00 66.02 62.79 1rf6 s SER 208 CO -0.04 0.06 0.06 0.68 1.20 0.00 0.00 173.24 175.19 1rf6 s VAL 209 N 0.98 3.76 -0.41 4.45 -7.23 -1.26 -1.20 120.40 119.49 1rf6 s VAL 209 Ca -0.02 -0.78 0.03 0.00 -1.81 0.00 0.00 61.98 59.40 1rf6 s VAL 209 Cb -0.15 -2.94 0.12 0.00 0.56 0.00 0.00 36.38 33.96 1rf6 s VAL 209 CO -0.04 0.09 0.15 -0.62 -0.31 0.00 0.00 175.10 174.37 1rf6 s ASP 210 N 1.46 4.32 1.56 4.85 2.15 0.08 -5.02 116.67 126.09 1rf6 s ASP 210 Ca 0.02 -2.42 0.00 0.00 0.43 0.00 0.00 52.55 50.57 1rf6 s ASP 210 Cb -0.17 -1.41 0.00 0.00 -0.30 0.00 0.00 42.92 41.03 1rf6 s ASP 210 CO 0.01 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 1rf6 n GLY 211 N 3.87 2.33 0.21 2.66 0.00 -1.26 -1.34 105.19 111.65 1rf6 n GLY 211 Ca 0.04 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.86 1rf6 n GLY 211 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rf6 n LYS 212 N 13.24 0.90 -3.11 1.61 5.02 -1.26 -4.82 118.16 129.74 1rf6 n LYS 212 Ca 0.00 -0.41 -0.40 0.00 -2.02 0.00 0.00 58.31 55.48 1rf6 n LYS 212 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 1rf6 n LYS 212 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1rf6 s LYS 213 N -2.38 4.25 -0.14 1.97 2.20 -0.45 -0.72 119.74 124.47 1rf6 s LYS 213 Ca 0.30 0.66 0.02 0.00 -0.36 0.00 0.00 55.97 56.59 1rf6 s LYS 213 Cb 0.20 -3.56 0.01 0.00 -1.51 0.00 0.00 37.83 32.97 1rf6 s LYS 213 CO 0.46 -0.19 -0.20 0.42 -0.36 0.00 0.00 175.35 175.47 1rf6 s ILE 214 N 1.74 2.21 -0.15 5.43 1.01 0.95 -0.74 121.20 131.65 1rf6 s ILE 214 Ca 0.30 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 1rf6 s ILE 214 Cb -0.16 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 1rf6 s ILE 214 CO 0.11 0.54 -0.13 0.28 0.00 0.00 0.00 174.94 175.74 1rf6 s THR 215 N 0.81 2.88 -0.13 2.92 -1.32 -0.34 0.29 115.64 120.74 1rf6 s THR 215 Ca -0.07 -0.70 -0.00 0.00 -1.21 0.00 0.00 61.69 59.70 1rf6 s THR 215 Cb -0.16 -2.22 0.03 0.00 -1.51 0.00 0.00 72.50 68.64 1rf6 s THR 215 CO -0.01 0.51 -0.08 -0.69 -2.21 0.00 0.00 174.62 172.13 1rf6 s VAL 216 N 0.70 1.13 0.33 5.08 1.01 -0.24 -1.51 120.40 126.90 1rf6 s VAL 216 Ca -0.06 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 1rf6 s VAL 216 Cb -0.15 -1.16 -0.07 0.00 0.00 0.00 0.00 36.38 34.99 1rf6 s VAL 216 CO 0.02 0.34 0.70 -1.10 0.00 0.00 0.00 175.10 175.05 1rf6 s GLN 217 N 1.66 3.86 0.15 2.72 -1.52 -1.26 -1.42 119.66 123.84 1rf6 s GLN 217 Ca 0.04 0.47 -0.10 0.00 -1.95 0.00 0.00 55.36 53.82 1rf6 s GLN 217 Cb -0.13 -2.48 -0.00 0.00 -0.22 0.00 0.00 33.01 30.18 1rf6 s GLN 217 CO -0.09 0.13 0.29 0.20 -0.25 0.00 0.00 175.29 175.57 1rf6 s GLY 218 N -2.66 0.30 0.65 3.09 0.00 -0.91 -4.59 107.32 103.19 1rf6 s GLY 218 Ca 0.51 -0.72 -0.13 0.00 0.00 0.00 0.00 44.72 44.38 1rf6 s GLY 218 CO 0.24 -0.75 1.06 -4.14 0.00 0.00 0.00 173.10 169.51 1rf6 s PRO 219 N -3.93 3.10 0.12 2.90 0.02 -1.04 -1.57 135.00 134.60 1rf6 s PRO 219 Ca 0.13 1.08 0.06 0.00 0.02 0.00 0.00 61.00 62.30 1rf6 s PRO 219 Cb 0.03 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1rf6 s PRO 219 CO -0.03 -0.97 -0.15 -0.65 -0.33 0.00 0.00 177.00 174.87 1rf6 s GLN 220 N -4.56 1.04 -0.09 5.54 -0.21 -0.52 -5.01 119.66 115.86 1rf6 s GLN 220 Ca 0.61 -1.24 0.03 0.00 0.02 0.00 0.00 55.36 54.77 1rf6 s GLN 220 Cb -0.15 -0.96 -0.02 0.00 1.00 0.00 0.00 33.01 32.89 1rf6 s GLN 220 CO 0.46 0.19 -0.17 0.15 -2.12 0.00 0.00 175.29 173.80 1rf6 s LYS 221 N -2.62 2.92 0.29 2.91 -0.14 -1.26 -4.79 119.74 117.05 1rf6 s LYS 221 Ca 0.09 -0.75 0.10 0.00 -1.36 0.00 0.00 55.97 54.05 1rf6 s LYS 221 Cb -0.05 -2.44 -0.05 0.00 -1.68 0.00 0.00 37.83 33.62 1rf6 s LYS 221 CO 0.03 0.37 -0.02 -0.51 -0.76 0.00 0.00 175.35 174.47 1rf6 s LEU 222 N -0.09 3.07 -0.03 3.17 1.02 -1.26 -4.63 118.68 119.92 1rf6 s LEU 222 Ca -0.03 -0.78 0.05 0.00 0.02 0.00 0.00 54.13 53.38 1rf6 s LEU 222 Cb -0.14 -1.55 -0.01 0.00 0.02 0.00 0.00 46.19 44.51 1rf6 s LEU 222 CO 0.04 -0.07 -0.17 -0.89 0.02 0.00 0.00 176.35 175.28 1rf6 s THR 223 N -2.40 1.39 0.61 5.49 2.01 -0.83 -0.77 115.64 121.14 1rf6 s THR 223 Ca 0.32 -0.71 -0.18 0.00 0.31 0.00 0.00 61.69 61.43 1rf6 s THR 223 Cb -0.05 -1.18 -0.05 0.00 0.01 0.00 0.00 72.50 71.23 1rf6 s THR 223 CO 0.19 0.40 0.85 0.61 -0.69 0.00 0.00 174.62 175.98 1rf6 n GLY 224 N 2.96 -0.64 3.32 4.40 0.00 0.02 -4.69 105.19 110.56 1rf6 n GLY 224 Ca -0.17 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 1rf6 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rf6 s GLN 225 N -2.65 1.44 -0.24 1.61 -1.52 -1.21 -4.86 119.66 112.23 1rf6 s GLN 225 Ca 0.75 -1.65 -0.10 0.00 -1.95 0.00 0.00 55.36 52.41 1rf6 s GLN 225 Cb -0.41 0.34 -0.05 0.00 -0.22 0.00 0.00 33.01 32.67 1rf6 s GLN 225 CO 0.48 -0.53 0.14 0.15 -0.25 0.00 0.00 175.29 175.29 1rf6 s LYS 226 N -3.88 3.97 -0.19 2.91 1.02 -1.26 -1.36 119.74 120.95 1rf6 s LYS 226 Ca 0.35 -0.32 -0.01 0.00 0.02 0.00 0.00 55.97 56.02 1rf6 s LYS 226 Cb 0.04 -3.50 0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1rf6 s LYS 226 CO 0.15 -0.00 -0.14 0.08 -0.92 0.00 0.00 175.35 174.52 1rf6 s VAL 227 N 1.21 2.56 -0.35 3.17 1.01 0.68 -4.96 120.40 123.72 1rf6 s VAL 227 Ca 0.07 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 1rf6 s VAL 227 Cb -0.14 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.13 1rf6 s VAL 227 CO 0.05 0.50 0.19 -0.69 0.00 0.00 0.00 175.10 175.15 1rf6 s VAL 228 N 1.34 4.69 -0.22 2.92 1.01 -1.26 -0.36 120.40 128.51 1rf6 s VAL 228 Ca 0.05 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 1rf6 s VAL 228 Cb -0.14 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 1rf6 s VAL 228 CO -0.09 -0.09 0.85 -0.69 0.00 0.00 0.00 175.10 175.07 1rf6 s VAL 229 N 1.60 4.84 0.80 2.92 1.01 -0.70 -4.98 120.40 125.88 1rf6 s VAL 229 Ca 0.04 1.62 -0.11 0.00 0.00 0.00 0.00 61.98 63.52 1rf6 s VAL 229 Cb -0.18 -4.14 0.07 0.00 0.00 0.00 0.00 36.38 32.13 1rf6 s VAL 229 CO 0.07 -0.06 1.09 -2.16 0.00 0.00 0.00 175.10 174.04 1rf6 s PRO 230 N 2.70 2.08 0.54 2.72 0.04 -1.26 -4.72 135.00 137.09 1rf6 s PRO 230 Ca 0.36 0.81 -0.21 0.00 0.04 0.00 0.00 61.00 62.01 1rf6 s PRO 230 Cb -0.16 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1rf6 s PRO 230 CO 0.08 -1.66 1.25 0.20 0.04 0.00 0.00 177.00 176.91 1rf6 s GLY 231 N -3.70 2.80 -0.13 0.56 0.00 0.69 -0.92 107.32 106.62 1rf6 s GLY 231 Ca 0.61 1.10 -0.27 0.00 0.00 0.00 0.00 44.72 46.15 1rf6 s GLY 231 CO 0.55 1.55 0.91 -0.35 0.00 0.00 0.00 173.10 175.76 1rf6 s ASP 232 N -1.30 7.11 0.36 1.64 3.68 -0.67 -0.97 116.67 126.52 1rf6 s ASP 232 Ca 0.71 1.36 0.08 0.00 2.13 0.00 0.00 52.55 56.83 1rf6 s ASP 232 Cb -0.33 -2.50 0.69 0.00 -1.45 0.00 0.00 42.92 39.33 1rf6 s ASP 232 CO 0.39 -0.40 1.87 0.40 0.13 0.00 0.00 175.17 177.55 1rf6 h ILE 233 N 5.11 1.21 0.00 4.11 5.03 -1.92 -0.44 117.51 130.60 1rf6 h ILE 233 Ca -0.31 -0.92 -0.03 0.00 -0.12 0.00 0.00 64.86 63.47 1rf6 h ILE 233 Cb 1.14 1.26 -0.00 0.00 -3.03 0.00 0.00 36.82 36.19 1rf6 h ILE 233 CO 0.84 0.29 -0.16 0.28 -0.68 0.00 0.00 178.15 178.71 1rf6 h SER 234 N 0.27 0.00 0.10 1.72 0.02 -1.92 0.28 113.55 114.01 1rf6 h SER 234 Ca 0.05 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.74 1rf6 h SER 234 Cb 0.45 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1rf6 h SER 234 CO 0.03 0.16 -1.34 0.28 -1.14 0.00 0.00 176.83 174.82 1rf6 h SER 235 N 0.00 0.32 0.05 3.07 0.02 -1.70 -3.32 113.55 111.98 1rf6 h SER 235 Ca -0.00 -0.83 -0.01 0.00 -0.84 0.00 0.00 61.79 60.12 1rf6 h SER 235 Cb 0.41 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1rf6 h SER 235 CO 0.02 1.58 -0.03 0.00 -1.14 0.00 0.00 176.83 177.26 1rf6 h ALA 236 N -0.09 1.81 -0.68 3.77 0.00 -0.81 -2.64 119.26 120.62 1rf6 h ALA 236 Ca -0.30 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.72 