#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 4.05 0.36 3.17 2.20 -1.26 -0.50 119.74 127.75 1rf6 s LYS 2 Ca 0.00 0.24 -0.13 0.00 -0.36 0.00 0.00 55.97 55.72 1rf6 s LYS 2 Cb 0.00 -3.66 -0.08 0.00 -1.51 0.00 0.00 37.83 32.59 1rf6 s LYS 2 CO 0.00 -0.33 0.74 -0.51 -0.36 0.00 0.00 175.35 174.89 1rf6 s LEU 3 N 2.24 3.96 0.16 5.43 1.43 -0.56 -5.00 118.68 126.35 1rf6 s LEU 3 Ca 0.19 1.19 -0.31 0.00 -1.03 0.00 0.00 54.13 54.17 1rf6 s LEU 3 Cb -0.16 -4.03 -0.09 0.00 0.03 0.00 0.00 46.19 41.95 1rf6 s LEU 3 CO 0.09 -0.29 1.42 -0.75 0.23 0.00 0.00 176.35 177.06 1rf6 s LYS 4 N -3.38 4.30 0.50 1.70 2.47 -1.26 -4.62 119.74 119.45 1rf6 s LYS 4 Ca 0.52 2.17 0.02 0.00 -1.56 0.00 0.00 55.97 57.12 1rf6 s LYS 4 Cb -0.10 -3.20 -0.02 0.00 -1.46 0.00 0.00 37.83 33.05 1rf6 s LYS 4 CO 0.24 -0.44 0.01 0.95 0.16 0.00 0.00 175.35 176.27 1rf6 s THR 5 N 0.77 1.16 0.00 3.43 -4.23 -1.26 -3.56 115.64 111.95 1rf6 s THR 5 Ca 0.64 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1rf6 s THR 5 Cb -0.39 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1rf6 s THR 5 CO 0.34 0.00 0.00 -3.20 -0.54 0.00 0.00 174.62 171.22 1rf6 n ASN 6 N -1.25 0.00 -1.60 3.99 5.15 0.54 -4.90 115.26 117.18 1rf6 n ASN 6 Ca -0.17 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 1rf6 n ASN 6 Cb 0.67 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.92 1rf6 n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rf6 n ILE 7 N 0.00 -2.17 -0.01 -1.44 0.13 -1.26 -4.46 119.36 110.16 1rf6 n ILE 7 Ca 0.00 0.57 0.10 0.00 -1.10 0.00 0.00 62.75 62.31 1rf6 n ILE 7 Cb 0.00 -1.28 -0.15 0.00 -0.84 0.00 0.00 39.64 37.37 1rf6 n ILE 7 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1rf6 n ARG 8 N 1.51 0.59 -3.92 9.51 5.12 -1.26 -4.76 116.66 123.45 1rf6 n ARG 8 Ca 0.00 -0.18 -0.11 0.00 -1.93 0.00 0.00 57.85 55.64 1rf6 n ARG 8 Cb 0.00 -1.46 -0.12 0.00 -1.16 0.00 0.00 32.46 29.71 1rf6 n ARG 8 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1rf6 s HIS 9 N -3.36 0.11 -0.19 -1.55 3.76 -1.26 -4.11 115.29 108.70 1rf6 s HIS 9 Ca -0.07 -0.22 -0.03 0.00 -0.15 0.00 0.00 55.06 54.59 1rf6 s HIS 9 Cb 0.13 -0.08 0.06 0.00 1.11 0.00 0.00 32.58 33.79 1rf6 s HIS 9 CO 0.81 -0.10 0.03 -0.51 -0.85 0.00 0.00 174.74 174.13 1rf6 s LEU 10 N -0.72 1.16 0.00 0.89 1.43 -1.22 -4.67 118.68 115.56 1rf6 s LEU 10 Ca -0.08 -0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 52.22 1rf6 s LEU 10 Cb -0.05 -0.59 -0.00 0.00 0.03 0.00 0.00 46.19 45.58 1rf6 s LEU 10 CO -0.00 -0.30 0.01 -1.00 0.23 0.00 0.00 176.35 175.29 1rf6 s HIS 11 N 1.86 0.05 0.00 0.29 3.76 -1.03 -0.86 115.29 119.37 1rf6 s HIS 11 Ca -0.01 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.80 1rf6 s HIS 11 Cb -0.17 -0.05 0.00 0.00 1.11 0.00 0.00 32.58 33.47 1rf6 s HIS 11 CO -0.08 -0.07 0.00 0.41 -0.85 0.00 0.00 174.74 174.15 1rf6 n GLY 12 N 2.62 3.40 3.80 -2.22 0.00 -1.22 -2.56 105.19 109.00 1rf6 n GLY 12 Ca -0.16 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.00 5.17 -0.02 -0.61 1.01 -1.26 -2.37 121.20 121.11 1rf6 s ILE 13 Ca 0.00 0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.75 1rf6 s ILE 13 Cb 0.00 -3.25 0.01 0.00 0.01 0.00 0.00 42.46 39.23 1rf6 s ILE 13 CO 0.00 0.59 -0.07 -0.63 0.00 0.00 0.00 174.94 174.83 1rf6 s ILE 14 N -0.77 0.63 -0.47 2.92 -1.09 -0.36 -4.99 121.20 117.07 1rf6 s ILE 14 Ca 0.13 -0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.29 1rf6 s ILE 14 Cb -0.12 -0.57 0.12 0.00 -1.58 0.00 0.00 42.46 40.31 1rf6 s ILE 14 CO 0.03 0.21 0.23 -0.13 -1.23 0.00 0.00 174.94 174.04 1rf6 s ARG 15 N 0.27 1.98 0.70 2.79 0.52 -1.26 -1.66 118.95 122.29 1rf6 s ARG 15 Ca -0.04 -2.21 -0.17 0.00 -0.52 0.00 0.00 55.73 52.80 1rf6 s ARG 15 Cb -0.08 -3.45 0.01 0.00 0.52 0.00 0.00 34.95 31.95 1rf6 s ARG 15 CO 0.00 -1.07 1.22 1.33 0.02 0.00 0.00 175.30 176.80 1rf6 n VAL 16 N 3.86 3.91 -0.64 3.52 0.24 -1.26 -4.98 118.33 122.98 1rf6 n VAL 16 Ca 0.04 -0.41 -0.28 0.00 -2.04 0.00 0.00 64.34 61.65 1rf6 n VAL 16 Cb 0.38 -1.36 0.24 0.00 -1.47 0.00 0.00 33.84 31.64 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 -3.53 -0.83 0.82 7.34 0.04 -1.26 -4.54 135.00 133.03 1rf6 s PRO 17 Ca 0.79 0.75 -0.14 0.00 0.04 0.00 0.00 61.00 62.44 1rf6 s PRO 17 Cb -0.35 -1.57 0.04 0.00 0.04 0.00 0.00 34.50 32.65 1rf6 s PRO 17 CO 0.44 -3.64 0.81 0.41 0.04 0.00 0.00 177.00 175.07 1rf6 n GLY 18 N 0.50 -0.94 3.69 0.56 0.00 -1.25 -1.63 105.19 106.11 1rf6 n GLY 18 Ca 0.03 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1rf6 n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rf6 s ASP 19 N -1.90 6.68 0.10 1.61 -1.08 0.44 -4.14 116.67 118.38 1rf6 s ASP 19 Ca 0.67 2.36 -0.21 0.00 -0.52 0.00 0.00 52.55 54.85 1rf6 s ASP 19 Cb -0.29 -2.56 -0.10 0.00 -1.46 0.00 0.00 42.92 38.51 1rf6 s ASP 19 CO 0.57 -0.84 1.69 0.50 0.52 0.00 0.00 175.17 177.60 1rf6 h LYS 20 N 8.27 0.22 -0.80 4.34 3.64 -1.91 -0.46 116.57 129.86 1rf6 h LYS 20 Ca -0.41 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1rf6 h LYS 20 Cb 1.19 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 1rf6 h LYS 20 CO 0.92 0.23 0.51 0.77 -2.27 0.00 0.00 179.45 179.62 1rf6 h SER 21 N 0.14 0.93 0.19 4.20 0.02 -2.00 -1.44 113.55 115.59 1rf6 h SER 21 Ca 0.05 -0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.78 1rf6 h SER 21 Cb 0.08 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1rf6 h SER 21 CO -0.01 0.69 -0.74 0.40 -1.14 0.00 0.00 176.83 176.04 1rf6 h ILE 22 N 1.09 1.36 -0.23 3.27 2.04 -1.95 -2.90 117.51 120.19 1rf6 h ILE 22 Ca 0.29 -2.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.03 1rf6 h ILE 22 Cb -0.10 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1rf6 h ILE 22 CO -0.06 0.64 0.11 0.28 0.00 0.00 0.00 178.15 179.12 1rf6 h SER 23 N 0.32 0.30 -0.12 1.72 0.02 -0.71 -0.37 113.55 114.70 1rf6 h SER 23 Ca -0.03 -0.12 0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1rf6 h SER 23 Cb 1.32 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.74 1rf6 h SER 23 CO 0.13 0.34 -0.16 0.45 -1.14 0.00 0.00 176.83 176.45 1rf6 h HIS 24 N 0.24 -0.41 -0.05 3.45 3.86 -1.30 -2.58 115.15 118.36 1rf6 h HIS 24 Ca 0.08 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1rf6 h HIS 24 Cb 0.11 0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1rf6 h HIS 24 CO -0.02 -0.23 -0.11 0.00 0.86 0.00 0.00 177.93 178.42 1rf6 h ARG 25 N -0.20 0.07 -0.45 2.45 3.08 -1.29 -2.48 114.38 115.56 1rf6 h ARG 25 Ca 0.09 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1rf6 h ARG 25 Cb 0.34 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1rf6 h ARG 25 CO -0.24 0.19 0.00 0.66 -1.07 0.00 0.00 179.97 179.51 1rf6 h SER 26 N 0.07 0.70 -0.19 7.04 4.64 -0.66 0.91 113.55 126.08 1rf6 h SER 26 Ca 0.02 -0.16 -0.18 0.00 -0.47 0.00 0.00 61.79 61.00 1rf6 h SER 26 Cb 0.25 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1rf6 h SER 26 CO 0.02 0.77 -0.55 0.40 -0.87 0.00 0.00 176.83 176.59 1rf6 h ILE 27 N 0.69 1.29 0.07 0.95 1.08 -1.34 0.12 117.51 120.36 1rf6 h ILE 27 Ca 0.14 -1.75 -0.00 0.00 -0.39 0.00 0.00 64.86 62.85 1rf6 h ILE 27 Cb 0.42 1.67 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 1rf6 h ILE 27 CO 0.02 0.56 -0.03 0.40 -0.69 0.00 0.00 178.15 178.41 1rf6 h ILE 28 N 0.60 1.21 -0.69 -0.67 2.04 -1.08 -1.41 117.51 117.51 1rf6 h ILE 28 Ca 0.01 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 1rf6 h ILE 28 Cb 1.14 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 39.09 1rf6 h ILE 28 CO 0.12 0.26 0.22 -0.26 0.00 0.00 0.00 178.15 178.49 1rf6 h PHE 29 N -0.59 1.09 -0.33 1.37 -1.00 -0.90 -1.74 116.94 114.82 1rf6 h PHE 29 Ca -0.01 -0.10 -0.02 0.00 2.81 0.00 0.00 57.97 60.65 1rf6 h PHE 29 Cb 0.50 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 1rf6 h PHE 29 CO 0.09 0.86 0.11 0.78 -1.61 0.00 0.00 178.31 178.53 1rf6 h GLY 30 N 1.08 0.51 0.83 -1.45 0.00 -0.94 -1.06 103.07 102.04 1rf6 h GLY 30 Ca 0.23 -0.24 -0.18 0.00 0.00 0.00 0.00 47.33 47.13 1rf6 h GLY 30 CO -0.01 0.23 -0.73 1.76 0.00 0.00 0.00 176.54 177.79 1rf6 h SER 31 N 0.47 0.58 1.16 0.19 0.02 -0.77 -3.26 113.55 111.94 1rf6 h SER 31 Ca 0.12 -0.80 -0.06 0.00 -0.84 0.00 0.00 61.79 60.20 1rf6 h SER 31 Cb 0.14 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1rf6 h SER 31 CO -0.01 1.31 -0.30 -0.07 -1.14 0.00 0.00 176.83 176.63 1rf6 h LEU 32 N -0.09 0.00-10.48 5.07 3.38 -1.20 0.56 115.31 112.54 1rf6 h LEU 32 Ca -0.10 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.40 1rf6 h LEU 32 Cb 1.46 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.33 1rf6 h LEU 32 CO 0.14 0.30 0.32 0.00 0.09 0.00 0.00 178.44 179.29 1rf6 s ALA 33 N -3.42 1.98 -0.14 1.53 0.00 -0.41 -1.51 121.76 119.79 1rf6 s ALA 33 Ca 0.02 -0.45 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 1rf6 s ALA 33 Cb 0.09 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 1rf6 s ALA 33 CO 0.67 -2.08 0.11 -1.21 0.00 0.00 0.00 175.76 173.25 1rf6 s GLU 34 N -5.27 3.60 0.04 0.00 2.02 0.10 -2.54 118.70 116.65 1rf6 s GLU 34 Ca 0.63 -0.22 0.00 0.00 0.02 0.00 0.00 54.97 55.40 1rf6 s GLU 34 Cb -0.14 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.91 1rf6 s GLU 34 CO 0.53 0.60 0.00 0.41 0.02 0.00 0.00 175.26 176.82 1rf6 n GLY 35 N 2.54 -3.07 3.85 -1.39 0.00 -1.26 -0.57 105.19 105.28 1rf6 n GLY 35 Ca -0.18 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.54 3.93 -0.04 1.61 2.12 -1.26 -1.00 118.70 123.51 1rf6 s GLU 36 Ca 0.00 0.42 0.04 0.00 0.36 0.00 0.00 54.97 55.79 1rf6 s GLU 36 Cb 0.00 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.45 1rf6 s GLU 36 CO 0.00 0.49 -0.15 0.99 -0.54 0.00 0.00 175.26 176.06 1rf6 s THR 37 N -1.45 1.24 -0.08 -1.70 2.01 -0.06 -3.35 115.64 112.24 1rf6 s THR 37 Ca 0.37 -0.60 0.05 0.00 0.31 0.00 0.00 61.69 61.81 1rf6 s THR 37 Cb -0.15 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 1rf6 s THR 37 CO 0.19 0.36 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.70 1rf6 s LYS 38 N 0.15 2.84 -0.16 4.92 3.01 -0.29 -0.25 119.74 129.96 1rf6 s LYS 38 Ca -0.05 -0.88 0.00 0.00 -1.01 0.00 0.00 55.97 54.03 1rf6 s LYS 38 Cb -0.11 -2.25 -0.00 0.00 -1.01 0.00 0.00 37.83 34.45 1rf6 s LYS 38 CO 0.02 0.27 -0.15 0.08 0.51 0.00 0.00 175.35 176.08 1rf6 s VAL 39 N 0.11 2.64 -0.06 3.17 1.01 0.66 0.01 120.40 127.94 1rf6 s VAL 39 Ca -0.12 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1rf6 s VAL 39 Cb -0.16 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1rf6 s VAL 39 CO 0.06 0.51 0.00 -0.31 0.00 0.00 