1rf6 h ALA 236 Cb 1.68 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 1rf6 h ALA 236 CO 0.03 0.04 0.46 0.00 0.00 0.00 0.00 179.25 179.78 1rf6 h ALA 237 N 1.97 2.18 -0.12 0.00 0.00 -0.56 -0.61 119.26 122.11 1rf6 h ALA 237 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1rf6 h ALA 237 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1rf6 h ALA 237 CO 0.00 -0.36 -0.24 0.74 0.00 0.00 0.00 179.25 179.40 1rf6 h PHE 238 N 0.33 0.23 0.00 0.00 -1.00 -1.66 -2.38 116.94 112.46 1rf6 h PHE 238 Ca 0.33 -0.04 -0.26 0.00 2.81 0.00 0.00 57.97 60.81 1rf6 h PHE 238 Cb 0.83 -0.06 -0.04 0.00 3.61 0.00 0.00 35.95 40.29 1rf6 h PHE 238 CO -0.00 0.44 -1.40 -1.49 -1.61 0.00 0.00 178.31 174.25 1rf6 h TRP 239 N 0.19 0.01 0.16 -0.55 -0.00 -1.33 -1.86 115.95 112.56 1rf6 h TRP 239 Ca 0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.91 1rf6 h TRP 239 Cb 0.53 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.69 1rf6 h TRP 239 CO 0.01 1.01 -0.09 -0.07 -0.00 0.00 0.00 178.44 179.29 1rf6 h LEU 240 N 0.00 -0.22 -0.33 -4.49 3.38 -1.05 0.12 115.31 112.72 1rf6 h LEU 240 Ca -0.17 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1rf6 h LEU 240 Cb 1.91 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 1rf6 h LEU 240 CO 0.10 -0.15 0.14 0.58 0.09 0.00 0.00 178.44 179.20 1rf6 h VAL 241 N -0.24 1.18 -0.68 1.22 2.07 -1.52 -2.32 116.25 115.96 1rf6 h VAL 241 Ca -0.02 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.00 1rf6 h VAL 241 Cb 0.20 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1rf6 h VAL 241 CO 0.02 0.19 0.42 0.00 0.02 0.00 0.00 177.57 178.22 1rf6 h ALA 242 N 0.99 0.89 0.00 1.67 0.00 -1.12 -0.80 119.26 120.89 1rf6 h ALA 242 Ca 0.11 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1rf6 h ALA 242 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1rf6 h ALA 242 CO -0.01 0.19 -0.29 0.78 0.00 0.00 0.00 179.25 179.91 1rf6 h GLY 243 N 0.83 0.00 1.55 0.00 0.00 -0.62 -1.22 103.07 103.60 1rf6 h GLY 243 Ca 0.28 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.34 1rf6 h GLY 243 CO -0.11 0.00 -1.31 1.41 0.00 0.00 0.00 176.54 176.53 1rf6 h LEU 244 N 0.00 0.30 0.00 3.11 3.38 -0.80 -0.64 115.31 120.66 1rf6 h LEU 244 Ca -0.00 -0.36 -0.23 0.00 0.09 0.00 0.00 57.88 57.38 1rf6 h LEU 244 Cb 0.69 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1rf6 h LEU 244 CO 0.04 1.29 -1.93 -0.38 0.09 0.00 0.00 178.44 177.55 1rf6 n ILE 245 N -3.44 1.08 -2.84 1.22 5.41 -0.37 -1.29 119.36 119.13 1rf6 n ILE 245 Ca -0.10 -0.73 -0.32 0.00 1.00 0.00 0.00 62.75 62.60 1rf6 n ILE 245 Cb 1.01 -0.52 -0.05 0.00 -0.71 0.00 0.00 39.64 39.37 1rf6 n ILE 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1rf6 s ALA 246 N -2.84 3.19 0.64 -1.39 0.00 -0.47 -4.95 121.76 115.95 1rf6 s ALA 246 Ca -0.07 0.14 -0.15 0.00 0.00 0.00 0.00 51.96 51.88 1rf6 s ALA 246 Cb 0.09 -2.95 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 1rf6 s ALA 246 CO 0.84 0.10 1.11 -1.25 0.00 0.00 0.00 175.76 176.55 1rf6 s PRO 247 N -3.41 2.90 -1.10 0.00 0.04 -1.26 -4.06 135.00 128.11 1rf6 s PRO 247 Ca 0.57 1.39 -0.28 0.00 0.04 0.00 0.00 61.00 62.72 1rf6 s PRO 247 Cb -0.10 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.52 1rf6 s PRO 247 CO 0.21 -1.17 0.54 0.09 0.04 0.00 0.00 177.00 176.71 1rf6 n ASN 248 N -2.27 -3.15 -4.22 6.66 3.02 -1.26 -4.16 115.26 109.87 1rf6 n ASN 248 Ca 0.10 -1.15 -0.21 0.00 -0.03 0.00 0.00 54.58 53.29 1rf6 n ASN 248 Cb 0.52 -1.39 -0.12 0.00 -0.61 0.00 0.00 39.78 38.18 1rf6 n ASN 248 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1rf6 s SER 249 N -3.76 2.11 -0.27 6.41 0.01 -1.26 -3.44 113.70 113.50 1rf6 s SER 249 Ca 0.40 -0.63 -0.01 0.00 1.31 0.00 0.00 55.95 57.01 1rf6 s SER 249 Cb -0.22 -0.10 0.16 0.00 0.21 0.00 0.00 66.02 66.06 1rf6 s SER 249 CO 0.86 0.01 0.47 -0.60 0.41 0.00 0.00 173.24 174.39 1rf6 s ARG 250 N -1.72 0.44 0.02 12.44 3.52 -0.56 -1.77 118.95 131.32 1rf6 s ARG 250 Ca 0.03 0.67 0.05 0.00 -0.13 0.00 0.00 55.73 56.35 1rf6 s ARG 250 Cb -0.10 -0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.19 1rf6 s ARG 250 CO 0.03 -0.68 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.20 1rf6 s LEU 251 N 2.67 2.84 -0.20 -0.88 1.43 -0.33 -3.27 118.68 120.93 1rf6 s LEU 251 Ca 0.15 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1rf6 s LEU 251 Cb -0.15 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.47 1rf6 s LEU 251 CO -0.19 0.27 -0.13 0.54 0.23 0.00 0.00 176.35 177.07 1rf6 s VAL 252 N -0.94 1.80 -0.39 -1.59 0.11 -0.76 -1.36 120.40 117.27 1rf6 s VAL 252 Ca 0.16 -1.07 -0.10 0.00 -2.93 0.00 0.00 61.98 58.03 1rf6 s VAL 252 Cb -0.11 -1.82 0.04 0.00 -1.53 0.00 0.00 36.38 32.97 1rf6 s VAL 252 CO 0.06 0.23 0.22 -0.76 -3.33 0.00 0.00 175.10 171.52 1rf6 s LEU 253 N 1.33 4.82 0.41 2.54 2.01 0.85 -1.26 118.68 129.38 1rf6 s LEU 253 Ca -0.01 -1.14 -0.01 0.00 0.01 0.00 0.00 54.13 52.98 1rf6 s LEU 253 Cb -0.16 -2.01 -0.02 0.00 0.01 0.00 0.00 46.19 44.01 1rf6 s LEU 253 CO -0.09 -0.43 0.64 -1.10 1.01 0.00 0.00 176.35 176.39 1rf6 s GLN 254 N 1.51 3.37 -1.38 1.70 -0.21 -0.88 0.05 119.66 123.82 1rf6 s GLN 254 Ca 0.02 -0.25 -0.04 0.00 0.02 0.00 0.00 55.36 55.11 1rf6 s GLN 254 Cb -0.20 -2.56 0.02 0.00 1.00 0.00 0.00 33.01 31.27 1rf6 s GLN 254 CO 0.05 -0.06 0.72 -1.71 -2.12 0.00 0.00 175.29 172.17 1rf6 n ASN 255 N -1.99 -1.87 -4.64 5.90 5.15 -1.19 -4.42 115.26 112.21 1rf6 n ASN 255 Ca -0.02 -0.85 -0.36 0.00 -0.60 0.00 0.00 54.58 52.75 1rf6 n ASN 255 Cb 0.56 -3.81 -0.10 0.00 -0.53 0.00 0.00 39.78 35.90 1rf6 n ASN 255 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1rf6 s VAL 256 N -3.63 5.21 0.34 3.44 1.01 -0.38 -0.23 120.40 126.16 1rf6 s VAL 256 Ca 0.17 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 1rf6 s VAL 256 Cb -0.08 -3.42 -0.12 0.00 0.00 0.00 0.00 36.38 32.76 1rf6 s VAL 256 CO 0.83 0.36 1.50 0.61 0.00 0.00 0.00 175.10 178.40 1rf6 n GLY 257 N 4.25 1.16 0.61 4.51 0.00 -0.14 -1.70 105.19 113.88 1rf6 n GLY 257 Ca -0.15 0.38 0.06 0.00 0.00 0.00 0.00 46.02 46.31 1rf6 n GLY 257 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rf6 n ILE 258 N 1.13 1.91 -1.66 -0.61 2.08 0.11 -4.55 119.36 117.77 1rf6 n ILE 258 Ca 0.05 -2.83 -0.47 0.00 0.56 0.00 0.00 62.75 60.06 1rf6 n ILE 258 Cb 0.37 -0.11 -0.04 0.00 -0.75 0.00 0.00 39.64 39.11 1rf6 n ILE 258 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1rf6 n ASN 259 N -0.99 2.86 0.05 4.38 4.05 -1.26 -4.80 115.26 119.56 1rf6 n ASN 259 Ca 0.17 1.09 0.18 0.00 0.45 0.00 0.00 54.58 56.46 1rf6 n ASN 259 Cb 0.73 -1.39 0.68 0.00 1.23 0.00 0.00 39.78 41.03 1rf6 n ASN 259 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1rf6 h GLU 260 N 5.78 0.00 0.00 1.20 4.22 -1.97 0.99 114.58 124.80 1rf6 h GLU 260 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.99 1rf6 h GLU 260 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1rf6 h GLU 260 CO 0.87 0.00 0.00 0.25 -2.18 0.00 0.00 179.01 177.95 1rf6 n THR 261 N -4.41 0.00 -0.34 0.32 -2.24 -1.26 -3.14 114.28 103.22 1rf6 n THR 261 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1rf6 n THR 261 Cb 0.51 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1rf6 n THR 261 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rf6 n ARG 262 N -0.71 0.92 -0.47 -0.78 5.12 0.31 -4.17 116.66 116.88 1rf6 n ARG 262 Ca 0.09 -0.15 0.01 0.00 -1.93 0.00 0.00 57.85 55.87 1rf6 n ARG 262 Cb 0.04 -0.55 0.19 0.00 -1.16 0.00 0.00 32.46 30.98 1rf6 n ARG 262 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1rf6 n THR 263 N -0.17 1.48 -0.23 0.55 -2.24 -1.03 -4.57 114.28 108.06 1rf6 n THR 263 Ca 0.00 -0.73 0.03 0.00 -2.27 0.00 0.00 64.05 61.08 1rf6 n THR 263 Cb 0.08 -0.44 0.13 0.00 -2.10 0.00 0.00 70.33 68.00 1rf6 n THR 263 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1rf6 h GLY 264 N 4.24 0.76 1.88 3.38 0.00 -1.64 -0.56 103.07 111.13 1rf6 h GLY 264 Ca 0.04 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.46 1rf6 h GLY 264 CO 0.29 -0.23 0.05 1.19 0.00 0.00 0.00 176.54 177.84 1rf6 h ILE 265 N 0.13 0.65 -0.46 2.60 2.10 -1.80 -1.50 117.51 119.22 1rf6 h ILE 265 Ca 0.36 0.00 -0.10 0.00 1.08 0.00 0.00 64.86 66.20 1rf6 h ILE 265 Cb 0.61 0.97 -0.01 0.00 -1.09 0.00 0.00 36.82 37.29 1rf6 h ILE 265 CO -0.57 0.00 -0.10 0.40 -1.08 0.00 0.00 178.15 176.80 1rf6 h ILE 266 N 0.00 1.27 -0.57 2.19 2.04 -1.45 -0.57 117.51 120.41 1rf6 h ILE 266 Ca 0.02 -1.22 -0.07 0.00 1.00 0.00 0.00 64.86 64.59 1rf6 h ILE 266 Cb 0.11 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1rf6 h ILE 266 CO -0.00 0.42 0.07 0.44 0.00 0.00 0.00 178.15 179.08 1rf6 h ASP 267 N 0.72 0.89 -0.27 1.72 3.32 -1.26 -1.77 116.42 119.78 1rf6 h ASP 267 Ca 0.12 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 1rf6 h ASP 267 Cb 0.65 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1rf6 h ASP 267 CO 0.04 0.91 0.02 0.58 -1.72 0.00 0.00 179.24 179.08 1rf6 h VAL 268 N 0.88 1.24 -0.99 -1.35 2.07 -1.22 0.20 116.25 117.09 1rf6 h VAL 268 Ca 0.18 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.86 1rf6 h VAL 268 Cb 0.42 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1rf6 h VAL 268 CO 0.01 0.27 0.65 0.40 0.02 0.00 0.00 177.57 178.93 1rf6 h ILE 269 N 0.25 1.25 -0.07 4.57 2.04 -0.92 0.66 117.51 125.29 1rf6 h ILE 269 Ca 0.08 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1rf6 h ILE 269 Cb 0.38 -0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1rf6 h ILE 269 CO 0.01 0.24 0.01 0.03 0.00 0.00 0.00 178.15 178.44 1rf6 h ARG 270 N 1.34 0.12 -0.93 2.37 -0.00 -1.12 0.16 114.38 116.31 1rf6 h ARG 270 Ca 0.36 -0.03 0.13 0.00 -0.50 0.00 0.00 59.98 59.94 1rf6 h ARG 270 Cb -0.15 -0.01 -0.07 0.00 0.00 0.00 0.00 29.97 29.73 1rf6 h ARG 270 CO -0.08 0.34 0.59 0.00 0.00 0.00 0.00 179.97 180.83 1rf6 h ALA 271 N 0.77 1.69 -0.00 0.04 0.00 -0.31 -0.11 119.26 121.33 1rf6 h ALA 271 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rf6 h ALA 271 Cb 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1rf6 h ALA 271 CO 0.00 0.08 -0.08 -1.33 0.00 0.00 0.00 179.25 177.92 1rf6 n MET 272 N -4.58 0.15 -0.79 0.00 2.81 0.16 -4.88 117.12 109.99 1rf6 n MET 272 Ca 0.18 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1rf6 n MET 272 Cb 0.40 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 1rf6 n MET 272 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf6 n GLY 273 N 1.44 0.75 3.79 3.03 0.00 -0.05 -1.39 105.19 112.74 1rf6 n GLY 273 Ca 0.09 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1rf6 n GLY 273 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rf6 s GLY 274 N -2.60 2.71 -0.52 -0.02 0.00 0.49 -4.73 107.32 102.64 1rf6 s GLY 274 Ca 0.00 0.62 -0.29 0.00 0.00 0.00 0.00 44.72 45.06 1rf6 s GLY 274 CO 0.00 1.04 1.18 0.54 0.00 0.00 0.00 173.10 175.85 1rf6 s LYS 275 N -2.48 3.62 -0.04 2.90 1.02 -1.26 -4.65 119.74 118.84 1rf6 s LYS 275 Ca 0.57 0.44 0.01 0.00 0.02 0.00 0.00 55.97 57.00 1rf6 s LYS 275 Cb -0.20 -3.96 0.02 0.00 -0.52 0.00 0.00 37.83 33.17 1rf6 s LYS 275 CO 0.25 -1.54 -0.03 -1.17 -0.92 0.00 0.00 175.35 171.94 1rf6 s LEU 276 N 4.75 1.26 -0.08 3.17 2.96 -1.26 -3.10 118.68 126.38 1rf6 s LEU 276 Ca 0.46 -0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.31 1rf6 s LEU 276 Cb -0.07 -0.41 -0.01 0.00 0.50 0.00 0.00 46.19 46.19 1rf6 s LEU 276 CO 0.29 -0.07 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.32 1rf6 s GLU 277 N 1.00 2.78 -0.17 1.98 2.12 0.29 -4.98 118.70 121.72 1rf6 s GLU 277 Ca -0.10 -0.87 -0.02 0.00 0.36 0.00 0.00 54.97 54.34 1rf6 s GLU 277 Cb -0.14 -2.26 -0.01 0.00 0.26 0.00 0.00 34.13 31.98 1rf6 s GLU 277 CO -0.01 0.31 -0.08 0.42 -0.54 0.00 0.00 175.26 175.36 1rf6 s ILE 278 N 0.02 3.26 0.33 -3.70 1.01 -1.26 -0.76 121.20 120.09 1rf6 s ILE 278 Ca -0.09 -0.56 0.06 0.00 0.00 0.00 0.00 60.65 60.06 1rf6 s ILE 278 Cb -0.15 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 1rf6 s ILE 278 CO 0.05 0.48 0.31 0.35 0.00 0.00 0.00 174.94 176.13 1rf6 n THR 279 N 4.09 0.00 -3.99 2.92 -2.24 -0.48 -4.91 114.28 109.67 1rf6 n THR 279 Ca -0.18 -2.31 -0.27 0.00 -2.27 0.00 0.00 64.05 59.02 1rf6 n THR 279 Cb 0.52 1.19 -0.02 0.00 -2.10 0.00 0.00 70.33 69.92 1rf6 n THR 279 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rf6 n GLU 280 N -0.62 -3.44 -2.16 -0.78 -0.58 -1.26 -0.29 120.64 111.51 1rf6 n GLU 280 Ca 0.07 0.42 -0.42 0.00 -0.42 0.00 0.00 57.16 56.80 1rf6 n GLU 280 Cb 0.59 -4.70 -0.03 0.00 -0.57 0.00 0.00 31.44 26.74 1rf6 n GLU 280 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1rf6 s ILE 281 N -3.80 3.38 -0.41 -3.67 -1.09 -1.26 -4.10 121.20 110.24 1rf6 s ILE 281 Ca 0.16 0.93 -0.04 0.00 -2.23 0.00 0.00 60.65 59.47 1rf6 s ILE 281 Cb -0.09 -3.59 0.11 0.00 -1.58 0.00 0.00 42.46 37.31 1rf6 s ILE 281 CO 0.89 0.05 0.22 -0.62 -1.23 0.00 0.00 174.94 174.24 1rf6 s ASP 282 N 1.44 5.32 0.54 3.58 3.68 0.99 -4.95 116.67 127.27 1rf6 s ASP 282 Ca 0.65 -1.98 0.34 0.00 2.13 0.00 0.00 52.55 53.69 1rf6 s ASP 282 Cb -0.36 -1.86 1.88 0.00 -1.45 0.00 0.00 42.92 41.13 1rf6 s ASP 282 CO 0.29 -0.56 2.05 -0.65 0.13 0.00 0.00 175.17 176.44 1rf6 h PRO 283 N 8.11 0.00 0.00 4.34 0.11 -1.94 -1.11 132.00 141.51 1rf6 h PRO 283 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1rf6 h PRO 283 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1rf6 h PRO 283 CO 0.72 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.79 1rf6 n VAL 284 N -2.75 0.00 0.19 3.15 0.31 -1.26 -4.34 118.33 113.63 1rf6 n VAL 284 Ca -0.02 0.04 0.07 0.00 -0.01 0.00 0.00 64.34 64.42 1rf6 n VAL 284 Cb 0.11 -0.09 0.33 0.00 -0.91 0.00 0.00 33.84 33.27 1rf6 n VAL 284 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rf6 n ALA 285 N -1.06 1.21 -2.63 3.52 0.00 -1.24 -4.87 120.51 115.44 1rf6 n ALA 285 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 1rf6 n ALA 285 Cb 0.00 -1.21 0.05 0.00 0.00 0.00 0.00 19.45 18.29 1rf6 n ALA 285 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1rf6 n LYS 286 N -1.89 -1.81 -4.15 0.00 4.76 -0.44 -4.84 118.16 109.80 1rf6 n LYS 286 Ca 0.00 0.54 -0.11 0.00 -2.87 0.00 0.00 58.31 55.87 1rf6 n LYS 286 Cb 0.07 -4.26 -0.09 0.00 -1.84 0.00 0.00 35.03 28.91 1rf6 n LYS 286 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1rf6 s SER 287 N -3.33 0.14 0.09 4.39 0.01 -1.13 0.04 113.70 113.92 1rf6 s SER 287 Ca 0.24 -1.25 -0.26 0.00 1.31 0.00 0.00 55.95 55.99 1rf6 s SER 287 Cb -0.03 0.39 0.09 0.00 0.21 0.00 0.00 66.02 66.68 1rf6 s SER 287 CO 0.46 -0.86 1.14 0.00 0.41 0.00 0.00 173.24 174.39 1rf6 s ALA 288 N -4.10 -1.95 -0.19 1.44 0.00 -0.69 -0.01 121.76 116.26 1rf6 s ALA 288 Ca 0.32 0.07 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 1rf6 s ALA 288 Cb 0.06 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 1rf6 s ALA 288 CO 0.09 -1.08 0.14 0.99 0.00 0.00 0.00 175.76 175.90 1rf6 s THR 289 N -2.39 5.42 -0.21 0.00 2.01 0.60 -1.25 115.64 119.82 1rf6 s THR 289 Ca 0.20 0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.38 1rf6 s THR 289 Cb -0.00 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 1rf6 s THR 289 CO 0.01 0.46 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.58 1rf6 s LEU 290 N 0.21 2.81 -0.09 4.42 1.02 0.11 -1.38 118.68 125.79 1rf6 s LEU 290 Ca 0.09 -0.40 0.02 0.00 0.02 0.00 0.00 54.13 53.86 1rf6 s LEU 290 Cb -0.11 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.38 1rf6 s LEU 290 CO -0.01 0.00 -0.16 -0.63 0.02 0.00 0.00 