0.00 175.10 175.37 1rf6 s TYR 40 N 0.88 3.14 -1.59 5.22 1.51 0.49 -2.08 117.35 124.92 1rf6 s TYR 40 Ca -0.04 0.16 -0.03 0.00 -1.01 0.00 0.00 57.07 56.15 1rf6 s TYR 40 Cb -0.15 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1rf6 s TYR 40 CO -0.01 0.47 0.34 -0.25 -1.11 0.00 0.00 175.55 174.99 1rf6 n ASP 41 N 1.89 -5.74 -4.73 2.29 8.00 -1.26 -1.72 116.55 115.27 1rf6 n ASP 41 Ca -0.17 -0.16 -0.34 0.00 0.71 0.00 0.00 54.79 54.83 1rf6 n ASP 41 Cb 0.53 -4.71 0.08 0.00 -0.02 0.00 0.00 41.12 37.01 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 -3.08 2.56 0.00 0.53 2.07 -1.26 -3.93 121.20 118.10 1rf6 s ILE 42 Ca 0.18 0.27 -0.30 0.00 -1.41 0.00 0.00 60.65 59.39 1rf6 s ILE 42 Cb -0.08 -2.79 -0.04 0.00 0.13 0.00 0.00 42.46 39.68 1rf6 s ILE 42 CO 0.22 -0.16 1.13 -0.22 -1.91 0.00 0.00 174.94 174.00 1rf6 s LEU 43 N -5.16 4.34 -0.23 8.50 0.20 -1.26 -4.53 118.68 120.53 1rf6 s LEU 43 Ca 0.72 1.84 0.10 0.00 0.69 0.00 0.00 54.13 57.47 1rf6 s LEU 43 Cb -0.26 -3.57 0.64 0.00 -0.43 0.00 0.00 46.19 42.57 1rf6 s LEU 43 CO 0.45 -0.45 1.56 0.54 -0.29 0.00 0.00 176.35 178.17 1rf6 n ARG 44 N 4.34 3.74 -1.62 1.98 5.12 -1.26 -4.76 116.66 124.20 1rf6 n ARG 44 Ca 0.09 -2.53 -0.35 0.00 -1.93 0.00 0.00 57.85 53.12 1rf6 n ARG 44 Cb 0.48 -2.09 0.07 0.00 -1.16 0.00 0.00 32.46 29.76 1rf6 n ARG 44 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1rf6 s GLY 45 N -0.67 2.47 0.36 -0.13 0.00 -1.26 -4.76 107.32 103.32 1rf6 s GLY 45 Ca 0.45 0.91 0.07 0.00 0.00 0.00 0.00 44.72 46.15 1rf6 s GLY 45 CO 0.12 1.31 1.91 -2.09 0.00 0.00 0.00 173.10 174.36 1rf6 h GLU 46 N 0.07 0.71 -0.76 2.90 4.22 -1.33 -1.26 114.58 119.14 1rf6 h GLU 46 Ca -0.48 -0.04 0.06 0.00 0.08 0.00 0.00 59.36 58.98 1rf6 h GLU 46 Cb 1.30 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 1rf6 h GLU 46 CO 0.52 0.47 0.44 -0.44 -2.18 0.00 0.00 179.01 177.82 1rf6 h ASP 47 N 0.73 0.68 0.21 1.04 3.45 -1.78 0.14 116.42 120.89 1rf6 h ASP 47 Ca 0.38 0.03 -0.17 0.00 0.43 0.00 0.00 57.03 57.70 1rf6 h ASP 47 Cb 0.49 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 1rf6 h ASP 47 CO -0.15 0.43 -0.65 0.58 -1.57 0.00 0.00 179.24 177.88 1rf6 h VAL 48 N 0.81 1.36 -0.44 -1.35 2.07 -1.53 -2.67 116.25 114.51 1rf6 h VAL 48 Ca 0.34 -2.00 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 1rf6 h VAL 48 Cb 0.20 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1rf6 h VAL 48 CO -0.18 0.61 0.22 -0.07 0.02 0.00 0.00 177.57 178.16 1rf6 h LEU 49 N 0.30 0.53 -0.27 2.57 4.07 -0.18 -0.96 115.31 121.37 1rf6 h LEU 49 Ca -0.01 -0.04 -0.06 0.00 0.08 0.00 0.00 57.88 57.84 1rf6 h LEU 49 Cb 1.20 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.80 1rf6 h LEU 49 CO 0.11 0.45 -0.08 0.28 -1.08 0.00 0.00 178.44 178.13 1rf6 h SER 50 N 0.61 0.55 -0.61 -0.43 0.02 -0.52 -1.87 113.55 111.28 1rf6 h SER 50 Ca 0.15 -0.37 0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1rf6 h SER 50 Cb 0.06 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1rf6 h SER 50 CO -0.02 0.80 0.40 0.74 -1.14 0.00 0.00 176.83 177.61 1rf6 h THR 51 N 0.29 1.15 -0.22 -2.27 2.02 -1.05 -0.65 112.91 112.18 1rf6 h THR 51 Ca 0.07 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1rf6 h THR 51 Cb 0.56 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1rf6 h THR 51 CO 0.03 0.15 0.10 0.24 0.37 0.00 0.00 175.52 176.41 1rf6 h MET 52 N 0.82 0.31 -0.41 6.66 2.07 -1.11 -2.45 114.93 120.82 1rf6 h MET 52 Ca 0.23 -0.05 -0.04 0.00 -2.07 0.00 0.00 59.70 57.77 1rf6 h MET 52 Cb -0.09 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.57 1rf6 h MET 52 CO -0.05 0.33 0.08 0.37 1.07 0.00 0.00 176.91 178.71 1rf6 h GLN 53 N 0.22 0.62 -0.52 1.72 5.75 -1.10 -1.47 115.11 120.34 1rf6 h GLN 53 Ca 0.07 -0.11 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1rf6 h GLN 53 Cb 0.12 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 1rf6 h GLN 53 CO -0.01 0.58 0.32 0.28 -2.65 0.00 0.00 178.83 177.35 1rf6 h VAL 54 N 0.60 1.08 -0.00 2.39 2.07 -0.85 0.22 116.25 121.76 1rf6 h VAL 54 Ca 0.14 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 1rf6 h VAL 54 Cb 0.26 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1rf6 h VAL 54 CO -0.00 0.12 -0.51 -0.26 0.02 0.00 0.00 177.57 176.93 1rf6 h PHE 55 N 0.64 0.01 -0.59 1.57 -1.00 -0.93 -1.62 116.94 115.02 1rf6 h PHE 55 Ca 0.20 -0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.90 1rf6 h PHE 55 Cb -0.01 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.52 1rf6 h PHE 55 CO -0.06 0.52 0.05 0.00 -1.61 0.00 0.00 178.31 177.21 1rf6 h ARG 56 N 0.01 1.01 0.00 1.51 3.08 -0.61 0.33 114.38 119.71 1rf6 h ARG 56 Ca -0.00 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 1rf6 h ARG 56 Cb 0.91 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 1rf6 h ARG 56 CO 0.07 0.98 -0.10 -0.44 -1.07 0.00 0.00 179.97 179.41 1rf6 h ASP 57 N 0.91 0.00 -0.24 7.04 3.32 -0.44 0.74 116.42 127.75 1rf6 h ASP 57 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1rf6 h ASP 57 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1rf6 h ASP 57 CO 0.02 0.10 0.00 0.18 -1.72 0.00 0.00 179.24 177.82 1rf6 n LEU 58 N -3.70 1.29 0.00 1.55 4.32 -0.56 -4.12 117.00 115.78 1rf6 n LEU 58 Ca -0.02 -0.64 0.00 0.00 -0.02 0.00 0.00 56.01 55.33 1rf6 n LEU 58 Cb 0.21 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 1rf6 n LEU 58 CO 0.30 0.32 0.00 0.61 -1.22 0.00 0.00 177.39 177.40 1rf6 n GLY 59 N 0.89 0.75 3.73 -0.72 0.00 0.25 -1.03 105.19 109.07 1rf6 n GLY 59 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.87 4.46 -0.31 1.61 1.01 -0.00 -4.97 120.40 119.33 1rf6 s VAL 60 Ca 0.00 2.02 -0.25 0.00 0.00 0.00 0.00 61.98 63.75 1rf6 s VAL 60 Cb 0.00 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.09 1rf6 s VAL 60 CO 0.00 0.35 0.88 -0.70 0.00 0.00 0.00 175.10 175.64 1rf6 s GLU 61 N -0.20 4.01 -0.26 2.72 -6.30 -1.26 -3.87 118.70 113.54 1rf6 s GLU 61 Ca 0.45 0.77 -0.02 0.00 -2.50 0.00 0.00 54.97 53.67 1rf6 s GLU 61 Cb -0.23 -3.73 0.08 0.00 0.00 0.00 0.00 34.13 30.25 1rf6 s GLU 61 CO 0.29 -0.74 0.07 0.42 0.02 0.00 0.00 175.26 175.32 1rf6 s ILE 62 N 3.17 0.62 -0.16 -3.70 1.01 -1.26 -2.00 121.20 118.88 1rf6 s ILE 62 Ca 0.37 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 59.97 1rf6 s ILE 62 Cb -0.14 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1rf6 s ILE 62 CO 0.13 -0.48 0.12 -0.70 0.00 0.00 0.00 174.94 174.02 1rf6 s GLU 63 N 1.77 3.81 -0.37 2.79 2.12 -0.26 -4.94 118.70 123.63 1rf6 s GLU 63 Ca 0.05 -0.20 -0.04 0.00 0.36 0.00 0.00 54.97 55.14 1rf6 s GLU 63 Cb -0.17 -3.28 0.07 0.00 0.26 0.00 0.00 34.13 31.01 1rf6 s GLU 63 CO -0.19 0.52 0.14 0.34 -0.54 0.00 0.00 175.26 175.52 1rf6 s ASP 64 N -0.28 5.23 -0.02 -1.70 3.68 -1.26 -0.70 116.67 121.63 1rf6 s ASP 64 Ca 0.11 -1.56 0.00 0.00 2.13 0.00 0.00 52.55 53.23 1rf6 s ASP 64 Cb -0.12 -1.83 0.02 0.00 -1.45 0.00 0.00 42.92 39.55 1rf6 s ASP 64 CO 0.01 -0.42 0.02 -0.75 0.13 0.00 0.00 175.17 174.16 1rf6 s LYS 65 N 1.27 0.00 -1.42 4.34 2.20 -0.59 -4.86 119.74 120.68 1rf6 s LYS 65 Ca 0.02 0.14 -0.12 0.00 -0.36 0.00 0.00 55.97 55.64 1rf6 s LYS 65 Cb -0.21 -0.22 0.10 0.00 -1.51 0.00 0.00 37.83 35.99 1rf6 s LYS 65 CO -0.01 -0.13 0.63 -0.25 -0.36 0.00 0.00 175.35 175.23 1rf6 n ASP 66 N 3.94 -3.75 0.00 1.43 8.00 -1.26 -0.91 116.55 124.01 1rf6 n ASP 66 Ca -0.24 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.66 1rf6 n ASP 66 Cb 0.52 -3.08 0.00 0.00 -0.02 0.00 0.00 41.12 38.55 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 -1.29 0.85 3.41 0.44 0.00 -1.26 -5.03 105.19 102.31 1rf6 n GLY 67 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.36 2.90 -0.26 1.61 1.01 -0.08 -4.44 120.40 117.77 1rf6 s VAL 68 Ca 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1rf6 s VAL 68 Cb 0.00 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1rf6 s VAL 68 CO 0.00 0.57 0.23 -0.63 0.00 0.00 0.00 175.10 175.27 1rf6 s ILE 69 N -0.32 5.29 -0.18 2.22 -1.09 -0.88 -1.55 121.20 124.70 1rf6 s ILE 69 Ca 0.03 0.29 -0.01 0.00 -2.23 0.00 0.00 60.65 58.73 1rf6 s ILE 69 Cb -0.13 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 1rf6 s ILE 69 CO 0.02 0.26 -0.14 -0.89 -1.23 0.00 0.00 174.94 172.97 1rf6 s THR 70 N 1.55 2.71 -0.10 2.92 2.01 0.12 -0.25 115.64 124.61 1rf6 s THR 70 Ca 0.10 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.37 1rf6 s THR 70 Cb -0.15 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 1rf6 s THR 70 CO 0.08 0.50 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.67 1rf6 s VAL 71 N 1.08 2.88 -0.54 3.82 1.01 0.65 -1.10 120.40 128.21 1rf6 s VAL 71 Ca -0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 1rf6 s VAL 71 Cb -0.14 -2.17 0.11 0.00 0.00 0.00 0.00 36.38 34.18 1rf6 s VAL 71 CO -0.04 0.55 0.53 -1.10 0.00 0.00 0.00 175.10 175.04 1rf6 s GLN 72 N 0.04 3.01 0.52 2.72 -1.52 -0.85 -0.88 119.66 122.70 1rf6 s GLN 72 Ca -0.06 -1.52 -0.21 0.00 -1.95 0.00 0.00 55.36 51.63 1rf6 s GLN 72 Cb -0.15 -4.25 -0.07 0.00 -0.22 0.00 0.00 33.01 28.32 1rf6 s GLN 72 CO 0.05 -1.31 0.98 0.41 -0.25 0.00 0.00 175.29 175.16 1rf6 n GLY 73 N 5.24 -0.29 0.33 3.09 0.00 -0.17 -4.35 105.19 109.05 1rf6 n GLY 73 Ca -0.12 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.17 0.35 0.00 1.61 0.24 0.18 -4.45 118.33 115.09 1rf6 n VAL 74 Ca 0.11 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1rf6 n VAL 74 Cb 0.44 0.92 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 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 0.31 -0.47 0.33 7.63 0.00 -1.05 -3.06 105.19 108.88 1rf6 n GLY 75 Ca 0.05 -1.68 0.20 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 -0.41 1.61 4.05 -1.57 -2.40 114.93 116.20 1rf6 h MET 76 Ca 0.00 0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 59.12 1rf6 h MET 76 Cb 0.00 0.00 -0.34 0.00 -0.80 0.00 0.00 31.60 30.46 1rf6 h MET 76 CO 0.00 0.00 -0.89 0.00 0.23 0.00 0.00 176.91 176.25 1rf6 n ALA 77 N -2.16 3.62 0.81 0.39 0.00 -1.26 -4.81 120.51 117.11 1rf6 n ALA 77 Ca -0.03 -3.17 0.09 0.00 0.00 0.00 0.00 53.44 50.33 1rf6 n ALA 77 Cb 0.07 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.57 -0.18 3.77 0.00 0.00 -0.90 -4.98 105.19 102.32 1rf6 n GLY 78 Ca 0.22 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.36 4.25 0.19 0.99 1.43 -1.26 -4.93 118.68 116.98 1rf6 s LEU 79 Ca 0.13 2.63 0.10 0.00 -1.03 0.00 0.00 54.13 55.96 1rf6 s LEU 79 Cb 0.14 -3.87 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 1rf6 s LEU 79 CO 0.53 -0.78 -0.18 -0.54 0.23 0.00 0.00 176.35 175.61 1rf6 s LYS 80 N -2.17 1.73 0.04 1.70 -0.14 -0.20 -4.96 119.74 115.75 1rf6 s LYS 80 Ca 0.56 -1.43 -0.35 0.00 -1.36 0.00 0.00 55.97 53.38 1rf6 s LYS 80 Cb -0.37 -1.97 -0.14 0.00 -1.68 0.00 0.00 37.83 33.66 1rf6 s LYS 80 CO 0.48 0.41 1.59 0.00 -0.76 0.00 0.00 175.35 177.08 1rf6 n ALA 81 N 0.17 0.49 -1.50 5.17 0.00 -1.26 -4.49 120.51 119.08 1rf6 n ALA 81 Ca -0.12 0.43 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 1rf6 n ALA 81 Cb 0.56 -2.29 0.07 0.00 0.00 0.00 0.00 19.45 17.78 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 1.71 2.63 -0.04 0.00 0.04 -1.26 -4.91 135.00 133.17 1rf6 s PRO 82 Ca 0.85 0.94 -0.23 0.00 0.04 0.00 0.00 61.00 62.61 1rf6 s PRO 82 Cb -0.80 -1.96 -0.25 0.00 0.04 0.00 0.00 34.50 31.54 1rf6 s PRO 82 CO 0.46 -1.31 1.02 1.96 0.04 0.00 0.00 177.00 179.16 1rf6 h GLN 83 N -0.87 0.26 0.00 4.56 7.50 -1.93 -3.48 115.11 121.15 1rf6 h GLN 83 Ca -0.44 -0.31 -0.15 0.00 0.50 0.00 0.00 58.65 58.25 1rf6 h GLN 83 Cb 1.22 0.09 -0.03 0.00 0.05 0.00 0.00 27.48 28.82 1rf6 h GLN 83 CO 0.56 1.04 -0.11 0.09 -1.50 0.00 0.00 178.83 178.91 1rf6 n ASN 84 N -4.36 1.84 -4.77 1.46 5.03 -1.26 -5.12 115.26 108.09 1rf6 n ASN 84 Ca -0.11 -1.51 -0.39 0.00 0.87 0.00 0.00 54.58 53.44 1rf6 n ASN 84 Cb 0.61 0.14 -0.01 0.00 -1.02 0.00 0.00 39.78 39.50 1rf6 n ASN 84 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1rf6 s ALA 85 N -2.22 3.20 -0.21 5.41 0.00 -1.26 -4.79 121.76 121.88 1rf6 s ALA 85 Ca 0.02 1.10 -0.26 0.00 0.00 0.00 0.00 51.96 52.82 1rf6 s ALA 85 Cb 0.00 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 1rf6 s ALA 85 CO 0.01 -0.69 0.90 -0.51 0.00 0.00 0.00 175.76 175.47 1rf6 s LEU 86 N -2.47 4.12 -0.63 0.00 1.43 0.14 -4.96 118.68 116.31 1rf6 s LEU 86 Ca 0.57 1.19 -0.22 0.00 -1.03 0.00 0.00 54.13 54.64 1rf6 s LEU 86 Cb -0.35 -3.32 0.07 0.00 0.03 0.00 0.00 46.19 42.63 1rf6 s LEU 86 CO 0.44 -0.53 0.92 0.21 0.23 0.00 0.00 176.35 177.63 1rf6 s ASN 87 N 1.24 6.21 0.00 2.29 3.84 -1.26 -1.97 114.94 125.29 1rf6 s ASN 87 Ca 0.39 -0.89 0.30 0.00 0.21 0.00 0.00 52.86 52.87 1rf6 s ASN 87 Cb -0.16 -2.41 1.52 0.00 -0.55 0.00 0.00 41.25 39.65 1rf6 s ASN 87 CO 0.09 -1.35 2.04 0.23 -2.79 0.00 0.00 177.10 175.32 1rf6 n MET 88 N 7.49 0.56 0.00 0.43 2.81 0.24 -4.83 117.12 123.81 1rf6 n MET 88 Ca -0.03 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 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 1.25 3.89 0.89 3.03 0.00 -1.25 -1.06 105.19 111.93 1rf6 n GLY 89 Ca 0.16 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.43 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 7.24 3.14 -4.48 1.61 5.15 -1.26 0.04 115.26 126.69 1rf6 n ASN 90 Ca 0.00 -1.92 -0.43 0.00 -0.60 0.00 0.00 54.58 51.62 1rf6 n ASN 90 Cb 0.00 -0.26 -0.05 0.00 -0.53 0.00 0.00 39.78 38.94 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 -1.10 6.28 0.13 1.20 0.15 -0.22 -4.80 113.70 115.34 1rf6 s SER 91 Ca 0.31 -0.65 -0.10 0.00 0.70 0.00 0.00 55.95 56.21 1rf6 s SER 91 Cb 0.17 -2.37 -0.06 0.00 -1.71 0.00 0.00 66.02 62.05 1rf6 s SER 91 CO 0.23 -1.08 1.40 1.23 1.20 0.00 0.00 173.24 176.22 1rf6 h GLY 92 N 10.40 0.88 0.67 9.45 0.00 -1.93 -2.94 103.07 119.60 1rf6 h GLY 92 Ca -0.27 -1.07 0.09 0.00 0.00 0.00 0.00 47.33 46.09 1rf6 h GLY 92 CO 1.04 0.96 0.61 -0.84 0.00 0.00 0.00 176.54 178.30 1rf6 h THR 93 N 0.60 0.99 0.54 4.70 2.02 -1.97 0.12 112.91 119.91 1rf6 h THR 93 Ca -0.00 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1rf6 h THR 93 Cb 1.20 -0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1rf6 h THR 93 CO 0.13 0.18 -0.26 0.28 0.37 0.00 0.00 175.52 176.22 1rf6 h SER 94 N 0.99 -0.61 -0.72 4.18 0.02 -1.89 -1.72 113.55 113.81 1rf6 h SER 94 Ca 0.44 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.27 1rf6 h SER 94 Cb 0.36 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1rf6 h SER 94 CO -0.19 -0.25 0.19 -0.29 -1.14 0.00 0.00 176.83 175.15 1rf6 h ILE 95 N -1.01 1.26 -0.06 3.27 2.10 -1.34 -0.13 117.51 121.61 1rf6 h ILE 95 Ca -0.07 -0.95 -0.02 0.00 1.08 0.00 0.00 64.86 64.90 1rf6 h ILE 95 Cb 0.63 0.50 -0.00 0.00 -1.09 0.00 0.00 36.82 36.85 1rf6 h ILE 95 CO 0.12 0.37 -0.02 0.03 -1.08 0.00 0.00 178.15 177.56 1rf6 h ARG 96 N 1.08 0.11 -0.14 2.19 3.08 -1.04 -2.17 114.38 117.49 1rf6 h ARG 96 Ca 0.23 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 1rf6 h ARG 96 Cb 0.35 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1rf6 h ARG 96 CO -0.00 0.49 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.24 1rf6 h LEU 97 N -0.27 0.32 -2.25 3.04 3.38 -1.30 -3.08 115.31 115.16 1rf6 h LEU 97 Ca 0.01 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1rf6 h LEU 97 Cb 0.45 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1rf6 h LEU 97 CO 0.01 0.67 -0.04 0.40 0.09 0.00 0.00 178.44 179.56 1rf6 h ILE 98 N -0.04 0.59 -0.72 1.22 2.04 -1.09 -0.95 117.51 118.56 1rf6 h ILE 98 Ca 0.03 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1rf6 h ILE 98 Cb 0.56 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1rf6 h ILE 98 CO 0.02 0.04 0.26 0.28 0.00 0.00 0.00 178.15 178.76 1rf6 h SER 99 N 0.00 1.01 0.26 1.72 0.02 -1.29 -0.43 113.55 114.84 1rf6 h SER 99 Ca -0.00 -0.16 -0.19 0.00 -0.84 0.00 0.00 61.79 60.60 1rf6 h SER 99 Cb 0.11 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1rf6 h SER 99 CO 0.01 0.91 -0.74 1.23 -1.14 0.00 0.00 176.83 177.10 1rf6 h GLY 100 N 1.10 0.45 1.01 -3.77 0.00 -1.26 -3.07 103.07 97.54 1rf6 h GLY 100 Ca 0.24 -0.64 0.01 0.00 0.00 0.00 0.00 47.33 46.94 1rf6 h GLY 100 CO -0.02 0.57 0.58 -2.08 0.00 0.00 0.00 176.54 175.59 1rf6 h VAL 101 N 0.27 1.23 -0.11 4.60 2.07 -0.50 -2.04 116.25 121.78 1rf6 h VAL 101 Ca -0.03 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1rf6 h VAL 101 Cb 1.31 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1rf6 h VAL 101 CO 0.13 0.23 0.00 0.18 0.02 0.00 0.00 177.57 178.12 1rf6 n LEU 102 N -4.46 0.85 -0.01 2.57 4.32 -0.24 -4.19 117.00 115.84 1rf6 n LEU 102 Ca 0.10 -0.38 0.20 0.00 -0.02 0.00 0.00 56.01 55.90 1rf6 n LEU 102 Cb 0.02 -0.07 0.67 0.00 -1.62 0.00 0.00 43.42 42.42 1rf6 n LEU 102 CO 0.37 0.19 1.18 0.00 -1.22 0.00 0.00 177.39 177.91 1rf6 h ALA 103 N 3.66 2.46 -0.44 -1.18 0.00 -1.27 -0.43 119.26 122.07 1rf6 h ALA 103 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rf6 h ALA 103 Cb 0.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rf6 h ALA 103 CO 0.00 -0.61 0.00 0.41 0.00 0.00 0.00 179.25 179.05 1rf6 n GLY 104 N -1.63 1.93 3.65 0.00 0.00 -1.26 -1.55 105.19 106.33 1rf6 n GLY 104 Ca 0.10 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.24 3.62 -1.60 4.61 0.00 -0.17 -4.45 121.76 122.53 1rf6 s ALA 105 Ca 0.37 0.30 -0.10 0.00 0.00 0.00 0.00 51.96 52.52 1rf6 s ALA 105 Cb 0.21 -3.62 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 1rf6 s ALA 105 CO 0.28 -1.24 2.90 -3.47 0.00 0.00 0.00 175.76 174.24 1rf6 n ASP 106 N 6.67 8.56 -3.63 0.00 4.64 -1.26 -1.89 116.55 129.64 1rf6 n ASP 106 Ca 0.13 -2.62 -0.04 0.00 -1.38 0.00 0.00 54.79 50.89 1rf6 n ASP 106 Cb 0.46 -1.55 -0.01 0.00 -1.04 0.00 0.00 41.12 38.97 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 1.98 -0.17 -0.07 -0.67 -0.12 -1.26 -5.00 117.98 112.67 1rf6 s PHE 107 Ca 0.68 -0.01 -0.05 0.00 -0.05 0.00 0.00 56.93 57.50 1rf6 s PHE 107 Cb 0.18 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 43.10 1rf6 s PHE 107 CO -0.06 -0.53 0.16 -2.00 -0.05 0.00 0.00 175.22 172.73 1rf6 s GLU 108 N -2.92 3.44 0.09 1.99 2.12 -1.26 -3.22 118.70 118.96 1rf6 s GLU 108 Ca 0.10 -0.20 0.02 0.00 0.36 0.00 0.00 54.97 55.25 1rf6 s GLU 108 Cb 0.00 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 1rf6 s GLU 108 CO -0.03 0.74 -0.07 0.14 -0.54 0.00 0.00 175.26 175.49 1rf6 s VAL 109 N -1.15 0.72 -0.11 3.70 -7.23 0.16 -4.84 120.40 111.67 1rf6 s VAL 109 Ca 0.20 -1.81 0.03 0.00 -1.81 0.00 0.00 61.98 58.59 1rf6 s VAL 109 Cb -0.12 -1.53 -0.00 0.00 0.56 0.00 0.00 36.38 35.29 1rf6 s VAL 109 CO 0.10 -0.78 -0.23 -0.70 -0.31 0.00 0.00 175.10 173.18 1rf6 s GLU 110 N -3.46 3.08 -0.09 4.82 2.12 -1.26 -0.57 118.70 123.34 1rf6 s GLU 110 Ca 0.09 -0.86 0.03 0.00 0.36 0.00 0.00 54.97 54.59 1rf6 s GLU 110 Cb 0.03 -2.34 0.01 0.00 0.26 0.00 0.00 34.13 32.08 1rf6 s GLU 110 CO -0.03 0.17 -0.19 -1.64 -0.54 0.00 0.00 175.26 173.02 1rf6 s MET 111 N 0.38 2.47 0.16 4.30 -1.94 -0.43 0.29 119.30 124.52 1rf6 s MET 111 Ca -0.17 -0.68 0.02 0.00 -1.71 0.00 0.00 55.69 53.15 1rf6 s MET 111 Cb -0.18 -1.93 -0.05 0.00 2.01 0.00 0.00 34.83 34.69 1rf6 s MET 111 CO 0.08 0.09 -0.01 -0.59 -0.01 0.00 0.00 175.02 174.58 1rf6 s PHE 112 N 0.53 1.15 0.18 -0.03 -0.71 -0.83 -0.29 117.98 117.98 1rf6 s PHE 112 Ca -0.16 -1.00 0.04 0.00 -1.04 0.00 0.00 56.93 54.77 1rf6 s PHE 112 Cb -0.17 -0.65 -0.01 0.00 -1.21 0.00 0.00 43.02 40.98 1rf6 s PHE 112 CO 0.06 -0.20 0.16 0.41 -1.34 0.00 0.00 175.22 174.31 1rf6 n GLY 113 N -0.20 3.36 0.00 1.99 0.00 -1.26 -0.60 105.19 108.48 1rf6 n GLY 113 Ca -0.08 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.25 -0.38 -0.01 1.61 3.85 0.11 -4.62 116.55 114.85 1rf6 n ASP 114 Ca 0.04 -0.80 0.03 0.00 -0.71 0.00 0.00 54.79 53.35 1rf6 n ASP 114 Cb 0.33 0.00 0.39 0.00 -1.35 0.00 0.00 41.12 40.49 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 -0.38 0.49 -0.09 -1.12 2.03 -1.99 -1.37 116.42 113.98 1rf6 h ASP 115 Ca 0.00 -0.03 -0.08 0.00 -0.73 0.00 0.00 57.03 56.20 1rf6 h ASP 115 Cb 0.00 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.38 1rf6 h ASP 115 CO 0.00 0.39 -0.24 -1.28 -1.03 0.00 0.00 179.24 177.08 1rf6 h SER 116 N 0.56 0.37 -0.08 4.15 0.87 -1.89 -3.32 113.55 114.23 1rf6 h SER 116 Ca 0.15 -0.59 -0.13 0.00 -1.23 0.00 0.00 61.79 59.99 1rf6 h SER 116 Cb 0.01 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1rf6 h SER 116 CO -0.03 0.89 -0.38 0.25 -0.53 0.00 0.00 176.83 177.04 1rf6 h LEU 117 N -0.13 0.63 -1.05 2.23 6.46 -1.77 -3.05 115.31 118.64 1rf6 h LEU 117 Ca -0.00 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1rf6 h LEU 117 Cb 0.85 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1rf6 h LEU 117 CO 0.05 0.95 0.00 -1.20 -0.62 0.00 0.00 178.44 177.62 1rf6 n SER 118 N -4.04 0.54 -0.98 1.25 7.64 -0.53 -1.58 113.62 115.93 1rf6 n SER 118 Ca -0.02 0.71 0.12 0.00 1.01 0.00 0.00 58.87 60.69 1rf6 n SER 118 Cb 0.51 -0.79 0.25 0.00 -1.01 0.00 0.00 64.21 63.16 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 -2.18 2.28 -4.37 1.43 5.02 -1.15 -4.08 118.16 