176.35 175.57 1rf6 s ILE 291 N 1.34 2.81 0.08 -0.59 1.01 0.06 -0.11 121.20 125.80 1rf6 s ILE 291 Ca 0.04 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1rf6 s ILE 291 Cb -0.14 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 1rf6 s ILE 291 CO -0.03 0.56 -0.07 0.54 0.00 0.00 0.00 174.94 175.93 1rf6 s VAL 292 N -0.07 0.65 0.03 2.92 0.11 -0.46 -0.55 120.40 123.04 1rf6 s VAL 292 Ca -0.04 -1.69 -0.16 0.00 -2.93 0.00 0.00 61.98 57.16 1rf6 s VAL 292 Cb -0.14 -1.38 0.03 0.00 -1.53 0.00 0.00 36.38 33.36 1rf6 s VAL 292 CO 0.04 -0.73 0.36 -1.83 -3.33 0.00 0.00 175.10 169.61 1rf6 s GLU 293 N -3.19 0.84 -0.07 1.54 -1.05 -1.18 -1.19 118.70 114.40 1rf6 s GLU 293 Ca 0.06 -0.36 -0.29 0.00 -0.15 0.00 0.00 54.97 54.22 1rf6 s GLU 293 Cb 0.01 0.37 -0.14 0.00 -0.44 0.00 0.00 34.13 33.93 1rf6 s GLU 293 CO -0.03 -0.27 0.83 0.43 0.95 0.00 0.00 175.26 177.17 1rf6 n SER 294 N 0.68 0.15 -3.87 0.83 7.64 -0.25 -4.36 113.62 114.45 1rf6 n SER 294 Ca -0.19 0.83 -0.10 0.00 1.01 0.00 0.00 58.87 60.42 1rf6 n SER 294 Cb 0.59 -0.65 -0.08 0.00 -1.01 0.00 0.00 64.21 63.05 1rf6 n SER 294 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1rf6 s SER 295 N 0.40 0.08 -0.24 6.43 0.01 -0.41 -4.85 113.70 115.11 1rf6 s SER 295 Ca 0.67 -0.44 -0.15 0.00 1.31 0.00 0.00 55.95 57.33 1rf6 s SER 295 Cb -0.94 0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.54 1rf6 s SER 295 CO 0.44 -0.57 0.37 -1.81 0.41 0.00 0.00 173.24 172.08 1rf6 s ASP 296 N -2.19 6.31 0.28 2.44 1.01 -1.26 -4.75 116.67 118.50 1rf6 s ASP 296 Ca -0.04 0.36 0.07 0.00 0.71 0.00 0.00 52.55 53.65 1rf6 s ASP 296 Cb -0.00 -2.21 -0.03 0.00 1.01 0.00 0.00 42.92 41.68 1rf6 s ASP 296 CO -0.05 -0.13 0.22 -0.76 0.21 0.00 0.00 175.17 174.66 1rf6 s LEU 297 N 1.74 3.71 0.00 1.23 2.01 -1.26 -4.73 118.68 121.39 1rf6 s LEU 297 Ca 0.16 -0.36 0.05 0.00 0.01 0.00 0.00 54.13 53.99 1rf6 s LEU 297 Cb -0.15 -2.27 -0.01 0.00 0.01 0.00 0.00 46.19 43.76 1rf6 s LEU 297 CO 0.09 -0.15 -0.15 -0.54 1.01 0.00 0.00 176.35 176.61 1rf6 s LYS 298 N -3.89 1.12 1.00 1.70 1.02 -0.49 -0.28 119.74 119.91 1rf6 s LYS 298 Ca 0.36 -0.60 -0.14 0.00 0.02 0.00 0.00 55.97 55.61 1rf6 s LYS 298 Cb -0.07 -1.10 0.08 0.00 -0.52 0.00 0.00 37.83 36.22 1rf6 s LYS 298 CO 0.25 0.29 0.41 0.41 -0.92 0.00 0.00 175.35 175.80 1rf6 n GLY 299 N 2.47 -1.97 3.73 -3.33 0.00 -0.52 -4.34 105.19 101.22 1rf6 n GLY 299 Ca -0.15 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 1rf6 n GLY 299 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rf6 s THR 300 N -2.38 0.00 -0.14 2.61 -1.32 -1.23 -4.83 115.64 108.35 1rf6 s THR 300 Ca 0.58 -1.09 -0.05 0.00 -1.21 0.00 0.00 61.69 59.92 1rf6 s THR 300 Cb -0.19 -2.00 -0.04 0.00 -1.51 0.00 0.00 72.50 68.76 1rf6 s THR 300 CO 0.66 -0.01 0.03 -0.70 -2.21 0.00 0.00 174.62 172.39 1rf6 s GLU 301 N -3.94 3.55 -0.23 7.08 2.12 -1.26 -2.00 118.70 124.01 1rf6 s GLU 301 Ca 0.14 -0.38 0.01 0.00 0.36 0.00 0.00 54.97 55.10 1rf6 s GLU 301 Cb -0.04 -3.02 0.06 0.00 0.26 0.00 0.00 34.13 31.40 1rf6 s GLU 301 CO 0.06 0.46 -0.06 0.42 -0.54 0.00 0.00 175.26 175.60 1rf6 s ILE 302 N -0.17 1.53 0.18 -3.70 1.01 0.52 -4.96 121.20 115.61 1rf6 s ILE 302 Ca 0.06 -1.18 -0.07 0.00 0.00 0.00 0.00 60.65 59.46 1rf6 s ILE 302 Cb -0.12 -1.77 0.03 0.00 0.01 0.00 0.00 42.46 40.61 1rf6 s ILE 302 CO 0.02 -0.06 0.38 0.00 0.00 0.00 0.00 174.94 175.27 1rf6 n GLY 304 N -0.26 2.78 0.17 0.00 0.00 -1.26 -2.67 105.19 103.96 1rf6 n GLY 304 Ca -0.04 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.77 1rf6 n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf6 h ALA 305 N -0.83 1.02 -0.02 4.61 0.00 -1.98 -2.25 119.26 119.81 1rf6 h ALA 305 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1rf6 h ALA 305 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1rf6 h ALA 305 CO 0.00 -0.02 -0.67 1.25 0.00 0.00 0.00 179.25 179.81 1rf6 h LEU 306 N 0.00 0.11 -0.23 0.00 5.85 -1.92 -3.36 115.31 115.76 1rf6 h LEU 306 Ca 0.00 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.70 1rf6 h LEU 306 Cb 0.07 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 1rf6 h LEU 306 CO 0.00 0.75 -0.41 0.40 -0.34 0.00 0.00 178.44 178.83 1rf6 h ILE 307 N 0.06 0.15 0.00 4.05 1.08 -1.55 -1.08 117.51 120.23 1rf6 h ILE 307 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1rf6 h ILE 307 Cb 1.19 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 1rf6 h ILE 307 CO 0.09 0.00 0.00 1.55 -0.69 0.00 0.00 178.15 179.10 1rf6 h PRO 308 N -0.42 0.00 0.00 2.37 0.13 -1.80 0.17 132.00 132.45 1rf6 h PRO 308 Ca 0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1rf6 h PRO 308 Cb 0.60 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 1rf6 h PRO 308 CO -0.46 0.00 -0.14 0.00 -0.23 0.00 0.00 178.00 177.18 1rf6 h ARG 309 N 0.00 0.00 0.00 0.86 3.08 -1.39 -3.34 114.38 113.59 1rf6 h ARG 309 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1rf6 h ARG 309 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1rf6 h ARG 309 CO 0.00 0.03 -0.38 1.47 -1.07 0.00 0.00 179.97 180.02 1rf6 n LEU 310 N -3.07 0.94 -4.77 3.04 -0.00 -0.85 -1.96 117.00 110.34 1rf6 n LEU 310 Ca 0.03 -1.86 -0.40 0.00 -0.00 0.00 0.00 56.01 53.78 1rf6 n LEU 310 Cb 0.55 -0.16 -0.02 0.00 -0.00 0.00 0.00 43.42 43.79 1rf6 n LEU 310 CO 0.35 0.46 0.95 -0.51 -0.00 0.00 0.00 177.39 178.64 1rf6 s ILE 311 N -1.06 2.79 0.00 1.47 1.10 0.54 -1.11 121.20 124.93 1rf6 s ILE 311 Ca 0.14 0.77 0.00 0.00 -0.51 0.00 0.00 60.65 61.05 1rf6 s ILE 311 Cb 0.13 -3.48 0.00 0.00 0.15 0.00 0.00 42.46 39.27 1rf6 s ILE 311 CO -0.01 0.16 0.00 0.47 -2.11 0.00 0.00 174.94 173.45 1rf6 n ASP 312 N 0.61 0.00 -0.10 4.50 9.92 -1.26 -4.79 116.55 125.43 1rf6 n ASP 312 Ca 0.01 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.39 1rf6 n ASP 312 Cb 0.43 0.00 0.22 0.00 -0.64 0.00 0.00 41.12 41.13 1rf6 n ASP 312 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1rf6 n GLU 313 N -0.15 0.30 -0.35 -1.24 4.71 -0.27 -4.32 120.64 119.31 1rf6 n GLU 313 Ca 0.00 -0.19 0.04 0.00 -0.01 0.00 0.00 57.16 57.00 1rf6 n GLU 313 Cb 0.00 -1.50 0.19 0.00 -1.01 0.00 0.00 31.44 29.13 1rf6 n GLU 313 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1rf6 h LEU 314 N 0.47 0.95 -0.22 -4.62 -0.00 -1.85 0.62 115.31 110.65 1rf6 h LEU 314 Ca 0.00 0.03 0.03 0.00 -0.00 0.00 0.00 57.88 57.94 1rf6 h LEU 314 Cb 0.52 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.98 1rf6 h LEU 314 CO 0.00 0.57 0.03 -0.65 -0.00 0.00 0.00 178.44 178.38 1rf6 h PRO 315 N 1.06 0.11 -0.07 1.13 0.11 -1.92 0.20 132.00 132.61 1rf6 h PRO 315 Ca 0.45 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.41 1rf6 h PRO 315 Cb 0.30 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1rf6 h PRO 315 CO -0.21 0.07 -0.60 -0.84 -0.21 0.00 0.00 178.00 176.21 1rf6 h ILE 316 N 0.11 1.38 0.00 4.15 3.07 -1.72 -2.65 117.51 121.85 1rf6 h ILE 316 Ca 0.10 -1.97 -0.07 0.00 1.55 0.00 0.00 64.86 64.48 1rf6 h ILE 316 Cb 0.11 1.99 -0.01 0.00 -0.27 0.00 0.00 36.82 38.64 1rf6 h ILE 316 CO -0.15 0.58 -0.33 0.40 -1.05 0.00 0.00 178.15 177.60 1rf6 h ILE 317 N 0.18 1.01 -0.66 0.16 2.04 -0.51 -1.18 117.51 118.57 1rf6 h ILE 317 Ca -0.01 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 64.58 1rf6 h ILE 317 Cb 1.10 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.86 1rf6 h ILE 317 CO 0.09 0.32 0.22 0.00 0.00 0.00 0.00 178.15 178.79 1rf6 h ALA 318 N 1.67 0.86 -0.35 1.87 0.00 -0.25 0.10 119.26 123.16 1rf6 h ALA 318 Ca -0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1rf6 h ALA 318 Cb 0.68 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1rf6 h ALA 318 CO 0.04 0.52 -0.01 1.25 0.00 0.00 0.00 179.25 181.05 1rf6 h LEU 319 N 0.95 0.62 -0.73 0.00 6.46 -1.30 -2.27 115.31 119.05 1rf6 h LEU 319 Ca 0.21 -0.32 0.06 0.00 -0.12 0.00 0.00 57.88 57.72 1rf6 h LEU 319 Cb 0.27 -0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 39.98 1rf6 h LEU 319 CO -0.01 0.79 0.42 0.25 -0.62 0.00 0.00 178.44 179.27 1rf6 h LEU 320 N 0.44 0.63 -1.47 2.25 5.85 -0.76 -1.29 115.31 120.96 1rf6 h LEU 320 Ca 0.10 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1rf6 h LEU 320 Cb 0.48 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1rf6 h LEU 320 CO 0.02 0.40 -0.16 0.00 -0.34 0.00 0.00 178.44 178.36 1rf6 h ALA 321 N 1.37 1.57 0.00 1.25 0.00 -0.58 -1.75 119.26 121.12 1rf6 h ALA 321 Ca 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1rf6 h ALA 321 Cb 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1rf6 h ALA 321 CO -0.19 0.31 -0.04 1.15 0.00 0.00 0.00 179.25 180.49 1rf6 h THR 322 N 0.14 0.46 -0.02 0.00 2.02 -0.64 -1.79 112.91 113.08 1rf6 h THR 322 Ca 0.03 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1rf6 h THR 322 Cb 0.37 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1rf6 h THR 322 CO 0.02 0.04 -0.24 0.00 0.37 0.00 0.00 175.52 175.71 1rf6 n GLN 323 N -3.65 1.63 -3.25 6.66 1.13 -0.67 0.90 117.38 120.13 1rf6 n GLN 323 Ca -0.02 -1.30 -0.33 0.00 -1.94 0.00 0.00 57.00 53.41 1rf6 n GLN 323 Cb 0.14 -1.47 -0.06 0.00 0.11 0.00 0.00 30.24 28.96 1rf6 n GLN 323 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rf6 s ALA 324 N -2.26 3.43 -0.12 -1.58 0.00 -0.67 -4.40 121.76 116.16 1rf6 s ALA 324 Ca 0.24 -0.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.83 1rf6 s ALA 324 Cb 0.19 -2.63 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 1rf6 s ALA 324 CO 0.45 0.40 0.98 -1.14 0.00 0.00 0.00 175.76 176.45 1rf6 s GLN 325 N -2.83 4.40 0.01 0.00 2.00 0.61 -1.19 119.66 122.66 1rf6 s GLN 325 Ca 0.50 1.33 0.00 0.00 -2.00 0.00 0.00 55.36 55.19 1rf6 s GLN 325 Cb -0.11 -3.55 0.00 0.00 0.80 0.00 0.00 33.01 30.15 1rf6 s GLN 325 CO 0.19 -0.33 0.00 0.41 -0.50 0.00 0.00 175.29 175.06 1rf6 n GLY 326 N 3.16 -1.74 3.87 2.59 0.00 -1.26 -1.43 105.19 110.38 1rf6 n GLY 326 Ca 0.08 -2.04 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 1rf6 n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf6 s VAL 327 N 0.00 5.49 -0.08 1.61 1.01 -1.26 0.19 120.40 127.35 1rf6 s VAL 327 Ca 0.00 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.25 1rf6 s VAL 327 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1rf6 s VAL 327 CO 0.00 0.61 -0.21 0.28 0.00 0.00 0.00 175.10 175.78 1rf6 s THR 328 N -0.97 1.78 -0.09 3.92 -1.32 0.72 -3.52 115.64 116.16 1rf6 s THR 328 Ca 0.15 -0.87 0.01 0.00 -1.21 0.00 0.00 61.69 59.77 1rf6 s THR 328 Cb -0.12 -1.55 -0.02 0.00 -1.51 0.00 0.00 72.50 69.30 1rf6 s THR 328 CO 0.04 0.50 -0.13 -0.69 -2.21 0.00 0.00 174.62 172.13 1rf6 s VAL 329 N 0.33 3.15 -0.17 5.08 1.01 -0.85 -0.84 120.40 128.12 1rf6 s VAL 329 Ca -0.15 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1rf6 s VAL 329 Cb -0.16 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.95 1rf6 s VAL 329 CO 0.07 0.56 -0.18 -0.63 0.00 0.00 0.00 175.10 174.91 1rf6 s ILE 330 N -0.23 1.90 0.23 2.22 1.01 -0.32 -0.36 121.20 125.65 1rf6 s ILE 330 Ca 0.01 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 1rf6 s ILE 330 Cb -0.13 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 1rf6 s ILE 330 CO 0.03 0.51 0.25 -1.59 0.00 0.00 0.00 174.94 174.14 1rf6 s LYS 331 N 1.32 1.35 -0.82 2.79 -2.85 -0.83 -1.58 119.74 119.13 1rf6 s LYS 331 Ca 0.04 -1.55 0.00 0.00 -1.00 0.00 0.00 55.97 53.46 1rf6 s LYS 331 Cb -0.13 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 1rf6 s LYS 331 CO -0.12 -0.49 0.00 -0.25 0.10 0.00 0.00 175.35 174.59 1rf6 n ASP 332 N -0.41 -4.62 -2.05 0.03 10.43 -0.85 -4.27 116.55 114.83 1rf6 n ASP 332 Ca 0.01 0.19 -0.26 0.00 2.57 0.00 0.00 54.79 57.31 1rf6 n ASP 332 Cb 0.64 -2.80 0.05 0.00 1.84 0.00 0.00 41.12 40.86 1rf6 n ASP 332 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1rf6 n ALA 333 N 1.14 5.37 0.29 2.24 0.00 -0.30 -4.72 120.51 124.52 1rf6 n ALA 333 Ca -0.08 -3.65 0.16 0.00 0.00 0.00 0.00 53.44 49.87 1rf6 n ALA 333 Cb 0.37 -0.79 0.75 0.00 0.00 0.00 0.00 19.45 19.78 1rf6 n ALA 333 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1rf6 h GLU 334 N 2.03 0.00 0.00 0.00 9.09 -1.83 -2.23 114.58 121.64 1rf6 h GLU 334 Ca 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.83 1rf6 h GLU 334 Cb 1.32 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1rf6 h GLU 334 CO 0.98 0.00 -0.03 0.93 0.05 0.00 0.00 179.01 180.95 1rf6 h GLU 335 N 0.00 0.00 -0.03 1.06 4.39 -1.93 -2.44 114.58 115.63 1rf6 h GLU 335 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1rf6 h GLU 335 Cb 0.18 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1rf6 h GLU 335 CO 0.00 0.03 0.02 -0.07 -1.16 0.00 0.00 179.01 177.83 1rf6 h LEU 336 N 0.00 0.00 -1.67 1.33 3.38 -1.80 -2.56 115.31 113.99 1rf6 h LEU 336 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1rf6 h LEU 336 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1rf6 h LEU 336 CO 0.00 0.00 -0.18 0.11 0.09 0.00 0.00 178.44 178.46 1rf6 h LYS 337 N 0.00 0.00 -0.63 1.13 1.57 -1.67 -1.61 116.57 115.37 1rf6 h LYS 337 Ca 0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1rf6 h LYS 337 Cb 0.06 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 1rf6 h LYS 337 CO -0.00 0.18 0.12 1.33 -0.57 0.00 0.00 179.45 180.51 1rf6 n VAL 338 N -4.22 2.82 -1.26 0.50 0.24 -0.96 -3.97 118.33 111.48 1rf6 n VAL 338 Ca -0.02 -1.58 0.00 0.00 -2.04 0.00 0.00 64.34 60.70 1rf6 n VAL 338 Cb 0.25 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 1rf6 n VAL 338 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1rf6 n LYS 339 N 0.16 0.69 -0.50 7.34 4.76 -1.15 -4.81 118.16 124.65 1rf6 n LYS 339 Ca 0.34 0.00 0.43 0.00 -2.87 0.00 0.00 58.31 56.20 1rf6 n LYS 339 Cb 1.27 0.00 0.77 0.00 -1.84 0.00 0.00 35.03 35.23 1rf6 n LYS 339 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1rf6 h GLU 340 N 0.00 0.02 -3.89 1.97 3.07 -1.91 -3.40 114.58 110.44 1rf6 h GLU 340 Ca 0.00 -0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 1rf6 h GLU 340 Cb 0.00 -0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 27.80 1rf6 h GLU 340 CO 0.00 0.01 -0.24 0.95 -1.40 0.00 0.00 179.01 178.33 1rf6 s THR 341 N -4.96 0.00 -0.85 1.13 -4.23 -1.26 -4.77 115.64 100.71 1rf6 s THR 341 Ca -0.05 -1.56 -0.25 0.00 -1.18 0.00 0.00 61.69 58.65 1rf6 s THR 341 Cb 0.25 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.80 1rf6 s THR 341 CO 0.85 0.00 1.62 -0.62 -0.54 0.00 0.00 174.62 175.92 1rf6 s ASP 342 N -3.06 5.84 0.04 3.99 -1.08 -1.25 -4.57 116.67 116.57 1rf6 s ASP 342 Ca 0.27 -0.68 0.09 0.00 -0.52 0.00 0.00 52.55 51.71 1rf6 s ASP 342 Cb 0.01 -2.56 0.39 0.00 -1.46 0.00 0.00 42.92 39.31 1rf6 s ASP 342 CO 0.10 -2.07 1.28 0.54 0.52 0.00 0.00 175.17 175.54 1rf6 n ARG 343 N 9.05 0.02 -0.07 4.34 1.74 -0.61 -0.80 116.66 130.33 1rf6 n ARG 343 Ca 0.25 0.40 -0.11 0.00 -0.77 0.00 0.00 57.85 57.63 1rf6 n ARG 343 Cb 0.50 -1.56 -0.09 0.00 -1.02 0.00 0.00 32.46 30.29 1rf6 n ARG 343 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1rf6 h ILE 344 N 0.00 1.20 -0.22 0.55 2.04 -1.87 -3.08 117.51 116.13 1rf6 h ILE 344 Ca 0.00 -1.95 -0.08 0.00 1.00 0.00 0.00 64.86 63.83 1rf6 h ILE 344 Cb 0.12 2.