115.12 1rf6 n LYS 119 Ca -0.00 -1.93 -0.35 0.00 -2.02 0.00 0.00 58.31 54.01 1rf6 n LYS 119 Cb 0.10 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.54 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 -1.63 2.97 0.16 1.97 0.52 -0.61 -5.07 118.95 117.25 1rf6 s ARG 120 Ca 0.36 -0.42 -0.31 0.00 -0.52 0.00 0.00 55.73 54.84 1rf6 s ARG 120 Cb 0.21 -2.79 -0.09 0.00 0.52 0.00 0.00 34.95 32.81 1rf6 s ARG 120 CO 0.30 0.70 1.44 -1.25 0.02 0.00 0.00 175.30 176.51 1rf6 s PRO 121 N -0.92 4.29 0.00 3.54 0.04 -1.26 -4.22 135.00 136.47 1rf6 s PRO 121 Ca 0.14 2.19 0.07 0.00 0.04 0.00 0.00 61.00 63.44 1rf6 s PRO 121 Cb -0.11 -3.19 0.10 0.00 0.04 0.00 0.00 34.50 31.34 1rf6 s PRO 121 CO 0.03 -0.46 0.86 -1.33 0.04 0.00 0.00 177.00 176.14 1rf6 n MET 122 N 3.52 0.86 0.15 4.56 2.81 -0.87 -4.58 117.12 123.58 1rf6 n MET 122 Ca 0.11 -1.21 0.04 0.00 -1.81 0.00 0.00 57.70 54.83 1rf6 n MET 122 Cb 0.41 -1.16 0.47 0.00 -0.71 0.00 0.00 33.22 32.23 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 1.45 0.17 -0.16 7.83 2.03 -1.63 -0.46 116.42 125.64 1rf6 h ASP 123 Ca 0.00 -0.02 0.05 0.00 -0.73 0.00 0.00 57.03 56.32 1rf6 h ASP 123 Cb 0.41 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 38.86 1rf6 h ASP 123 CO 0.00 0.26 0.16 0.08 -1.03 0.00 0.00 179.24 178.71 1rf6 h ARG 124 N 0.18 0.00 0.00 4.15 0.11 -1.88 -1.74 114.38 115.20 1rf6 h ARG 124 Ca 0.04 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.88 1rf6 h ARG 124 Cb 0.23 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.27 1rf6 h ARG 124 CO 0.01 0.00 -1.94 1.33 0.10 0.00 0.00 179.97 179.47 1rf6 n VAL 125 N -3.97 0.89 -0.21 0.08 0.24 -0.68 -4.48 118.33 110.20 1rf6 n VAL 125 Ca 0.01 -0.58 -0.09 0.00 -2.04 0.00 0.00 64.34 61.64 1rf6 n VAL 125 Cb 0.28 -0.56 0.02 0.00 -1.47 0.00 0.00 33.84 32.11 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 1.27 0.64 3.34 1.35 -0.83 -1.98 112.91 116.69 1rf6 h THR 126 Ca -0.35 -1.17 -0.03 0.00 -0.55 0.00 0.00 66.41 64.31 1rf6 h THR 126 Cb 1.78 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 1rf6 h THR 126 CO 0.02 0.42 -0.42 0.25 -0.25 0.00 0.00 175.52 175.54 1rf6 h LEU 127 N 0.95 -1.09 -1.11 3.87 6.46 -1.57 0.87 115.31 123.70 1rf6 h LEU 127 Ca 0.17 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.96 1rf6 h LEU 127 Cb 0.58 0.32 -0.03 0.00 -0.73 0.00 0.00 40.66 40.80 1rf6 h LEU 127 CO 0.03 -0.64 0.29 1.55 -0.62 0.00 0.00 178.44 179.06 1rf6 h PRO 128 N -1.01 0.92 -0.76 5.25 0.13 -1.78 -2.75 132.00 131.99 1rf6 h PRO 128 Ca -0.09 -0.13 -0.02 0.00 -0.87 0.00 0.00 66.00 64.90 1rf6 h PRO 128 Cb 0.82 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 31.74 1rf6 h PRO 128 CO 0.07 0.72 0.41 -0.07 -0.23 0.00 0.00 178.00 178.90 1rf6 h LEU 129 N 0.91 0.96 -1.72 1.56 4.07 -1.19 -2.04 115.31 117.86 1rf6 h LEU 129 Ca 0.22 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 1rf6 h LEU 129 Cb 0.12 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.61 1rf6 h LEU 129 CO -0.03 0.79 -0.16 0.11 -1.08 0.00 0.00 178.44 178.07 1rf6 h LYS 130 N 1.06 0.00 -0.44 1.13 1.57 -0.53 -1.78 116.57 117.58 1rf6 h LYS 130 Ca 0.27 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 1rf6 h LYS 130 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1rf6 h LYS 130 CO -0.04 0.16 0.21 0.87 -0.57 0.00 0.00 179.45 180.08 1rf6 h LYS 131 N 0.00 0.61 0.00 3.15 1.57 -1.20 -1.35 116.57 119.36 1rf6 h LYS 131 Ca -0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1rf6 h LYS 131 Cb 0.30 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1rf6 h LYS 131 CO 0.02 0.48 0.00 -1.33 -0.57 0.00 0.00 179.45 178.05 1rf6 n MET 132 N -4.39 0.20 0.00 3.15 2.81 -0.70 -4.87 117.12 113.32 1rf6 n MET 132 Ca 0.03 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 1rf6 n MET 132 Cb 0.12 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 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 0.86 1.29 3.79 3.03 0.00 -0.51 -1.65 105.19 112.00 1rf6 n GLY 133 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 4.50 -0.45 1.61 1.01 -1.03 -4.63 120.40 119.40 1rf6 s VAL 134 Ca 0.00 1.53 -0.13 0.00 0.00 0.00 0.00 61.98 63.37 1rf6 s VAL 134 Cb 0.00 -4.05 0.07 0.00 0.00 0.00 0.00 36.38 32.40 1rf6 s VAL 134 CO 0.00 0.53 0.35 -0.44 0.00 0.00 0.00 175.10 175.54 1rf6 s SER 135 N -1.15 5.97 -0.00 3.32 0.01 -0.69 -3.89 113.70 117.27 1rf6 s SER 135 Ca 0.33 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1rf6 s SER 135 Cb -0.22 -2.12 -0.00 0.00 0.21 0.00 0.00 66.02 63.90 1rf6 s SER 135 CO 0.24 -0.61 -0.01 -0.63 0.41 0.00 0.00 173.24 172.64 1rf6 s ILE 136 N 1.57 0.05 -0.04 1.44 1.09 -1.26 -0.25 121.20 123.80 1rf6 s ILE 136 Ca 0.04 -0.04 -0.22 0.00 -1.10 0.00 0.00 60.65 59.33 1rf6 s ILE 136 Cb -0.24 -0.05 0.04 0.00 -1.06 0.00 0.00 42.46 41.15 1rf6 s ILE 136 CO 0.05 0.00 0.48 -0.94 -0.10 0.00 0.00 174.94 174.43 1rf6 s SER 137 N -0.04 -0.41 0.00 3.58 1.04 -0.87 -4.97 113.70 112.04 1rf6 s SER 137 Ca -0.00 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1rf6 s SER 137 Cb -0.00 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1rf6 s SER 137 CO -0.00 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1rf6 n GLY 138 N 1.16 6.80 3.71 7.32 0.00 -1.26 -1.18 105.19 121.74 1rf6 n GLY 138 Ca -0.20 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.61 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 1.23 4.19 0.00 1.61 -1.52 0.25 -4.71 119.66 120.72 1rf6 s GLN 139 Ca 0.00 -0.10 0.00 0.00 -1.95 0.00 0.00 55.36 53.31 1rf6 s GLN 139 Cb 0.00 -3.46 0.00 0.00 -0.22 0.00 0.00 33.01 29.33 1rf6 s GLN 139 CO 0.00 0.20 0.00 2.41 -0.25 0.00 0.00 175.29 177.65 1rf6 n THR 140 N 3.76 0.00 0.28 -0.19 -1.04 -1.26 -1.15 114.28 114.69 1rf6 n THR 140 Ca -0.14 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 61.98 1rf6 n THR 140 Cb 0.52 0.00 0.52 0.00 -1.82 0.00 0.00 70.33 69.55 1rf6 n THR 140 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1rf6 n GLU 141 N -2.24 0.16 0.00 -2.82 0.00 -1.26 -0.64 120.64 113.84 1rf6 n GLU 141 Ca 0.00 0.52 0.15 0.00 0.00 0.00 0.00 57.16 57.83 1rf6 n GLU 141 Cb 0.00 -1.90 0.71 0.00 0.00 0.00 0.00 31.44 30.25 1rf6 n GLU 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1rf6 n ARG 142 N -2.22 0.79 -3.82 3.44 5.12 -1.26 -4.82 116.66 113.90 1rf6 n ARG 142 Ca 0.00 -0.20 -0.32 0.00 -1.93 0.00 0.00 57.85 55.41 1rf6 n ARG 142 Cb 0.13 -1.50 0.02 0.00 -1.16 0.00 0.00 32.46 29.96 1rf6 n ARG 142 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1rf6 n ASP 143 N -0.93 -3.57 -4.82 0.55 8.00 0.19 -2.05 116.55 113.91 1rf6 n ASP 143 Ca 0.17 -1.05 -0.33 0.00 0.71 0.00 0.00 54.79 54.29 1rf6 n ASP 143 Cb 0.24 -3.06 -0.03 0.00 -0.02 0.00 0.00 41.12 38.25 1rf6 n ASP 143 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rf6 s LEU 144 N -6.76 3.70 0.73 0.64 1.43 -0.30 -2.28 118.68 115.85 1rf6 s LEU 144 Ca 0.33 1.73 -0.15 0.00 -1.03 0.00 0.00 54.13 55.01 1rf6 s LEU 144 Cb -0.13 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.60 1rf6 s LEU 144 CO 0.88 -0.73 1.20 -2.84 0.23 0.00 0.00 176.35 175.09 1rf6 s PRO 145 N -3.72 2.14 0.41 1.29 0.02 -1.26 -0.58 135.00 133.30 1rf6 s PRO 145 Ca 0.62 1.71 -0.25 0.00 0.02 0.00 0.00 61.00 63.11 1rf6 s PRO 145 Cb -0.13 -1.84 -0.08 0.00 0.02 0.00 0.00 34.50 32.47 1rf6 s PRO 145 CO 0.27 -1.82 1.17 -2.14 -0.33 0.00 0.00 177.00 174.14 1rf6 s PRO 146 N -3.97 4.01 0.15 5.54 0.02 -1.26 -4.70 135.00 134.78 1rf6 s PRO 146 Ca 0.73 1.83 0.05 0.00 0.02 0.00 0.00 61.00 63.63 1rf6 s PRO 146 Cb -0.28 -2.63 -0.04 0.00 0.02 0.00 0.00 34.50 31.57 1rf6 s PRO 146 CO 0.46 -0.35 0.07 -0.51 -0.33 0.00 0.00 177.00 176.34 1rf6 s LEU 147 N -2.58 3.63 -0.13 -5.54 1.43 0.61 -4.11 118.68 111.99 1rf6 s LEU 147 Ca 0.58 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.52 1rf6 s LEU 147 Cb -0.30 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.64 1rf6 s LEU 147 CO 0.38 0.10 -0.21 -0.13 0.23 0.00 0.00 176.35 176.72 1rf6 s ARG 148 N -2.86 3.09 -0.05 1.70 1.81 -0.32 -1.32 118.95 121.00 1rf6 s ARG 148 Ca 0.29 -0.83 0.02 0.00 -1.72 0.00 0.00 55.73 53.49 1rf6 s ARG 148 Cb -0.10 -2.43 0.01 0.00 -0.45 0.00 0.00 34.95 31.98 1rf6 s ARG 148 CO 0.21 0.08 -0.10 -1.17 -0.68 0.00 0.00 175.30 173.64 1rf6 s LEU 149 N 0.60 1.61 -0.24 2.53 1.98 0.26 -2.04 118.68 123.38 1rf6 s LEU 149 Ca -0.12 -0.25 -0.02 0.00 -2.89 0.00 0.00 54.13 50.86 1rf6 s LEU 149 Cb -0.16 -0.72 0.08 0.00 0.66 0.00 0.00 46.19 46.05 1rf6 s LEU 149 CO 0.03 0.02 0.05 -0.75 -1.89 0.00 0.00 176.35 173.82 1rf6 s LYS 150 N 0.63 0.74 1.06 1.98 2.47 0.65 0.38 119.74 127.65 1rf6 s LYS 150 Ca -0.12 -0.69 -0.18 0.00 -1.56 0.00 0.00 55.97 53.42 1rf6 s LYS 150 Cb -0.14 -2.07 0.24 0.00 -1.46 0.00 0.00 37.83 34.40 1rf6 s LYS 150 CO 0.03 -0.77 1.25 0.20 0.16 0.00 0.00 175.35 176.22 1rf6 s GLY 151 N 1.75 1.72 0.03 5.54 0.00 -0.79 -1.71 107.32 113.86 1rf6 s GLY 151 Ca 0.03 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.61 1rf6 s GLY 151 CO -0.15 -0.32 -0.07 -1.08 0.00 0.00 0.00 173.10 171.48 1rf6 s THR 152 N -3.59 0.51 -1.81 0.90 -1.32 -0.60 -4.49 115.64 105.25 1rf6 s THR 152 Ca 0.74 -0.78 0.29 0.00 -1.21 0.00 0.00 61.69 60.73 1rf6 s THR 152 Cb -0.05 -0.53 0.56 0.00 -1.51 0.00 0.00 72.50 70.97 1rf6 s THR 152 CO 0.54 -0.20 1.93 1.17 -2.21 0.00 0.00 174.62 175.86 1rf6 n LYS 153 N 2.00 0.86 -2.66 7.08 3.00 -1.26 -3.83 118.16 123.35 1rf6 n LYS 153 Ca -0.19 -0.27 -0.26 0.00 -0.00 0.00 0.00 58.31 57.59 1rf6 n LYS 153 Cb 0.56 -1.49 -0.01 0.00 0.00 0.00 0.00 35.03 34.08 1rf6 n LYS 153 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1rf6 n ASN 154 N -0.84 4.43 -4.77 3.14 4.13 -1.26 -5.07 115.26 115.03 1rf6 n ASN 154 Ca 0.17 -3.66 -0.40 0.00 1.68 0.00 0.00 54.58 52.37 1rf6 n ASN 154 Cb 0.25 -0.50 0.01 0.00 -1.54 0.00 0.00 39.78 38.00 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 -3.48 4.14 -0.13 3.41 1.43 -1.25 -4.93 118.68 117.88 1rf6 s LEU 155 Ca 0.47 2.91 -0.02 0.00 -1.03 0.00 0.00 54.13 56.46 1rf6 s LEU 155 Cb 0.36 -3.91 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 1rf6 s LEU 155 CO -0.16 -1.12 -0.05 -0.60 0.23 0.00 0.00 176.35 174.65 1rf6 s ARG 156 N -2.40 3.36 0.64 1.70 6.06 -0.66 -3.66 118.95 123.99 1rf6 s ARG 156 Ca 0.60 -0.53 -0.17 0.00 -2.50 0.00 0.00 55.73 53.13 1rf6 s ARG 156 Cb -0.43 -2.80 -0.07 0.00 0.06 0.00 0.00 34.95 31.70 1rf6 s ARG 156 CO 0.56 0.39 0.44 -0.35 -2.50 0.00 0.00 175.30 173.84 1rf6 n PRO 157 N 3.08 0.38 -4.39 5.12 -0.04 -1.26 -4.53 135.00 