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1rf6 h ILE 344 CO 0.00 0.41 -0.18 -0.61 0.00 0.00 0.00 178.15 177.77 1rf6 h GLN 345 N -1.00 0.51 -0.55 2.37 5.75 -1.84 -2.29 115.11 118.05 1rf6 h GLN 345 Ca -0.03 -0.26 -0.11 0.00 -0.15 0.00 0.00 58.65 58.10 1rf6 h GLN 345 Cb 0.76 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.30 1rf6 h GLN 345 CO -0.02 0.83 -0.10 0.28 -2.65 0.00 0.00 178.83 177.17 1rf6 h VAL 346 N 0.20 1.27 -0.27 2.39 2.07 -1.15 -0.51 116.25 120.25 1rf6 h VAL 346 Ca 0.04 -1.26 -0.16 0.00 0.82 0.00 0.00 66.70 66.14 1rf6 h VAL 346 Cb 0.72 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1rf6 h VAL 346 CO 0.05 0.45 -0.44 0.58 0.02 0.00 0.00 177.57 178.22 1rf6 h VAL 347 N 0.92 1.29 0.08 2.57 2.07 -1.61 0.35 116.25 121.92 1rf6 h VAL 347 Ca 0.14 -1.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 1rf6 h VAL 347 Cb 0.67 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1rf6 h VAL 347 CO 0.05 0.53 -0.04 0.00 0.02 0.00 0.00 177.57 178.13 1rf6 h ALA 348 N 0.67 -0.10 -0.12 1.67 0.00 -1.34 -1.11 119.26 118.93 1rf6 h ALA 348 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rf6 h ALA 348 Cb 1.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1rf6 h ALA 348 CO 0.10 -0.55 0.05 -0.44 0.00 0.00 0.00 179.25 178.41 1rf6 h ASP 349 N -0.12 0.16 0.15 0.00 3.32 -1.08 0.09 116.42 118.94 1rf6 h ASP 349 Ca -0.01 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 56.90 1rf6 h ASP 349 Cb 0.10 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1rf6 h ASP 349 CO 0.02 0.28 -0.38 0.00 -1.72 0.00 0.00 179.24 177.43 1rf6 h ALA 350 N 0.89 -0.69 -0.23 3.45 0.00 -0.84 -1.40 119.26 120.44 1rf6 h ALA 350 Ca 0.04 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1rf6 h ALA 350 Cb 0.17 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1rf6 h ALA 350 CO -0.00 -0.95 -0.38 -0.07 0.00 0.00 0.00 179.25 177.85 1rf6 h LEU 351 N -0.63 0.55 -1.32 0.00 3.38 -1.23 -2.94 115.31 113.11 1rf6 h LEU 351 Ca 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1rf6 h LEU 351 Cb 0.65 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1rf6 h LEU 351 CO -0.21 0.88 0.13 0.78 0.09 0.00 0.00 178.44 180.11 1rf6 h ASN 352 N 0.44 0.54 0.34 -0.43 2.35 -0.75 0.37 115.58 118.43 1rf6 h ASN 352 Ca 0.04 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1rf6 h ASN 352 Cb 0.86 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1rf6 h ASN 352 CO 0.07 0.52 0.00 -1.54 -1.65 0.00 0.00 177.43 174.83 1rf6 n SER 353 N -4.35 0.00 -0.05 5.81 3.41 -0.55 -3.28 113.62 114.61 1rf6 n SER 353 Ca 0.03 -0.04 -0.07 0.00 -0.26 0.00 0.00 58.87 58.52 1rf6 n SER 353 Cb 0.17 -0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 1rf6 n SER 353 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1rf6 n MET 354 N -1.26 0.23 0.00 4.33 2.81 0.24 -4.61 117.12 118.86 1rf6 n MET 354 Ca 0.10 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1rf6 n MET 354 Cb 0.15 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 1rf6 n MET 354 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf6 n GLY 355 N 2.94 0.01 5.44 3.03 0.00 0.10 0.25 105.19 116.97 1rf6 n GLY 355 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1rf6 n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf6 n ALA 356 N -1.19 0.00 -2.46 4.61 0.00 -0.81 -4.75 120.51 115.91 1rf6 n ALA 356 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rf6 n ALA 356 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1rf6 n ALA 356 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rf6 n ASP 357 N 0.56 -1.96 -4.03 0.00 8.00 -1.26 -4.85 116.55 113.00 1rf6 n ASP 357 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 1rf6 n ASP 357 Cb 0.00 -0.49 -0.17 0.00 -0.02 0.00 0.00 41.12 40.44 1rf6 n ASP 357 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rf6 s ILE 358 N -2.97 1.40 -0.28 0.53 1.01 -1.26 -0.50 121.20 119.13 1rf6 s ILE 358 Ca 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.03 1rf6 s ILE 358 Cb 0.00 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 41.20 1rf6 s ILE 358 CO 0.00 0.42 0.02 -0.89 0.00 0.00 0.00 174.94 174.49 1rf6 s THR 359 N 1.05 3.52 0.43 2.92 2.01 0.84 -4.93 115.64 121.48 1rf6 s THR 359 Ca -0.06 -0.83 -0.26 0.00 0.31 0.00 0.00 61.69 60.86 1rf6 s THR 359 Cb -0.15 -2.81 -0.08 0.00 0.01 0.00 0.00 72.50 69.47 1rf6 s THR 359 CO -0.02 0.13 1.37 -2.84 -0.69 0.00 0.00 174.62 172.56 1rf6 s PRO 360 N 1.43 3.80 0.27 4.92 0.02 -1.26 -1.30 135.00 142.88 1rf6 s PRO 360 Ca 0.02 2.29 0.02 0.00 0.02 0.00 0.00 61.00 63.34 1rf6 s PRO 360 Cb -0.17 -2.69 -0.05 0.00 0.02 0.00 0.00 34.50 31.61 1rf6 s PRO 360 CO -0.00 -0.67 0.08 0.99 -0.33 0.00 0.00 177.00 177.07 1rf6 s THR 361 N -1.24 0.72 0.49 0.99 2.01 -0.35 -4.89 115.64 113.37 1rf6 s THR 361 Ca 0.59 -2.00 0.17 0.00 0.31 0.00 0.00 61.69 60.76 1rf6 s THR 361 Cb -0.41 -2.65 0.24 0.00 0.01 0.00 0.00 72.50 69.68 1rf6 s THR 361 CO 0.52 -0.02 2.08 0.00 -0.69 0.00 0.00 174.62 176.51 1rf6 h ALA 362 N 2.33 1.77 -0.10 7.40 0.00 -1.97 -3.18 119.26 125.51 1rf6 h ALA 362 Ca -0.39 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 1rf6 h ALA 362 Cb 1.24 -0.02 -0.27 0.00 0.00 0.00 0.00 17.79 18.75 1rf6 h ALA 362 CO 0.63 0.12 -0.86 -0.40 0.00 0.00 0.00 179.25 178.74 1rf6 n ASP 363 N -4.31 1.55 0.00 0.00 3.85 -1.26 -4.67 116.55 111.71 1rf6 n ASP 363 Ca -0.03 -2.73 0.00 0.00 -0.71 0.00 0.00 54.79 51.32 1rf6 n ASP 363 Cb 0.17 -0.40 0.00 0.00 -1.35 0.00 0.00 41.12 39.55 1rf6 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1rf6 n GLY 364 N -0.22 -0.40 3.48 6.12 0.00 -1.20 -1.15 105.19 111.82 1rf6 n GLY 364 Ca 0.13 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 1rf6 n GLY 364 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1rf6 s MET 365 N -1.61 1.00 -0.13 1.61 0.23 -0.62 -1.21 119.30 118.57 1rf6 s MET 365 Ca 0.00 -0.26 0.03 0.00 -1.03 0.00 0.00 55.69 54.43 1rf6 s MET 365 Cb 0.00 0.46 0.01 0.00 -1.53 0.00 0.00 34.83 33.77 1rf6 s MET 365 CO 0.00 -0.42 -0.22 0.42 -2.03 0.00 0.00 175.02 172.77 1rf6 s ILE 366 N -2.96 2.10 -0.16 3.16 1.01 -0.42 -1.17 121.20 122.75 1rf6 s ILE 366 Ca 0.01 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.69 1rf6 s ILE 366 Cb -0.01 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.65 1rf6 s ILE 366 CO -0.07 0.55 -0.19 -0.63 0.00 0.00 0.00 174.94 174.59 1rf6 s ILE 367 N 0.63 2.22 -0.36 2.92 1.01 -0.02 -0.11 121.20 127.49 1rf6 s ILE 367 Ca -0.11 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 59.46 1rf6 s ILE 367 Cb -0.16 -1.92 -0.00 0.00 0.01 0.00 0.00 42.46 40.39 1rf6 s ILE 367 CO 0.02 0.53 0.41 -0.75 0.00 0.00 0.00 174.94 175.16 1rf6 s LYS 368 N 1.00 3.45 0.62 2.79 2.20 0.35 -0.20 119.74 129.95 1rf6 s LYS 368 Ca -0.02 -0.46 -0.11 0.00 -0.36 0.00 0.00 55.97 55.02 1rf6 s LYS 368 Cb -0.15 -3.85 -0.04 0.00 -1.51 0.00 0.00 37.83 32.29 1rf6 s LYS 368 CO -0.05 -0.64 1.03 0.20 -0.36 0.00 0.00 175.35 175.53 1rf6 s GLY 369 N 1.76 1.66 0.00 5.54 0.00 0.49 -4.74 107.32 112.03 1rf6 s GLY 369 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1rf6 s GLY 369 CO 0.13 0.19 0.00 1.17 0.00 0.00 0.00 173.10 174.58 1rf6 n LYS 370 N -2.77 0.00 -4.27 2.90 3.00 0.26 -3.98 118.16 113.30 1rf6 n LYS 370 Ca 0.06 0.23 -0.35 0.00 -0.00 0.00 0.00 58.31 58.26 1rf6 n LYS 370 Cb 0.54 -1.02 -0.10 0.00 0.00 0.00 0.00 35.03 34.45 1rf6 n LYS 370 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1rf6 s SER 371 N -2.22 5.30 0.05 3.14 0.01 -0.52 -5.01 113.70 114.46 1rf6 s SER 371 Ca 0.00 0.09 -0.25 0.00 1.31 0.00 0.00 55.95 57.11 1rf6 s SER 371 Cb 0.00 -1.68 -0.17 0.00 0.21 0.00 0.00 66.02 64.39 1rf6 s SER 371 CO 0.00 0.29 1.57 0.00 0.41 0.00 0.00 173.24 175.51 1rf6 h ALA 372 N 5.79 -0.13 0.00 1.44 0.00 -1.90 -3.45 119.26 121.01 1rf6 h ALA 372 Ca -0.44 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1rf6 h ALA 372 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1rf6 h ALA 372 CO 0.60 -0.50 0.00 1.28 0.00 0.00 0.00 179.25 180.63 1rf6 n LEU 373 N -5.08 -0.60 -4.36 0.00 4.77 -1.26 -4.71 117.00 105.77 1rf6 n LEU 