133.35 1rf6 n PRO 157 Ca -0.18 0.16 -0.35 0.00 -0.04 0.00 0.00 63.50 63.09 1rf6 n PRO 157 Cb 0.53 -1.68 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 1rf6 n PRO 157 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1rf6 s ILE 158 N -1.82 4.20 -0.26 0.52 1.10 -1.26 -4.84 121.20 118.83 1rf6 s ILE 158 Ca 0.66 -0.28 0.01 0.00 -0.51 0.00 0.00 60.65 60.53 1rf6 s ILE 158 Cb -0.40 -2.78 0.07 0.00 0.15 0.00 0.00 42.46 39.50 1rf6 s ILE 158 CO 0.57 0.58 -0.02 -1.00 -2.11 0.00 0.00 174.94 172.97 1rf6 s HIS 159 N -0.67 2.61 -0.15 3.50 3.76 -1.26 -0.56 115.29 122.52 1rf6 s HIS 159 Ca 0.11 -2.02 -0.11 0.00 -0.15 0.00 0.00 55.06 52.89 1rf6 s HIS 159 Cb -0.12 -1.86 0.05 0.00 1.11 0.00 0.00 32.58 31.76 1rf6 s HIS 159 CO 0.02 -0.83 0.38 -0.47 -0.85 0.00 0.00 174.74 173.00 1rf6 s TYR 160 N 1.32 -0.49 -0.38 1.40 6.14 -0.78 -5.00 117.35 119.55 1rf6 s TYR 160 Ca -0.01 1.12 -0.12 0.00 0.64 0.00 0.00 57.07 58.70 1rf6 s TYR 160 Cb -0.19 0.19 0.02 0.00 0.42 0.00 0.00 41.96 42.40 1rf6 s TYR 160 CO -0.09 -0.27 0.23 -2.00 0.64 0.00 0.00 175.55 174.06 1rf6 s GLU 161 N 0.84 2.93 0.25 4.97 -6.30 -1.26 -1.53 118.70 118.60 1rf6 s GLU 161 Ca -0.05 -1.02 -0.31 0.00 -2.50 0.00 0.00 54.97 51.10 1rf6 s GLU 161 Cb -0.06 -3.79 -0.11 0.00 0.00 0.00 0.00 34.13 30.17 1rf6 s GLU 161 CO -0.06 -0.68 1.60 -0.51 0.02 0.00 0.00 175.26 175.62 1rf6 s LEU 162 N 1.60 4.36 0.44 2.70 1.02 -0.67 -4.91 118.68 123.22 1rf6 s LEU 162 Ca 0.03 2.86 0.23 0.00 0.02 0.00 0.00 54.13 57.27 1rf6 s LEU 162 Cb -0.19 -3.62 0.35 0.00 0.02 0.00 0.00 46.19 42.75 1rf6 s LEU 162 CO 0.08 -0.89 1.61 1.55 0.02 0.00 0.00 176.35 178.72 1rf6 h PRO 163 N 5.50 0.00 -5.41 1.29 0.13 -1.97 -3.36 132.00 128.19 1rf6 h PRO 163 Ca -0.46 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.26 1rf6 h PRO 163 Cb 1.21 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 1rf6 h PRO 163 CO 0.84 0.02 -0.75 0.96 -0.23 0.00 0.00 178.00 178.84 1rf6 s ILE 164 N -3.21 1.38 -1.22 -3.56 -0.00 -1.26 -5.00 121.20 108.32 1rf6 s ILE 164 Ca 0.07 -1.84 -0.14 0.00 -0.00 0.00 0.00 60.65 58.74 1rf6 s ILE 164 Cb 0.05 -1.65 -0.05 0.00 -0.00 0.00 0.00 42.46 40.81 1rf6 s ILE 164 CO 0.67 -0.48 2.26 0.00 -0.00 0.00 0.00 174.94 177.39 1rf6 n ALA 165 N 0.30 5.18 -3.28 2.27 0.00 -1.26 -4.56 120.51 119.17 1rf6 n ALA 165 Ca -0.14 -3.39 -0.35 0.00 0.00 0.00 0.00 53.44 49.56 1rf6 n ALA 165 Cb 0.58 -3.46 -0.13 0.00 0.00 0.00 0.00 19.45 16.43 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 3.54 4.54 0.27 0.00 0.15 -1.26 -4.89 113.70 116.04 1rf6 s SER 166 Ca 0.53 -0.30 0.13 0.00 0.70 0.00 0.00 55.95 57.01 1rf6 s SER 166 Cb 0.14 -1.77 0.24 0.00 -1.71 0.00 0.00 66.02 62.92 1rf6 s SER 166 CO -0.02 0.03 1.52 0.00 1.20 0.00 0.00 173.24 175.97 1rf6 h ALA 167 N 7.75 0.75 -0.20 5.45 0.00 -1.90 -3.07 119.26 128.04 1rf6 h ALA 167 Ca -0.38 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 53.95 1rf6 h ALA 167 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1rf6 h ALA 167 CO 0.60 0.76 0.01 1.96 0.00 0.00 0.00 179.25 182.58 1rf6 h GLN 168 N 0.00 0.34 -0.67 0.00 4.20 -1.94 0.78 115.11 117.83 1rf6 h GLN 168 Ca -0.01 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 1rf6 h GLN 168 Cb 1.28 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.00 1rf6 h GLN 168 CO 0.08 0.54 0.28 0.28 -0.67 0.00 0.00 178.83 179.34 1rf6 h VAL 169 N 0.11 1.24 -0.07 -0.54 2.07 -1.93 0.11 116.25 117.23 1rf6 h VAL 169 Ca 0.06 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.86 1rf6 h VAL 169 Cb 0.38 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1rf6 h VAL 169 CO 0.01 0.29 0.03 0.50 0.02 0.00 0.00 177.57 178.41 1rf6 h LYS 170 N 0.94 0.06 -0.29 1.57 3.64 -1.43 -2.02 116.57 119.04 1rf6 h LYS 170 Ca 0.22 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1rf6 h LYS 170 Cb 0.18 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1rf6 h LYS 170 CO -0.02 0.04 0.19 0.77 -2.27 0.00 0.00 179.45 178.16 1rf6 h SER 171 N 0.06 0.32 -0.63 4.20 0.02 -0.44 -0.40 113.55 116.69 1rf6 h SER 171 Ca 0.03 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1rf6 h SER 171 Cb 0.01 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 1rf6 h SER 171 CO -0.03 0.23 0.37 0.00 -1.14 0.00 0.00 176.83 176.26 1rf6 h ALA 172 N 1.11 0.83 -0.38 3.77 0.00 -0.67 -0.75 119.26 123.18 1rf6 h ALA 172 Ca 0.11 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1rf6 h ALA 172 Cb -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1rf6 h ALA 172 CO -0.03 0.08 -0.21 -0.07 0.00 0.00 0.00 179.25 179.02 1rf6 h LEU 173 N 0.71 0.75 -0.45 0.00 4.07 -1.09 -1.81 115.31 117.49 1rf6 h LEU 173 Ca 0.27 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1rf6 h LEU 173 Cb 0.10 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 1rf6 h LEU 173 CO -0.14 0.95 0.23 0.24 -1.08 0.00 0.00 178.44 178.64 1rf6 h MET 174 N 0.65 0.64 -0.52 1.13 2.86 -0.37 0.13 114.93 119.45 1rf6 h MET 174 Ca 0.09 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1rf6 h MET 174 Cb 0.71 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1rf6 h MET 174 CO 0.05 0.53 0.14 0.74 1.06 0.00 0.00 176.91 179.44 1rf6 h PHE 175 N 0.59 0.80 -0.43 -0.22 0.05 -0.96 -2.08 116.94 114.70 1rf6 h PHE 175 Ca 0.16 -0.06 -0.14 0.00 3.82 0.00 0.00 57.97 61.74 1rf6 h PHE 175 Cb 0.09 -0.24 -0.01 0.00 2.00 0.00 0.00 35.95 37.80 1rf6 h PHE 175 CO -0.01 0.66 -0.30 0.00 -0.18 0.00 0.00 178.31 178.48 1rf6 h ALA 176 N 1.40 0.66 -0.20 2.45 0.00 -0.83 -3.05 119.26 119.69 1rf6 h ALA 176 Ca 0.17 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1rf6 h ALA 176 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1rf6 h ALA 176 CO -0.01 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 179.90 1rf6 h ALA 177 N 0.86 1.60 0.00 0.00 0.00 -0.21 -1.85 119.26 119.65 1rf6 h ALA 177 Ca 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1rf6 h ALA 177 Cb 0.88 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1rf6 h ALA 177 CO 0.08 0.30 -0.01 -0.07 0.00 0.00 0.00 179.25 179.55 1rf6 h LEU 178 N 0.29 0.00 0.00 0.00 4.07 -1.27 -2.32 115.31 116.08 1rf6 h LEU 178 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1rf6 h LEU 178 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1rf6 h LEU 178 CO 0.01 0.01 -1.26 0.00 -1.08 0.00 0.00 178.44 176.12 1rf6 n GLN 179 N -3.78 0.93 -2.10 1.13 6.02 -0.75 -1.03 117.38 117.80 1rf6 n GLN 179 Ca -0.03 -0.07 -0.32 0.00 -0.01 0.00 0.00 57.00 56.57 1rf6 n GLN 179 Cb 0.10 -1.37 -0.00 0.00 1.02 0.00 0.00 30.24 29.98 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 -2.91 2.93 -0.56 -1.58 0.00 -0.87 -4.65 121.76 114.11 1rf6 s ALA 180 Ca 0.01 0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.99 1rf6 s ALA 180 Cb 0.12 -3.15 0.14 0.00 0.00 0.00 0.00 23.12 20.23 1rf6 s ALA 180 CO 0.73 -0.60 0.51 0.15 0.00 0.00 0.00 175.76 176.55 1rf6 s LYS 181 N -4.40 3.01 0.00 0.00 3.01 -1.24 -1.46 119.74 118.67 1rf6 s LYS 181 Ca 0.59 -1.79 0.00 0.00 -1.01 0.00 0.00 55.97 53.77 1rf6 s LYS 181 Cb -0.12 -4.29 0.00 0.00 -1.01 0.00 0.00 37.83 32.41 1rf6 s LYS 181 CO 0.40 -1.32 0.00 0.41 0.51 0.00 0.00 175.35 175.35 1rf6 n GLY 182 N 5.11 1.00 3.67 -3.33 0.00 -0.26 -4.48 105.19 106.89 1rf6 n GLY 182 Ca -0.11 -1.98 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.15 4.21 0.06 1.61 2.12 -1.26 -1.30 118.70 122.99 1rf6 s GLU 183 Ca 0.00 0.47 0.02 0.00 0.36 0.00 0.00 54.97 55.82 1rf6 s GLU 183 Cb 0.00 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 1rf6 s GLU 183 CO 0.00 -0.14 0.08 -1.12 -0.54 0.00 0.00 175.26 173.53 1rf6 s SER 184 N 1.12 5.55 -0.13 -1.70 0.01 0.31 -4.62 113.70 114.24 1rf6 s SER 184 Ca 0.25 0.03 -0.02 0.00 1.31 0.00 0.00 55.95 57.53 1rf6 s SER 184 Cb -0.16 -1.51 0.04 0.00 0.21 0.00 0.00 66.02 64.60 1rf6 s SER 184 CO 0.10 0.20 -0.00 -0.69 0.41 0.00 0.00 173.24 173.26 1rf6 s VAL 185 N -1.33 0.60 -0.18 3.43 1.01 0.28 -1.24 120.40 122.97 1rf6 s VAL 185 Ca 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1rf6 s VAL 185 Cb -0.12 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1rf6 s VAL 185 CO 0.19 0.08 -0.11 -0.63 0.00 0.00 0.00 175.10 174.64 1rf6 s ILE 186 N 1.85 2.99 -0.19 2.22 1.01 0.62 -1.87 121.20 127.83 1rf6 s ILE 186 Ca 0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 1rf6 s ILE 186 Cb -0.14 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 1rf6 s ILE 186 CO -0.07 0.49 -0.09 -0.63 0.00 0.00 0.00 174.94 174.64 1rf6 s ILE 187 N 0.99 3.10 0.30 2.92 1.01 -0.58 0.20 121.20 129.14 1rf6 s ILE 187 Ca -0.01 -0.60 -0.28 0.00 0.00 0.00 0.00 60.65 59.76 1rf6 s ILE 187 Cb -0.15 -2.37 -0.09 0.00 0.01 0.00 0.00 42.46 39.86 1rf6 s ILE 187 CO -0.01 0.47 1.01 -1.61 0.00 0.00 0.00 174.94 174.80 1rf6 s GLU 188 N 1.09 4.58 0.14 2.79 2.02 0.25 -1.67 118.70 127.90 1rf6 s GLU 188 Ca 0.01 1.56 -0.06 0.00 0.02 0.00 0.00 54.97 56.49 1rf6 s GLU 188 Cb -0.15 -2.99 -0.06 0.00 0.10 0.00 0.00 34.13 31.03 1rf6 s GLU 188 CO -0.02 0.23 1.34 -0.22 0.02 0.00 0.00 175.26 176.62 1rf6 h LYS 189 N 3.48 0.53 -2.84 1.61 1.63 -1.80 -3.46 116.57 115.72 1rf6 h LYS 189 Ca -0.47 -0.48 -0.09 0.00 -0.85 0.00 0.00 60.65 58.76 1rf6 h LYS 189 Cb 1.20 0.11 -0.18 0.00 -0.60 0.00 0.00 32.23 32.77 1rf6 h LYS 189 CO 0.66 1.11 -0.12 -2.00 -3.45 0.00 0.00 179.45 175.65 1rf6 s GLU 190 N -3.53 0.85 0.10 1.90 2.56 -1.26 -5.00 118.70 114.31 1rf6 s GLU 190 Ca -0.07 -0.18 -0.31 0.00 0.00 0.00 0.00 54.97 54.41 1rf6 s GLU 190 Cb 0.09 0.38 -0.09 0.00 2.00 0.00 0.00 34.13 36.51 1rf6 s GLU 190 CO 0.87 -0.27 1.78 0.71 -0.56 0.00 0.00 175.26 177.79 1rf6 s TYR 191 N -1.78 2.17 0.36 5.30 1.51 -1.26 -4.83 117.35 118.82 1rf6 s TYR 191 Ca -0.10 0.06 0.09 0.00 -1.01 0.00 0.00 57.07 56.11 1rf6 s TYR 191 Cb -0.02 -4.11 -0.07 0.00 -0.11 0.00 0.00 41.96 37.65 1rf6 s TYR 191 CO 0.03 -4.57 -0.07 0.95 -1.11 0.00 0.00 175.55 170.78 1rf6 s THR 192 N 2.86 2.20 0.09 -0.71 -4.23 -1.26 -4.67 115.64 109.91 1rf6 s THR 192 Ca 0.79 -2.15 -0.36 0.00 -1.18 0.00 0.00 61.69 58.79 1rf6 s THR 192 Cb -0.43 -2.74 -0.17 0.00 1.34 0.00 0.00 72.50 70.49 1rf6 s THR 192 CO 0.35 -0.15 1.19 -2.11 -0.54 0.00 0.00 174.62 173.36 1rf6 n ARG 193 N -0.84 0.80 -1.19 3.99 1.85 -1.26 -4.86 116.66 115.15 1rf6 n ARG 193 Ca -0.05 0.29 -0.22 0.00 -1.00 0.00 0.00 57.85 56.87 1rf6 n ARG 193 Cb 0.64 -1.83 0.17 0.00 -1.05 0.00 0.00 32.46 30.40 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 2.12 3.88 -0.24 2.89 6.94 -1.26 -4.70 115.26 124.89 1rf6 n ASN 194 Ca 0.18 -3.65 -0.01 0.00 -0.02 0.00 0.00 54.58 51.08 1rf6 n ASN 194 Cb 0.18 -0.82 0.21 0.00 -2.36 0.00 0.00 39.78 36.99 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 1.09 1.00 -0.79 -2.53 3.86 -1.98 -1.76 115.15 114.04 1rf6 h HIS 195 Ca 0.58 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.77 1rf6 h HIS 195 Cb 2.53 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 30.63 1rf6 h HIS 195 CO 1.50 0.66 0.43 1.15 0.86 0.00 0.00 177.93 182.54 1rf6 h THR 196 N 1.06 1.24 -0.17 2.45 2.02 -1.96 -0.56 112.91 116.98 1rf6 h THR 196 Ca 0.28 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1rf6 h THR 196 Cb -0.06 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1rf6 h THR 196 CO -0.05 0.26 0.06 -0.33 0.37 0.00 0.00 175.52 175.84 1rf6 h GLU 197 N 1.10 0.25 0.09 6.66 3.07 -1.75 -0.20 114.58 123.80 1rf6 h GLU 197 Ca 0.28 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.09 1rf6 h GLU 197 Cb 0.04 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1rf6 h GLU 197 CO -0.04 0.34 -0.04 -0.44 -1.40 0.00 0.00 179.01 177.42 1rf6 h ASP 198 N 0.11 -0.11 0.62 1.42 3.45 -1.10 -2.94 116.42 117.88 1rf6 h ASP 198 Ca 0.06 -0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.45 1rf6 h ASP 198 Cb 0.18 0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 1rf6 h ASP 198 CO -0.00 -0.07 -0.31 0.24 -1.57 0.00 0.00 179.24 177.53 1rf6 h MET 199 N -0.13 0.00 -0.44 3.56 2.86 -1.09 -2.26 114.93 117.42 1rf6 h MET 199 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1rf6 h MET 199 Cb 0.10 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1rf6 h MET 199 CO 0.02 0.31 0.24 1.25 1.06 0.00 0.00 176.91 179.79 1rf6 h LEU 200 N 0.00 0.55 -0.69 1.22 5.85 -0.85 -1.30 115.31 120.09 1rf6 h LEU 200 Ca -0.00 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 1rf6 h LEU 200 Cb 0.70 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1rf6 h LEU 200 CO 0.04 0.47 0.04 1.56 -0.34 0.00 0.00 178.44 180.22 1rf6 h GLN 201 N 0.58 1.06 -0.22 1.25 4.20 -1.40 0.10 115.11 120.67 1rf6 h GLN 201 Ca 0.16 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1rf6 h GLN 201 Cb 0.04 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1rf6 h GLN 201 CO -0.03 1.01 0.08 0.37 -0.67 0.00 0.00 178.83 179.59 1rf6 h GLN 202 N 0.98 0.30 -0.79 1.46 4.15 -0.99 -1.86 115.11 118.35 1rf6 h GLN 202 Ca 0.18 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.52 1rf6 h GLN 202 Cb 0.50 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 1rf6 h GLN 202 CO 0.02 0.26 0.06 1.19 -1.93 0.00 0.00 178.83 178.44 1rf6 n PHE 203 N -4.44 1.35 -0.94 3.99 3.01 -0.53 -4.87 117.46 115.04 1rf6 n PHE 203 Ca 0.00 -0.58 0.00 0.00 1.01 0.00 0.00 57.45 57.89 1rf6 n PHE 203 Cb 0.13 -0.40 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 0.23 0.72 3.93 1.37 0.00 -0.70 -1.55 105.19 109.20 1rf6 n GLY 204 Ca 0.20 0.00 -0.28 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 -1.97 1.73 0.02 -0.02 0.00 0.32 -4.92 107.32 102.48 1rf6 s GLY 205 Ca 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.61 1rf6 s GLY 205 CO 0.00 -0.50 -0.06 -1.58 0.00 0.00 0.00 173.10 170.97 1rf6 s HIS 206 N -3.62 0.49 0.25 1.90 2.46 -1.26 -4.22 115.29 111.28 1rf6 s HIS 206 Ca 0.68 -0.35 -0.21 0.00 0.47 0.00 0.00 55.06 55.65 1rf6 s HIS 206 Cb -0.06 -0.31 0.03 0.00 -0.13 0.00 0.00 32.58 32.11 1rf6 s HIS 206 CO 0.50 -0.07 0.68 -0.48 -2.47 0.00 0.00 174.74 172.89 1rf6 s LEU 207 N -1.04 -0.30 -0.11 8.88 2.34 -1.26 -4.58 118.68 122.61 1rf6 s LEU 207 Ca -0.07 -0.48 -0.00 0.00 0.06 0.00 0.00 54.13 53.64 1rf6 s LEU 207 Cb -0.07 2.65 0.02 0.00 -0.56 0.00 0.00 46.19 48.23 1rf6 s LEU 207 CO -0.00 -1.25 -0.09 -0.55 -1.06 0.00 0.00 176.35 173.41 1rf6 s SER 208 N -2.88 2.18 -0.22 1.48 0.15 -0.01 -4.98 113.70 109.41 1rf6 s SER 208 Ca 0.09 -0.32 -0.04 0.00 0.70 0.00 0.00 55.95 56.38 1rf6 s SER 208 Cb -0.05 -0.86 -0.01 0.00 -1.71 0.00 0.00 66.02 63.39 1rf6 s SER 208 CO 0.02 -0.10 -0.02 -0.69 1.20 0.00 0.00 173.24 173.65 1rf6 s VAL 209 N 1.59 3.61 -0.49 4.45 1.01 -1.26 -0.22 120.40 129.08 1rf6 s VAL 209 Ca 0.03 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1rf6 s VAL 209 Cb -0.13 -2.64 0.15 0.00 0.00 0.00 0.00 36.38 33.75 1rf6 s VAL 209 CO -0.07 0.41 0.30 -0.62 0.00 0.00 0.00 175.10 175.12 1rf6 s ASP 210 N 1.38 3.64 -0.04 3.32 3.68 0.03 -4.99 116.67 123.70 1rf6 s ASP 210 Ca 0.05 -2.95 -0.04 0.00 2.13 0.00 0.00 52.55 51.74 1rf6 s ASP 210 Cb -0.14 -1.13 0.01 0.00 -1.45 0.00 0.00 42.92 40.20 1rf6 s ASP 210 CO -0.01 -0.22 0.06 0.61 0.13 0.00 0.00 175.17 175.74 1rf6 n GLY 211 N 3.11 0.02 4.08 2.66 0.00 -1.26 -1.99 105.19 111.81 1rf6 n GLY 211 Ca 0.13 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.92 0.00 -3.41 1.61 5.02 -1.26 -4.96 118.16 116.08 1rf6 n LYS 212 Ca -0.01 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.90 1rf6 n LYS 212 Cb 0.37 -0.16 -0.08 0.00 -0.02 0.00 0.00 35.03 35.15 1rf6 n LYS 212 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1rf6 s LYS 213 N 0.00 4.11 -0.17 1.97 -2.85 -0.84 -0.58 119.74 121.37 1rf6 s LYS 213 Ca 0.00 0.10 -0.01 0.00 -1.00 0.00 0.00 55.97 55.06 1rf6 s LYS 213 Cb 0.00 -3.58 -0.00 0.00 -2.06 0.00 0.00 37.83 32.19 1rf6 s LYS 213 CO 0.00 -0.11 -0.11 0.42 0.10 0.00 0.00 175.35 175.64 1rf6 s ILE 214 N 1.55 2.94 -0.15 3.79 1.01 0.13 -0.79 121.20 129.69 1rf6 s ILE 214 Ca 0.17 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 1rf6 s ILE 214 Cb -0.15 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1rf6 s ILE 214 CO 0.08 0.49 -0.04 -0.89 0.00 0.00 0.00 174.94 174.58 1rf6 s THR 215 N 0.98 3.87 -0.09 2.92 2.01 0.70 -0.27 115.64 125.75 1rf6 s THR 215 Ca -0.02 -0.37 -0.00 0.00 0.31 0.00 0.00 61.69 61.61 1rf6 s THR 215 Cb -0.15 -2.69 0.03 0.00 0.01 0.00 0.00 72.50 69.70 1rf6 s THR 215 CO -0.01 0.50 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.68 1rf6 s VAL 216 N 0.34 0.72 0.02 3.82 1.01 -0.38 -0.83 120.40 125.09 1rf6 s VAL 216 Ca -0.04 -0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 1rf6 s VAL 216 Cb -0.14 -0.79 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 1rf6 s VAL 216 CO 0.03 0.31 0.44 -1.58 0.00 0.00 0.00 175.10 174.30 1rf6 s GLN 217 N 1.68 3.97 0.11 2.72 2.00 -1.26 -0.53 119.66 128.34 1rf6 s GLN 217 Ca 0.02 0.47 0.02 0.00 -2.00 0.00 0.00 55.36 53.87 1rf6 s GLN 217 Cb -0.13 -3.22 -0.04 0.00 0.80 0.00 0.00 33.01 30.42 1rf6 s GLN 217 CO -0.06 0.68 -0.06 0.20 -0.50 0.00 0.00 175.29 175.56 1rf6 s GLY 218 N -1.10 0.84 0.56 2.59 0.00 -0.42 -4.50 107.32 105.28 1rf6 s GLY 218 Ca 0.25 -1.39 -0.14 0.00 0.00 0.00 0.00 44.72 43.45 1rf6 s GLY 218 CO 0.15 -1.47 1.00 2.56 0.00 0.00 0.00 173.10 175.33 1rf6 s PRO 219 N -3.84 3.78 0.21 2.90 0.04 -0.53 -1.10 135.00 136.45 1rf6 s PRO 219 Ca 0.14 0.84 0.09 0.00 0.04 0.00 0.00 61.00 62.10 1rf6 s PRO 219 Cb 0.05 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1rf6 s PRO 219 CO -0.03 -0.40 -0.16 -0.65 0.04 0.00 0.00 177.00 175.79 1rf6 s GLN 220 N -4.58 1.37 -0.07 4.56 -0.21 -0.20 -5.00 119.66 115.53 1rf6 s GLN 220 Ca 0.57 -1.57 0.05 0.00 0.02 0.00 0.00 55.36 54.42 1rf6 s GLN 220 Cb -0.10 -1.27 -0.01 0.00 1.00 0.00 0.00 33.01 32.62 1rf6 s GLN 220 CO 0.42 0.23 -0.23 0.15 -2.12 0.00 0.00 175.29 173.74 1rf6 s LYS 221 N -3.42 2.74 0.24 2.91 3.01 -1.26 -4.83 119.74 119.13 1rf6 s LYS 221 Ca 0.22 -0.86 0.09 0.00 -1.01 0.00 0.00 55.97 54.41 1rf6 s LYS 221 Cb -0.03 -2.26 -0.04 0.00 -1.01 0.00 0.00 37.83 34.49 1rf6 s LYS 221 CO 0.08 0.34 -0.05 -0.51 0.51 0.00 0.00 175.35 175.72 1rf6 s LEU 222 N -0.04 3.08 -0.07 3.17 1.43 -1.26 -4.64 118.68 120.35 1rf6 s LEU 222 Ca -0.07 -0.65 0.05 0.00 -1.03 0.00 0.00 54.13 52.44 1rf6 s LEU 222 Cb -0.15 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 1rf6 s LEU 222 CO 0.05 0.04 -0.23 -0.89 0.23 0.00 0.00 176.35 175.55 1rf6 s THR 223 N -2.14 1.90 0.53 5.49 2.01 -0.60 0.02 115.64 122.86 1rf6 s THR 223 Ca 0.29 -0.96 -0.21 0.00 0.31 0.00 0.00 61.69 61.12 1rf6 s THR 223 Cb -0.07 -1.62 -0.07 0.00 0.01 0.00 0.00 72.50 70.74 1rf6 s THR 223 CO 0.18 0.53 0.94 0.61 -0.69 0.00 0.00 174.62 176.19 1rf6 n GLY 224 N 3.16 -0.38 3.29 4.40 0.00 0.26 -4.66 105.19 111.27 1rf6 n GLY 224 Ca -0.18 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.42 1.42 -0.22 1.61 -1.52 -1.21 -4.84 119.66 112.47 1rf6 s GLN 225 Ca 0.70 -1.78 -0.10 0.00 -1.95 0.00 0.00 55.36 52.24 1rf6 s GLN 225 Cb -0.47 -0.07 -0.05 0.00 -0.22 0.00 0.00 33.01 32.20 1rf6 s GLN 225 CO 0.51 -0.37 0.13 0.21 -0.25 0.00 0.00 175.29 175.53 1rf6 s LYS 226 N -3.99 4.07 -0.11 2.91 2.20 -1.26 -1.14 119.74 122.42 1rf6 s LYS 226 Ca 0.38 -0.28 0.02 0.00 -0.36 0.00 0.00 55.97 55.73 1rf6 s LYS 226 Cb 0.07 -3.45 0.01 0.00 -1.51 0.00 0.00 37.83 32.95 1rf6 s LYS 226 CO 0.15 0.15 -0.17 0.14 -0.36 0.00 0.00 175.35 175.25 1rf6 s VAL 227 N 0.79 1.63 -0.33 4.02 -7.23 0.10 -4.94 120.40 114.45 1rf6 s VAL 227 Ca 0.07 -0.74 -0.09 0.00 -1.81 0.00 0.00 61.98 59.41 1rf6 s VAL 227 Cb -0.13 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.36 1rf6 s VAL 227 CO 0.02 0.47 0.15 -0.69 -0.31 0.00 0.00 175.10 174.74 1rf6 s VAL 228 N 0.80 4.45 -0.19 1.32 1.01 -1.26 -0.38 120.40 126.15 1rf6 s VAL 228 Ca -0.10 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.01 1rf6 s VAL 228 Cb -0.16 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1rf6 s VAL 228 CO 0.01 -0.02 0.85 -0.69 0.00 0.00 0.00 175.10 175.25 1rf6 s VAL 229 N 1.57 4.85 0.71 2.92 1.01 -0.70 -4.98 120.40 125.78 1rf6 s VAL 229 Ca 0.03 1.66 -0.11 0.00 0.00 0.00 0.00 61.98 63.56 1rf6 s VAL 229 Cb -0.18 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1rf6 s VAL 229 CO 0.06 -0.01 1.10 -2.16 0.00 0.00 0.00 175.10 174.09 1rf6 s PRO 230 N 2.37 2.79 0.60 2.72 0.04 -1.26 -4.74 135.00 137.51 1rf6 s PRO 230 Ca 0.38 0.44 -0.19 0.00 0.04 0.00 0.00 61.00 61.67 1rf6 s PRO 230 Cb -0.16 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1rf6 s PRO 230 CO 0.11 -1.08 1.23 0.20 0.04 0.00 0.00 177.00 177.50 1rf6 s GLY 231 N -4.37 2.77 -0.19 0.56 0.00 0.67 -0.42 107.32 106.34 1rf6 s GLY 231 Ca 0.58 1.06 -0.29 0.00 0.00 0.00 0.00 44.72 46.08 1rf6 s GLY 231 CO 0.52 1.46 1.00 -0.35 0.00 0.00 0.00 173.10 175.73 1rf6 s ASP 232 N -1.52 7.12 0.45 1.64 3.68 -0.65 -1.02 116.67 126.37 1rf6 s ASP 232 Ca 0.78 1.39 0.22 0.00 2.13 0.00 0.00 52.55 57.06 1rf6 s ASP 232 Cb -0.32 -2.53 1.05 0.00 -1.45 0.00 0.00 42.92 39.67 1rf6 s ASP 232 CO 0.35 -0.57 1.92 -0.29 0.13 0.00 0.00 175.17 176.71 1rf6 h ILE 233 N 5.31 