373 Ca -0.08 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.68 1rf6 n LEU 373 Cb 0.14 0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 41.63 1rf6 n LEU 373 CO 0.33 0.00 -0.14 -1.38 -1.33 0.00 0.00 177.39 174.88 1rf6 s HIS 374 N -1.24 1.76 0.77 -1.77 -3.43 0.69 -4.22 115.29 107.85 1rf6 s HIS 374 Ca 0.00 -1.55 -0.11 0.00 -0.80 0.00 0.00 55.06 52.60 1rf6 s HIS 374 Cb 0.00 -0.86 0.06 0.00 -1.43 0.00 0.00 32.58 30.35 1rf6 s HIS 374 CO 0.00 -0.69 1.10 0.20 -2.00 0.00 0.00 174.74 173.36 1rf6 s GLY 375 N -3.45 1.77 0.02 -1.38 0.00 -1.26 -4.58 107.32 98.45 1rf6 s GLY 375 Ca 0.35 0.37 -0.27 0.00 0.00 0.00 0.00 44.72 45.16 1rf6 s GLY 375 CO 0.23 0.73 1.24 0.00 0.00 0.00 0.00 173.10 175.29 1rf6 s ALA 376 N -2.76 -2.26 -0.21 3.20 0.00 -0.68 -4.78 121.76 114.28 1rf6 s ALA 376 Ca 0.63 0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.66 1rf6 s ALA 376 Cb -0.19 0.79 0.04 0.00 0.00 0.00 0.00 23.12 23.76 1rf6 s ALA 376 CO 0.54 -1.12 -0.15 0.50 0.00 0.00 0.00 175.76 175.53 1rf6 s ARG 377 N -2.12 2.49 -0.07 0.00 3.52 -1.26 -1.11 118.95 120.41 1rf6 s ARG 377 Ca 0.26 -0.97 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 1rf6 s ARG 377 Cb -0.00 -2.60 -0.03 0.00 -1.56 0.00 0.00 34.95 30.77 1rf6 s ARG 377 CO 0.00 -0.37 -0.10 0.08 -0.81 0.00 0.00 175.30 174.10 1rf6 s VAL 378 N 1.27 3.43 -0.16 7.11 1.01 0.63 -4.97 120.40 128.73 1rf6 s VAL 378 Ca -0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1rf6 s VAL 378 Cb -0.16 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1rf6 s VAL 378 CO -0.09 0.59 -0.04 0.21 0.00 0.00 0.00 175.10 175.77 1rf6 s ASN 379 N -0.67 4.80 0.40 3.32 3.04 -1.26 -0.76 114.94 123.81 1rf6 s ASN 379 Ca 0.10 -0.13 0.14 0.00 0.04 0.00 0.00 52.86 53.01 1rf6 s ASN 379 Cb -0.11 -1.78 0.84 0.00 -1.54 0.00 0.00 41.25 38.66 1rf6 s ASN 379 CO 0.01 0.17 1.88 0.74 -3.04 0.00 0.00 177.10 176.86 1rf6 h THR 380 N 5.15 1.17 -3.05 -5.21 2.02 -1.69 -3.47 112.91 107.84 1rf6 h THR 380 Ca -0.31 -1.07 -0.32 0.00 0.77 0.00 0.00 66.41 65.48 1rf6 h THR 380 Cb 1.19 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 69.15 1rf6 h THR 380 CO 0.63 0.30 -0.39 0.49 0.37 0.00 0.00 175.52 176.92 1rf6 n PHE 381 N -4.10 -1.05 -1.03 3.16 3.01 -1.26 -1.05 117.46 115.15 1rf6 n PHE 381 Ca -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.43 1rf6 n PHE 381 Cb 0.36 -3.23 -0.00 0.00 -0.01 0.00 0.00 39.48 36.59 1rf6 n PHE 381 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rf6 n GLY 382 N -0.79 0.48 3.19 1.37 0.00 -1.26 -4.85 105.19 103.33 1rf6 n GLY 382 Ca -0.19 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 1rf6 n GLY 382 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rf6 s ASP 383 N -2.77 5.12 0.23 1.61 -1.08 -0.21 -4.93 116.67 114.64 1rf6 s ASP 383 Ca 0.00 -1.41 -0.08 0.00 -0.52 0.00 0.00 52.55 50.54 1rf6 s ASP 383 Cb 0.00 -1.79 0.37 0.00 -1.46 0.00 0.00 42.92 40.04 1rf6 s ASP 383 CO 0.00 -0.35 1.67 1.12 0.52 0.00 0.00 175.17 178.12 1rf6 h HIS 384 N 8.09 0.06 -0.14 -5.34 2.07 -1.87 -1.78 115.15 116.24 1rf6 h HIS 384 Ca -0.20 0.05 -0.05 0.00 -2.85 0.00 0.00 60.37 57.31 1rf6 h HIS 384 Cb 1.06 0.08 -0.01 0.00 2.57 0.00 0.00 27.41 31.11 1rf6 h HIS 384 CO 0.60 -0.15 -0.15 0.00 -3.07 0.00 0.00 177.93 175.15 1rf6 h ARG 385 N 0.16 0.22 -0.81 5.12 3.08 -1.94 -1.44 114.38 118.77 1rf6 h ARG 385 Ca 0.37 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.32 1rf6 h ARG 385 Cb 0.61 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 1rf6 h ARG 385 CO -0.54 0.38 0.36 0.82 -1.07 0.00 0.00 179.97 179.91 1rf6 h ILE 386 N 0.21 1.26 0.07 2.04 1.08 -1.65 0.97 117.51 121.49 1rf6 h ILE 386 Ca 0.04 -0.78 -0.00 0.00 -0.39 0.00 0.00 64.86 63.73 1rf6 h ILE 386 Cb 0.40 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 1rf6 h ILE 386 CO 0.02 0.32 -0.03 1.23 -0.69 0.00 0.00 178.15 179.01 1rf6 h GLY 387 N 1.17 -0.10 1.78 5.37 0.00 -1.12 -1.81 103.07 108.36 1rf6 h GLY 387 Ca 0.27 0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.58 1rf6 h GLY 387 CO -0.03 -0.04 -0.19 -0.33 0.00 0.00 0.00 176.54 175.96 1rf6 h MET 388 N -0.38 0.27 -0.06 4.80 2.86 -1.19 -0.55 114.93 120.67 1rf6 h MET 388 Ca -0.01 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1rf6 h MET 388 Cb 0.33 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1rf6 h MET 388 CO 0.02 0.45 0.03 1.98 1.06 0.00 0.00 176.91 180.45 1rf6 h MET 389 N 0.25 0.09 -0.88 1.72 -1.53 -0.71 -1.43 114.93 112.43 1rf6 h MET 389 Ca 0.05 -0.01 0.01 0.00 -3.44 0.00 0.00 59.70 56.30 1rf6 h MET 389 Cb 0.48 -0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 31.47 1rf6 h MET 389 CO 0.03 0.18 0.57 1.15 0.14 0.00 0.00 176.91 178.98 1rf6 h THR 390 N -0.02 1.23 -0.54 -0.77 2.02 -0.97 -0.03 112.91 113.83 1rf6 h THR 390 Ca 0.02 -0.44 0.06 0.00 0.77 0.00 0.00 66.41 66.82 1rf6 h THR 390 Cb 0.12 -0.05 -0.06 0.00 -1.74 0.00 0.00 68.15 66.42 1rf6 h THR 390 CO -0.00 0.23 0.23 0.00 0.37 0.00 0.00 175.52 176.35 1rf6 h ALA 391 N 1.31 0.68 -0.12 6.16 0.00 -0.70 0.26 119.26 126.86 1rf6 h ALA 391 Ca 0.32 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 55.10 1rf6 h ALA 391 Cb -0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1rf6 h ALA 391 CO -0.07 -0.15 -0.67 0.82 0.00 0.00 0.00 179.25 179.18 1rf6 h ILE 392 N 0.44 1.35 -0.61 0.00 1.08 -0.75 -3.16 117.51 115.86 1rf6 h ILE 392 Ca 0.25 -2.00 -0.03 0.00 -0.39 0.00 0.00 64.86 62.69 1rf6 h ILE 392 Cb 0.23 1.98 -0.03 0.00 -3.07 0.00 0.00 36.82 35.94 1rf6 h ILE 392 CO -0.22 0.61 0.26 0.00 -0.69 0.00 0.00 178.15 178.11 1rf6 h ALA 393 N 0.90 0.79 -0.26 1.87 0.00 -0.24 -2.42 119.26 119.91 1rf6 h ALA 393 Ca -0.02 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1rf6 h ALA 393 Cb 1.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1rf6 h ALA 393 CO 0.12 0.39 0.26 0.00 0.00 0.00 0.00 179.25 180.03 1rf6 h ALA 394 N 1.10 1.97 0.00 0.00 0.00 -0.48 0.02 119.26 121.87 1rf6 h ALA 394 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1rf6 h ALA 394 Cb 0.18 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1rf6 h ALA 394 CO -0.02 -0.40 -0.06 -0.07 0.00 0.00 0.00 179.25 178.71 1rf6 h LEU 395 N 0.00 0.00 0.00 0.00 3.38 -1.46 -2.38 115.31 114.85 1rf6 h LEU 395 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1rf6 h LEU 395 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1rf6 h LEU 395 CO -0.00 0.06 -0.74 0.18 0.09 0.00 0.00 178.44 178.03 1rf6 n LEU 396 N -3.57 0.63 -4.66 1.67 4.77 -0.01 -1.38 117.00 114.46 1rf6 n LEU 396 Ca -0.02 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.46 1rf6 n LEU 396 Cb 0.17 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1rf6 n LEU 396 CO 0.27 0.11 1.43 -0.69 -1.33 0.00 0.00 177.39 177.19 1rf6 s VAL 397 N -3.06 3.46 0.11 4.08 1.01 -0.90 -4.81 120.40 120.29 1rf6 s VAL 397 Ca 0.08 0.55 -0.16 0.00 0.00 0.00 0.00 61.98 62.46 1rf6 s VAL 397 Cb 0.16 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1rf6 s VAL 397 CO 0.76 -0.07 1.51 0.00 0.00 0.00 0.00 175.10 177.30 1rf6 h ALA 398 N 9.98 0.46 0.00 5.51 0.00 -1.88 -0.40 119.26 132.94 1rf6 h ALA 398 Ca -0.41 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1rf6 h ALA 398 Cb 1.