0.80 -0.15 4.11 2.10 -1.92 -0.77 117.51 126.99 1rf6 h ILE 233 Ca -0.24 -0.97 -0.07 0.00 1.08 0.00 0.00 64.86 64.66 1rf6 h ILE 233 Cb 1.10 1.59 -0.01 0.00 -1.09 0.00 0.00 36.82 38.40 1rf6 h ILE 233 CO 0.92 0.24 -0.21 0.28 -1.08 0.00 0.00 178.15 178.30 1rf6 h SER 234 N 0.00 0.25 0.37 2.19 0.02 -1.91 0.23 113.55 114.70 1rf6 h SER 234 Ca -0.00 -0.07 -0.32 0.00 -0.84 0.00 0.00 61.79 60.56 1rf6 h SER 234 Cb 0.57 -0.07 0.03 0.00 0.14 0.00 0.00 62.40 63.07 1rf6 h SER 234 CO 0.03 0.48 -1.43 0.28 -1.14 0.00 0.00 176.83 175.05 1rf6 h SER 235 N 0.24 0.71 -0.01 3.07 0.02 -1.73 -3.25 113.55 112.60 1rf6 h SER 235 Ca 0.04 -0.77 -0.05 0.00 -0.84 0.00 0.00 61.79 60.17 1rf6 h SER 235 Cb 0.51 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1rf6 h SER 235 CO 0.03 1.61 -0.11 0.00 -1.14 0.00 0.00 176.83 177.22 1rf6 h ALA 236 N 0.29 1.52 -0.93 3.77 0.00 -0.75 -2.90 119.26 120.25 1rf6 h ALA 236 Ca -0.23 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 54.71 1rf6 h ALA 236 Cb 2.11 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.74 1rf6 h ALA 236 CO 0.25 0.35 0.62 0.00 0.00 0.00 0.00 179.25 180.47 1rf6 h ALA 237 N 1.65 2.30 -0.31 0.00 0.00 -0.60 0.18 119.26 122.48 1rf6 h ALA 237 Ca 0.05 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1rf6 h ALA 237 Cb 0.35 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1rf6 h ALA 237 CO 0.02 -0.60 -0.06 0.74 0.00 0.00 0.00 179.25 179.35 1rf6 h PHE 238 N 0.35 0.52 0.05 0.00 -1.00 -1.67 -1.83 116.94 113.36 1rf6 h PHE 238 Ca 0.49 -0.06 -0.26 0.00 2.81 0.00 0.00 57.97 60.95 1rf6 h PHE 238 Cb 1.31 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 40.70 1rf6 h PHE 238 CO -0.00 0.55 -1.29 -1.49 -1.61 0.00 0.00 178.31 174.47 1rf6 h TRP 239 N 0.47 0.18 -0.28 -0.55 -0.00 -0.92 -2.35 115.95 112.50 1rf6 h TRP 239 Ca 0.10 -0.13 0.02 0.00 -0.00 0.00 0.00 58.89 58.87 1rf6 h TRP 239 Cb 0.40 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.16 29.53 1rf6 h TRP 239 CO 0.01 1.13 0.15 -0.07 -0.00 0.00 0.00 178.44 179.66 1rf6 h LEU 240 N 0.03 0.23 -0.35 -4.49 3.38 -0.67 -0.78 115.31 112.65 1rf6 h LEU 240 Ca -0.13 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1rf6 h LEU 240 Cb 1.90 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 1rf6 h LEU 240 CO 0.14 0.17 -0.21 0.58 0.09 0.00 0.00 178.44 179.21 1rf6 h VAL 241 N 0.31 1.29 -0.22 1.22 2.07 -1.41 -2.85 116.25 116.65 1rf6 h VAL 241 Ca 0.11 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.32 1rf6 h VAL 241 Cb 0.02 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1rf6 h VAL 241 CO -0.07 0.44 0.02 0.00 0.02 0.00 0.00 177.57 177.99 1rf6 h ALA 242 N 0.77 0.21 -0.86 1.67 0.00 -1.22 0.14 119.26 119.97 1rf6 h ALA 242 Ca 0.07 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1rf6 h ALA 242 Cb 0.77 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1rf6 h ALA 242 CO 0.06 -0.40 0.57 0.78 0.00 0.00 0.00 179.25 180.25 1rf6 h GLY 243 N 0.10 1.24 1.38 0.00 0.00 -1.11 0.15 103.07 104.83 1rf6 h GLY 243 Ca 0.10 -0.40 -0.24 0.00 0.00 0.00 0.00 47.33 46.79 1rf6 h GLY 243 CO -0.15 0.31 -0.98 1.41 0.00 0.00 0.00 176.54 177.13 1rf6 h LEU 244 N 1.01 0.72 0.22 3.11 3.38 -1.20 -0.72 115.31 121.83 1rf6 h LEU 244 Ca 0.36 -0.57 -0.31 0.00 0.09 0.00 0.00 57.88 57.45 1rf6 h LEU 244 Cb 0.15 -0.22 0.03 0.00 0.09 0.00 0.00 40.66 40.70 1rf6 h LEU 244 CO -0.12 1.37 -1.38 0.40 0.09 0.00 0.00 178.44 178.80 1rf6 h ILE 245 N 0.32 1.27 -4.09 1.22 5.03 -0.30 -2.02 117.51 118.94 1rf6 h ILE 245 Ca -0.10 -2.62 -0.45 0.00 -0.12 0.00 0.00 64.86 61.56 1rf6 h ILE 245 Cb 1.62 3.03 -0.01 0.00 -3.03 0.00 0.00 36.82 38.43 1rf6 h ILE 245 CO 0.18 0.79 0.35 0.00 -0.68 0.00 0.00 178.15 178.80 1rf6 s ALA 246 N -2.55 3.02 0.58 1.87 0.00 0.50 -4.95 121.76 120.22 1rf6 s ALA 246 Ca -0.11 0.39 -0.17 0.00 0.00 0.00 0.00 51.96 52.07 1rf6 s ALA 246 Cb 0.04 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1rf6 s ALA 246 CO 0.90 -0.01 1.08 -1.25 0.00 0.00 0.00 175.76 176.48 1rf6 s PRO 247 N -3.35 3.28 -1.46 0.00 0.04 -1.26 -3.97 135.00 128.29 1rf6 s PRO 247 Ca 0.62 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 62.96 1rf6 s PRO 247 Cb -0.10 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1rf6 s PRO 247 CO 0.17 -0.86 0.23 0.09 0.04 0.00 0.00 177.00 176.67 1rf6 n ASN 248 N -1.82 -0.18 -4.49 6.66 3.02 -1.26 -4.06 115.26 113.13 1rf6 n ASN 248 Ca 0.10 -1.19 -0.30 0.00 -0.03 0.00 0.00 54.58 53.16 1rf6 n ASN 248 Cb 0.52 -2.11 -0.11 0.00 -0.61 0.00 0.00 39.78 37.47 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 -4.26 3.91 -0.29 6.41 0.01 -1.25 -3.39 113.70 114.83 1rf6 s SER 249 Ca 0.07 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 56.84 1rf6 s SER 249 Cb -0.04 -0.58 0.17 0.00 0.21 0.00 0.00 66.02 65.79 1rf6 s SER 249 CO 0.96 0.19 0.46 -0.60 0.41 0.00 0.00 173.24 174.65 1rf6 s ARG 250 N -2.03 0.46 -0.09 12.44 6.06 -0.04 -1.95 118.95 133.80 1rf6 s ARG 250 Ca 0.18 0.20 0.01 0.00 -2.50 0.00 0.00 55.73 53.62 1rf6 s ARG 250 Cb -0.11 -0.17 -0.02 0.00 0.06 0.00 0.00 34.95 34.71 1rf6 s ARG 250 CO 0.10 -1.05 -0.11 -0.51 -2.50 0.00 0.00 175.30 171.23 1rf6 s LEU 251 N 2.58 2.88 -0.19 -0.88 1.43 0.17 -3.45 118.68 121.20 1rf6 s LEU 251 Ca 0.10 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1rf6 s LEU 251 Cb -0.12 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.49 1rf6 s LEU 251 CO -0.28 0.28 -0.14 0.68 0.23 0.00 0.00 176.35 177.12 1rf6 s VAL 252 N -0.33 2.59 -0.31 -1.59 -7.23 -1.00 -0.85 120.40 111.67 1rf6 s VAL 252 Ca 0.04 -0.77 -0.06 0.00 -1.81 0.00 0.00 61.98 59.38 1rf6 s VAL 252 Cb -0.13 -2.12 0.03 0.00 0.56 0.00 0.00 36.38 34.72 1rf6 s VAL 252 CO 0.02 0.50 0.07 -0.76 -0.31 0.00 0.00 175.10 174.62 1rf6 s LEU 253 N 1.27 3.98 0.39 1.32 1.43 0.14 -1.23 118.68 125.99 1rf6 s LEU 253 Ca 0.03 -0.96 -0.00 0.00 -1.03 0.00 0.00 54.13 52.17 1rf6 s LEU 253 Cb -0.14 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1rf6 s LEU 253 CO -0.08 -0.25 0.61 -1.10 0.23 0.00 0.00 176.35 175.77 1rf6 s GLN 254 N 1.42 3.39 -1.48 1.70 -0.21 -0.67 0.23 119.66 124.04 1rf6 s GLN 254 Ca -0.00 -0.30 -0.07 0.00 0.02 0.00 0.00 55.36 55.01 1rf6 s GLN 254 Cb -0.18 -2.60 0.05 0.00 1.00 0.00 0.00 33.01 31.28 1rf6 s GLN 254 CO 0.02 -0.00 0.69 -1.71 -2.12 0.00 0.00 175.29 172.17 1rf6 n ASN 255 N -1.92 -2.23 -4.68 5.90 5.15 -1.09 -4.37 115.26 112.03 1rf6 n ASN 255 Ca -0.03 -0.91 -0.37 0.00 -0.60 0.00 0.00 54.58 52.67 1rf6 n ASN 255 Cb 0.56 -3.41 -0.08 0.00 -0.53 0.00 0.00 39.78 36.32 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 -3.60 5.29 0.47 3.44 1.01 -0.03 -0.24 120.40 126.74 1rf6 s VAL 256 Ca 0.32 0.44 -0.24 0.00 0.00 0.00 0.00 61.98 62.50 1rf6 s VAL 256 Cb -0.17 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 1rf6 s VAL 256 CO 0.87 0.32 1.22 0.61 0.00 0.00 0.00 175.10 178.12 1rf6 n GLY 257 N 3.99 0.40 1.63 4.51 0.00 -0.19 -1.10 105.19 114.44 1rf6 n GLY 257 Ca -0.12 0.11 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1rf6 n GLY 257 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1rf6 n ILE 258 N -0.61 1.15 -1.68 -0.61 3.06 0.01 -4.53 119.36 116.15 1rf6 n ILE 258 Ca 0.09 -2.39 -0.43 0.00 -2.50 0.00 0.00 62.75 57.52 1rf6 n ILE 258 Cb 0.42 0.48 -0.03 0.00 0.54 0.00 0.00 39.64 41.04 1rf6 n ILE 258 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 1rf6 n ASN 259 N -0.30 3.99 0.17 9.51 2.85 -1.26 -4.85 115.26 125.37 1rf6 n ASN 259 Ca 0.14 0.98 0.17 0.00 -0.11 0.00 0.00 54.58 55.76 1rf6 n ASN 259 Cb 0.94 -1.53 0.64 0.00 1.24 0.00 0.00 39.78 41.07 1rf6 n ASN 259 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1rf6 h GLU 260 N 8.74 0.00 -0.22 1.20 3.07 -1.97 0.24 114.58 125.64 1rf6 h GLU 260 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1rf6 h GLU 260 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1rf6 h GLU 260 CO 0.94 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 178.80 1rf6 n THR 261 N -3.19 0.29 -0.77 1.13 -2.24 -1.26 -3.72 114.28 104.52 1rf6 n THR 261 Ca 0.05 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1rf6 n THR 261 Cb 0.71 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 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 0.20 -0.18 -0.63 -0.78 5.12 0.82 -4.04 116.66 117.16 1rf6 n ARG 262 Ca 0.11 -0.15 -0.01 0.00 -1.93 0.00 0.00 57.85 55.88 1rf6 n ARG 262 Cb 0.24 -0.62 0.22 0.00 -1.16 0.00 0.00 32.46 31.14 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 -0.01 1.92 -0.35 0.55 -2.24 -1.08 -4.56 114.28 108.52 1rf6 n THR 263 Ca 0.00 -0.97 0.12 0.00 -2.27 0.00 0.00 64.05 60.93 1rf6 n THR 263 Cb 0.21 -0.44 0.31 0.00 -2.10 0.00 0.00 70.33 68.30 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 3.79 1.76 2.00 3.38 0.00 -1.60 0.45 103.07 112.84 1rf6 h GLY 264 Ca 0.11 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1rf6 h GLY 264 CO 0.42 -0.02 -0.13 1.19 0.00 0.00 0.00 176.54 178.00 1rf6 h ILE 265 N 0.81 0.65 -0.16 2.60 2.10 -1.80 -2.28 117.51 119.43 1rf6 h ILE 265 Ca 0.56 -0.53 -0.02 0.00 1.08 0.00 0.00 64.86 65.95 1rf6 h ILE 265 Cb 0.82 1.33 -0.01 0.00 -1.09 0.00 0.00 36.82 37.88 1rf6 h ILE 265 CO -0.36 0.12 0.02 0.40 -1.08 0.00 0.00 178.15 177.25 1rf6 h ILE 266 N 0.00 1.23 -0.89 2.19 2.04 -1.26 -1.15 117.51 119.68 1rf6 h ILE 266 Ca -0.00 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.13 1rf6 h ILE 266 Cb 0.32 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 1rf6 h ILE 266 CO 0.02 0.23 0.58 0.44 0.00 0.00 0.00 178.15 179.41 1rf6 h ASP 267 N 0.04 0.96 -0.42 1.72 3.45 -1.38 -2.05 116.42 118.74 1rf6 h ASP 267 Ca 0.05 -0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.46 1rf6 h ASP 267 Cb 0.33 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.86 1rf6 h ASP 267 CO 0.00 0.66 0.11 0.58 -1.57 0.00 0.00 179.24 179.03 1rf6 h VAL 268 N 1.12 1.23 -0.84 -1.35 2.07 -1.22 -0.84 116.25 116.41 1rf6 h VAL 268 Ca 0.36 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1rf6 h VAL 268 Cb 0.00 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1rf6 h VAL 268 CO -0.12 0.27 0.55 0.40 0.02 0.00 0.00 177.57 178.69 1rf6 h ILE 269 N 0.54 1.18 -0.04 4.57 2.04 -0.86 -0.64 117.51 124.30 1rf6 h ILE 269 Ca 0.13 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1rf6 h ILE 269 Cb 0.29 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1rf6 h ILE 269 CO -0.00 0.20 0.02 0.03 0.00 0.00 0.00 178.15 178.40 1rf6 h ARG 270 N 1.10 0.07 -0.64 2.37 2.47 -1.17 0.18 114.38 118.76 1rf6 h ARG 