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1rf6 h ALA 398 CO 0.95 0.30 -0.22 -0.40 0.00 0.00 0.00 179.25 179.89 1rf6 n ASP 399 N -4.43 0.93 -3.10 0.00 5.68 -1.26 -4.69 116.55 109.68 1rf6 n ASP 399 Ca -0.02 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.23 1rf6 n ASP 399 Cb 0.33 0.03 0.03 0.00 -1.14 0.00 0.00 41.12 40.38 1rf6 n ASP 399 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rf6 n GLY 400 N 1.69 -2.00 3.01 6.12 0.00 -1.26 -4.99 105.19 107.77 1rf6 n GLY 400 Ca 0.00 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 1rf6 n GLY 400 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rf6 s GLU 401 N -2.03 1.36 -0.14 1.61 2.56 -1.26 -4.75 118.70 116.05 1rf6 s GLU 401 Ca 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 54.97 54.68 1rf6 s GLU 401 Cb -0.01 -1.19 -0.01 0.00 2.00 0.00 0.00 34.13 34.91 1rf6 s GLU 401 CO 0.07 0.07 -0.12 0.08 -0.56 0.00 0.00 175.26 174.79 1rf6 s VAL 402 N 0.46 3.04 -0.07 3.70 1.01 -1.26 -1.68 120.40 125.60 1rf6 s VAL 402 Ca -0.09 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.28 1rf6 s VAL 402 Cb -0.13 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1rf6 s VAL 402 CO 0.02 0.51 -0.23 -1.61 0.00 0.00 0.00 175.10 173.79 1rf6 s GLU 403 N 0.53 2.72 -0.16 2.72 2.02 -0.26 -1.43 118.70 124.84 1rf6 s GLU 403 Ca -0.08 -0.87 -0.01 0.00 0.02 0.00 0.00 54.97 54.03 1rf6 s GLU 403 Cb -0.16 -2.24 -0.01 0.00 0.10 0.00 0.00 34.13 31.83 1rf6 s GLU 403 CO 0.04 0.34 -0.12 -1.17 0.02 0.00 0.00 175.26 174.36 1rf6 s LEU 404 N -0.05 2.64 0.17 1.80 0.20 -0.22 -0.27 118.68 122.95 1rf6 s LEU 404 Ca -0.07 -0.40 0.04 0.00 0.69 0.00 0.00 54.13 54.39 1rf6 s LEU 404 Cb -0.15 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 43.96 1rf6 s LEU 404 CO 0.05 0.09 0.22 -1.81 -0.29 0.00 0.00 176.35 174.62 1rf6 s ASP 405 N 0.78 5.96 -1.48 3.68 1.01 0.06 -0.28 116.67 126.39 1rf6 s ASP 405 Ca -0.05 0.02 -0.10 0.00 0.71 0.00 0.00 52.55 53.13 1rf6 s ASP 405 Cb -0.15 -1.69 0.06 0.00 1.01 0.00 0.00 42.92 42.16 1rf6 s ASP 405 CO 0.01 0.05 0.88 0.54 0.21 0.00 0.00 175.17 176.86 1rf6 n ARG 406 N -0.56 -5.20 0.27 8.23 1.74 -1.26 -2.26 116.66 117.61 1rf6 n ARG 406 Ca -0.08 0.59 0.15 0.00 -0.77 0.00 0.00 57.85 57.74 1rf6 n ARG 406 Cb 0.55 -5.35 0.69 0.00 -1.02 0.00 0.00 32.46 27.33 1rf6 n ARG 406 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rf6 h ALA 407 N 0.94 1.07 0.00 7.54 0.00 -1.96 -2.98 119.26 123.87 1rf6 h ALA 407 Ca -0.59 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1rf6 h ALA 407 Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1rf6 h ALA 407 CO 0.65 0.11 0.00 1.05 0.00 0.00 0.00 179.25 181.06 1rf6 h GLU 408 N 0.00 0.00 -0.22 0.00 9.09 -1.96 -2.12 114.58 119.38 1rf6 h GLU 408 Ca -0.00 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.47 1rf6 h GLU 408 Cb 0.48 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.57 1rf6 h GLU 408 CO 0.01 0.00 0.16 0.00 0.05 0.00 0.00 179.01 179.23 1rf6 h ALA 409 N 2.01 2.19 -0.37 1.06 0.00 -1.89 -0.69 119.26 121.56 1rf6 h ALA 409 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1rf6 h ALA 409 Cb 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1rf6 h ALA 409 CO 0.00 -0.27 0.28 0.82 0.00 0.00 0.00 179.25 180.08 1rf6 h ILE 410 N 0.00 0.74 0.00 0.00 2.04 -1.61 -0.75 117.51 117.92 1rf6 h ILE 410 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1rf6 h ILE 410 Cb 0.42 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1rf6 h ILE 410 CO -0.00 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.74 1rf6 n ASN 411 N -4.31 0.26 -0.12 1.72 3.02 -0.27 -1.66 115.26 113.92 1rf6 n ASN 411 Ca 0.06 0.61 0.03 0.00 -0.03 0.00 0.00 54.58 55.25 1rf6 n ASN 411 Cb 0.46 -0.65 0.34 0.00 -0.61 0.00 0.00 39.78 39.33 1rf6 n ASN 411 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1rf6 h THR 412 N 0.00 1.12 0.00 3.41 2.02 -1.32 -1.05 112.91 117.10 1rf6 h THR 412 Ca 0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1rf6 h THR 412 Cb 0.08 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1rf6 h THR 412 CO 0.00 0.14 0.00 -1.54 0.37 0.00 0.00 175.52 174.49 1rf6 n SER 413 N -4.45 0.04 -2.89 4.18 3.41 -1.00 -2.34 113.62 110.57 1rf6 n SER 413 Ca 0.06 -0.42 -0.13 0.00 -0.26 0.00 0.00 58.87 58.13 1rf6 n SER 413 Cb 0.08 0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.12 1rf6 n SER 413 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rf6 n TYR 414 N -0.06 -2.16 -0.34 7.33 -0.00 -0.66 -4.75 117.16 116.51 1rf6 n TYR 414 Ca 0.00 -2.49 0.19 0.00 -0.00 0.00 0.00 57.90 55.60 1rf6 n TYR 414 Cb 0.09 0.96 0.41 0.00 -0.00 0.00 0.00 39.34 40.80 1rf6 n TYR 414 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.86 175.51 1rf6 h PRO 415 N 3.54 0.52 -0.47 2.98 0.11 -1.74 -1.23 132.00 135.70 1rf6 h PRO 415 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1rf6 h PRO 415 Cb 1.02 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1rf6 h PRO 415 CO 0.32 0.34 0.00 -1.13 -0.21 0.00 0.00 178.00 177.32 1rf6 n SER 416 N -4.89 2.05 -0.14 -2.05 3.41 -1.26 -4.59 113.62 106.15 1rf6 n SER 416 Ca 0.28 -2.12 -0.13 0.00 -0.26 0.00 0.00 58.87 56.64 1rf6 n SER 416 Cb 0.79 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 64.34 1rf6 n SER 416 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1rf6 h PHE 417 N 1.75 -1.59 0.00 7.33 3.57 -1.61 -0.59 116.94 125.80 1rf6 h PHE 417 Ca 0.00 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1rf6 h PHE 417 Cb 0.63 0.75 -0.00 0.00 2.79 0.00 0.00 35.95 40.12 1rf6 h PHE 417 CO 0.28 -0.48 -0.17 0.74 -2.23 0.00 0.00 178.31 176.46 1rf6 h PHE 418 N -0.37 0.00 -0.28 0.41 0.04 -1.85 0.39 116.94 115.28 1rf6 h PHE 418 Ca 0.09 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.79 1rf6 h PHE 418 Cb 0.59 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 1rf6 h PHE 418 CO -0.71 0.17 -0.13 -0.44 -0.60 0.00 0.00 178.31 176.60 1rf6 h ASP 419 N 0.00 0.61 -0.59 2.17 3.45 -1.60 0.15 116.42 120.62 1rf6 h ASP 419 Ca -0.00 -0.40 -0.06 0.00 0.43 0.00 0.00 57.03 56.99 1rf6 h ASP 419 Cb 0.32 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.90 1rf6 h ASP 419 CO 0.02 0.88 0.12 0.44 -1.57 0.00 0.00 179.24 179.12 1rf6 h ASP 420 N 0.34 0.91 -0.14 6.45 3.32 -0.54 -2.52 116.42 124.23 1rf6 h ASP 420 Ca 0.06 -0.25 0.04 0.00 0.02 0.00 0.00 57.03 56.90 1rf6 h ASP 420 Cb 0.64 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1rf6 h ASP 420 CO 0.04 0.93 -0.11 0.25 -1.72 0.00 0.00 179.24 178.63 1rf6 h LEU 421 N 0.86 -0.35 -1.26 1.55 6.46 -0.76 -2.45 115.31 119.36 1rf6 h LEU 421 Ca 0.18 0.07 0.14 0.00 -0.12 0.00 0.00 57.88 58.15 1rf6 h LEU 421 Cb 0.39 0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 40.43 1rf6 h LEU 421 CO 0.01 -0.15 0.58 -0.33 -0.62 0.00 0.00 178.44 177.93 1rf6 h GLU 422 N -0.12 0.71 0.00 1.25 4.39 -0.65 -1.49 114.58 118.67 1rf6 h GLU 422 Ca 0.09 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1rf6 h GLU 422 Cb 0.25 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1rf6 h GLU 422 CO -0.22 0.47 0.00 -1.13 -1.16 0.00 0.00 179.01 176.97 1rf6 n SER 423 N -4.56 0.42 -0.04 1.42 3.41 -0.93 -3.08 113.62 110.26 1rf6 n SER 423 Ca 0.17 0.60 -0.12 0.00 -0.26 0.00 0.00 58.87 59.26 1rf6 n SER 423 Cb 0.45 -0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 63.56 1rf6 n SER 423 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1rf6 n LEU 424 N -1.96 1.21 0.04 1.04 4.32 -0.57 -3.60 117.00 117.49 1rf6 n LEU 424 Ca 0.03 0.25 0.02 0.00 -0.02 0.00 0.00 56.01 56.29 1rf6 n LEU 424 Cb 0.21 -0.10 0.39 0.00 -1.62 0.00 0.00 43.42 42.29 1rf6 n LEU 424 CO 0.17 0.55 1.02 -0.29 -1.22 0.00 0.00 177.39 177.62 1rf6 h ILE 425 N 0.01 1.15 0.00 -0.08 6.09 -1.48 -2.98 117.51 120.22 1rf6 h ILE 425 Ca -0.39 -0.51 0.00 0.00 -1.37 0.00 0.00 64.86 62.60 1rf6 h ILE 425 Cb 2.06 0.83 0.00 0.00 0.47 0.00 0.00 36.82 40.18 1rf6 h ILE 425 CO 0.06 0.18 0.00 1.41 -3.07 0.00 0.00 178.15 176.73 1rf6 n HIS 426 N -4.37 0.00 -0.41 2.19 8.25 -1.24 -4.90 115.22 114.74 1rf6 n HIS 426 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1rf6 n HIS 426 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1rf6 n HIS 426 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39