270 Ca 0.32 -0.01 0.09 0.00 -1.26 0.00 0.00 59.98 59.11 1rf6 h ARG 270 Cb -0.07 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.20 1rf6 h ARG 270 CO -0.09 0.22 0.43 0.00 0.56 0.00 0.00 179.97 181.09 1rf6 h ALA 271 N 0.84 1.90 -0.00 0.04 0.00 -0.64 -1.10 119.26 120.29 1rf6 h ALA 271 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rf6 h ALA 271 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1rf6 h ALA 271 CO -0.00 -0.02 -0.19 -1.33 0.00 0.00 0.00 179.25 177.71 1rf6 n MET 272 N -4.48 0.28 -0.63 0.00 2.81 -0.29 -4.86 117.12 109.94 1rf6 n MET 272 Ca 0.10 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1rf6 n MET 272 Cb 0.32 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.41 0.66 3.80 3.03 0.00 -0.42 -1.11 105.19 112.56 1rf6 n GLY 273 Ca 0.10 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.59 2.35 -0.60 -0.02 0.00 -0.01 -4.66 107.32 101.79 1rf6 s GLY 274 Ca 0.00 0.50 -0.24 0.00 0.00 0.00 0.00 44.72 44.99 1rf6 s GLY 274 CO 0.00 0.82 0.95 0.54 0.00 0.00 0.00 173.10 175.41 1rf6 s LYS 275 N -3.56 3.24 -0.02 2.90 1.02 -1.26 -4.69 119.74 117.36 1rf6 s LYS 275 Ca 0.65 -0.49 0.05 0.00 0.02 0.00 0.00 55.97 56.21 1rf6 s LYS 275 Cb -0.16 -4.12 -0.01 0.00 -0.52 0.00 0.00 37.83 33.02 1rf6 s LYS 275 CO 0.26 -1.62 -0.17 -1.17 -0.92 0.00 0.00 175.35 171.72 1rf6 s LEU 276 N 4.02 2.00 -0.06 3.17 2.96 -1.26 -3.03 118.68 126.48 1rf6 s LEU 276 Ca 0.27 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1rf6 s LEU 276 Cb -0.14 -0.92 0.01 0.00 0.50 0.00 0.00 46.19 45.64 1rf6 s LEU 276 CO 0.16 0.20 -0.12 -0.70 -1.32 0.00 0.00 176.35 174.57 1rf6 s GLU 277 N -0.28 1.61 -0.32 1.98 2.12 -0.07 -4.98 118.70 118.75 1rf6 s GLU 277 Ca 0.04 -0.39 -0.05 0.00 0.36 0.00 0.00 54.97 54.93 1rf6 s GLU 277 Cb -0.08 -1.35 0.04 0.00 0.26 0.00 0.00 34.13 33.00 1rf6 s GLU 277 CO 0.00 0.03 0.07 0.42 -0.54 0.00 0.00 175.26 175.24 1rf6 s ILE 278 N 0.65 3.53 0.44 -3.70 1.01 -1.26 -0.82 121.20 121.05 1rf6 s ILE 278 Ca -0.14 -1.20 0.03 0.00 0.00 0.00 0.00 60.65 59.35 1rf6 s ILE 278 Cb -0.15 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 1rf6 s ILE 278 CO 0.03 -0.15 0.06 0.42 0.00 0.00 0.00 174.94 175.31 1rf6 s THR 279 N 1.36 1.01 -1.38 2.92 -4.23 -0.56 -4.87 115.64 109.89 1rf6 s THR 279 Ca -0.03 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.40 1rf6 s THR 279 Cb -0.19 -2.39 0.01 0.00 1.34 0.00 0.00 72.50 71.26 1rf6 s THR 279 CO 0.02 0.00 0.40 -0.62 -0.54 0.00 0.00 174.62 173.87 1rf6 n GLU 280 N -1.03 -1.86 -2.47 3.99 1.02 -1.26 -1.16 120.64 117.88 1rf6 n GLU 280 Ca -0.10 0.27 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 1rf6 n GLU 280 Cb 0.66 -3.89 -0.03 0.00 -0.02 0.00 0.00 31.44 28.16 1rf6 n GLU 280 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rf6 s ILE 281 N -3.94 4.19 -0.53 -3.67 1.01 -1.26 -4.12 121.20 112.88 1rf6 s ILE 281 Ca 0.15 1.57 -0.13 0.00 0.00 0.00 0.00 60.65 62.24 1rf6 s ILE 281 Cb -0.07 -4.01 0.13 0.00 0.01 0.00 0.00 42.46 38.53 1rf6 s ILE 281 CO 0.93 0.11 0.45 -0.62 0.00 0.00 0.00 174.94 175.81 1rf6 s ASP 282 N 1.10 6.01 0.66 3.58 -1.08 0.02 -4.96 116.67 122.00 1rf6 s ASP 282 Ca 0.57 -1.91 0.34 0.00 -0.52 0.00 0.00 52.55 51.04 1rf6 s ASP 282 Cb -0.28 -2.12 1.87 0.00 -1.46 0.00 0.00 42.92 40.93 1rf6 s ASP 282 CO 0.28 -0.77 2.06 -0.65 0.52 0.00 0.00 175.17 176.61 1rf6 h PRO 283 N 8.62 0.00 0.00 4.34 0.11 -1.95 -0.47 132.00 142.66 1rf6 h PRO 283 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1rf6 h PRO 283 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1rf6 h PRO 283 CO 0.95 0.00 -0.70 1.33 -0.21 0.00 0.00 178.00 179.37 1rf6 n VAL 284 N -3.00 1.25 0.28 3.15 0.24 -1.26 -4.40 118.33 114.59 1rf6 n VAL 284 Ca -0.02 0.22 0.10 0.00 -2.04 0.00 0.00 64.34 62.60 1rf6 n VAL 284 Cb 0.29 -2.24 0.47 0.00 -1.47 0.00 0.00 33.84 30.90 1rf6 n VAL 284 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rf6 n ALA 285 N -3.90 1.36 -3.28 2.33 0.00 -1.23 -4.88 120.51 110.90 1rf6 n ALA 285 Ca -0.10 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1rf6 n ALA 285 Cb 0.36 -1.31 0.03 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.12 -1.65 -4.09 0.00 5.02 -0.19 -4.85 118.16 110.28 1rf6 n LYS 286 Ca 0.01 1.05 -0.10 0.00 -2.02 0.00 0.00 58.31 57.24 1rf6 n LYS 286 Cb 0.13 -5.26 -0.09 0.00 -0.02 0.00 0.00 35.03 29.79 1rf6 n LYS 286 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1rf6 s SER 287 N -3.21 0.15 0.24 4.39 1.04 -1.17 -0.81 113.70 114.33 1rf6 s SER 287 Ca 0.24 -1.13 -0.20 0.00 0.48 0.00 0.00 55.95 55.34 1rf6 s SER 287 Cb -0.05 0.39 0.07 0.00 0.10 0.00 0.00 66.02 66.53 1rf6 s SER 287 CO 0.78 -0.85 0.98 0.00 0.98 0.00 0.00 173.24 175.13 1rf6 s ALA 288 N -4.05 -1.38 -0.18 5.32 0.00 -0.26 -0.80 121.76 120.41 1rf6 s ALA 288 Ca 0.26 -0.47 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 1rf6 s ALA 288 Cb 0.05 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 1rf6 s ALA 288 CO 0.05 -1.05 0.01 0.99 0.00 0.00 0.00 175.76 175.76 1rf6 s THR 289 N -2.12 4.22 -0.20 0.00 2.01 -0.31 -0.85 115.64 118.39 1rf6 s THR 289 Ca 0.21 -0.23 -0.04 0.00 0.31 0.00 0.00 61.69 61.94 1rf6 s THR 289 Cb -0.03 -2.89 -0.02 0.00 0.01 0.00 0.00 72.50 69.57 1rf6 s THR 289 CO 0.07 0.45 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.66 1rf6 s LEU 290 N 0.63 3.04 -0.15 4.42 1.02 0.13 -1.49 118.68 126.29 1rf6 s LEU 290 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 54.13 53.85 1rf6 s LEU 290 Cb -0.14 -1.77 -0.01 0.00 0.02 0.00 0.00 46.19 44.30 1rf6 s LEU 290 CO 0.02 0.04 -0.14 -0.63 0.02 0.00 0.00 176.35 175.65 1rf6 s ILE 291 N 1.15 2.80 0.19 -0.59 1.01 0.00 0.25 121.20 126.00 1rf6 s ILE 291 Ca 0.02 -0.73 0.09 0.00 0.00 0.00 0.00 60.65 60.03 1rf6 s ILE 291 Cb -0.15 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1rf6 s ILE 291 CO 0.00 0.51 -0.18 -0.69 0.00 0.00 0.00 174.94 174.58 1rf6 s VAL 292 N 0.71 1.93 -0.05 2.92 1.01 -0.03 -0.89 120.40 125.99 1rf6 s VAL 292 Ca -0.07 -2.03 -0.26 0.00 0.00 0.00 0.00 61.98 59.62 1rf6 s VAL 292 Cb -0.15 -1.95 0.06 0.00 0.00 0.00 0.00 36.38 34.33 1rf6 s VAL 292 CO 0.02 -0.35 0.58 -1.83 0.00 0.00 0.00 175.10 173.52 1rf6 s GLU 293 N -2.99 0.94 -0.15 2.72 -1.05 -1.17 -0.66 118.70 116.34 1rf6 s GLU 293 Ca 0.19 0.18 -0.23 0.00 -0.15 0.00 0.00 54.97 54.96 1rf6 s GLU 293 Cb -0.05 0.44 -0.10 0.00 -0.44 0.00 0.00 34.13 33.97 1rf6 s GLU 293 CO 0.08 -0.28 0.72 0.43 0.95 0.00 0.00 175.26 177.16 1rf6 n SER 294 N 1.13 0.36 -4.06 0.83 7.64 -0.27 -4.31 113.62 114.93 1rf6 n SER 294 Ca -0.19 0.62 -0.07 0.00 1.01 0.00 0.00 58.87 60.23 1rf6 n SER 294 Cb 0.57 -0.47 -0.10 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.90 0.44 -0.28 6.43 0.01 -0.76 -4.86 113.70 115.59 1rf6 s SER 295 Ca 0.52 -0.94 -0.11 0.00 1.31 0.00 0.00 55.95 56.73 1rf6 s SER 295 Cb -0.73 0.21 -0.05 0.00 0.21 0.00 0.00 66.02 65.65 1rf6 s SER 295 CO 0.37 -0.59 0.20 -1.81 0.41 0.00 0.00 173.24 171.82 1rf6 s ASP 296 N -2.83 6.04 0.30 2.44 -0.00 -1.26 -4.80 116.67 116.57 1rf6 s ASP 296 Ca 0.05 0.02 0.08 0.00 -0.00 0.00 0.00 52.55 52.71 1rf6 s ASP 296 Cb 0.07 -2.13 -0.04 0.00 -0.00 0.00 0.00 42.92 40.82 1rf6 s ASP 296 CO -0.10 -0.06 0.18 -0.76 -0.00 0.00 0.00 175.17 174.44 1rf6 s LEU 297 N 1.75 3.51 0.08 1.23 1.43 -1.26 -4.69 118.68 120.74 1rf6 s LEU 297 Ca 0.08 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 1rf6 s LEU 297 Cb -0.16 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1rf6 s LEU 297 CO 0.11 -0.20 -0.14 -1.59 0.23 0.00 0.00 176.35 174.76 1rf6 s LYS 298 N -3.87 0.88 1.05 1.70 -2.85 -0.27 -0.95 119.74 115.43 1rf6 s LYS 298 Ca 0.36 -1.03 -0.12 0.00 -1.00 0.00 0.00 55.97 54.18 1rf6 s LYS 298 Cb -0.06 -0.85 0.22 0.00 -2.06 0.00 0.00 37.83 35.08 1rf6 s LYS 298 CO 0.24 0.18 1.07 0.20 0.10 0.00 0.00 175.35 177.14 1rf6 s GLY 299 N -1.93 1.58 0.34 0.59 0.00 -0.91 -4.36 107.32 102.64 1rf6 s GLY 299 Ca 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 44.72 44.55 1rf6 s GLY 299 CO 0.02 0.59 0.73 -1.08 0.00 0.00 0.00 173.10 173.37 1rf6 s THR 300 N -2.64 0.00 -0.11 0.90 -1.32 -1.20 -4.82 115.64 106.45 1rf6 s THR 300 Ca 0.67 -1.06 -0.01 0.00 -1.21 0.00 0.00 61.69 60.07 1rf6 s THR 300 Cb -0.23 -2.56 -0.03 0.00 -1.51 0.00 0.00 72.50 68.18 1rf6 s THR 300 CO 0.61 0.00 -0.06 -0.70 -2.21 0.00 0.00 174.62 172.26 1rf6 s GLU 301 N -2.94 3.17 -0.23 7.08 2.12 -1.26 -1.66 118.70 124.98 1rf6 s GLU 301 Ca 0.15 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 54.96 1rf6 s GLU 301 Cb -0.05 -2.73 0.06 0.00 0.26 0.00 0.00 34.13 31.67 1rf6 s GLU 301 CO 0.11 0.47 -0.07 0.42 -0.54 0.00 0.00 175.26 175.64 1rf6 s ILE 302 N -0.28 1.64 0.13 -3.70 1.01 0.60 -4.96 121.20 115.64 1rf6 s ILE 302 Ca 0.04 -1.21 -0.05 0.00 0.00 0.00 0.00 60.65 59.43 1rf6 s ILE 302 Cb -0.13 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 40.53 1rf6 s ILE 302 CO 0.02 -0.02 0.26 0.00 0.00 0.00 0.00 174.94 175.20 1rf6 n GLY 304 N -0.18 0.00 5.00 0.00 0.00 -1.26 -2.74 105.19 106.02 1rf6 n GLY 304 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1rf6 n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf6 n ALA 305 N 0.00 0.00 0.12 4.61 0.00 -1.26 -4.30 120.51 119.68 1rf6 n ALA 305 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1rf6 n ALA 305 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 19.45 19.88 1rf6 n ALA 305 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rf6 h LEU 306 N 0.00 0.23 -0.15 0.00 5.85 -1.92 -3.29 115.31 116.03 1rf6 h LEU 306 Ca 0.00 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.73 1rf6 h LEU 306 Cb 0.00 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 40.90 1rf6 h LEU 306 CO 0.00 0.32 -0.38 0.40 -0.34 0.00 0.00 178.44 178.44 1rf6 h ILE 307 N 0.25 0.19 -0.11 4.05 1.08 -1.75 -0.89 117.51 120.33 1rf6 h ILE 307 Ca 0.06 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.56 1rf6 h ILE 307 Cb 0.25 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 34.18 1rf6 h ILE 307 CO 0.01 0.00 0.14 -0.65 -0.69 0.00 0.00 178.15 176.96 1rf6 h PRO 308 N -0.45 0.00 0.00 2.37 0.11 -1.85 0.81 132.00 133.00 1rf6 h PRO 308 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1rf6 h PRO 308 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1rf6 h PRO 308 CO -0.40 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.93 1rf6 n ARG 309 N -3.69 0.10 -0.80 1.05 1.74 -0.35 -4.03 116.66 110.68 1rf6 n ARG 309 Ca -0.00 0.12 -0.01 0.00 -0.77 0.00 0.00 57.85 57.20 1rf6 n ARG 309 Cb 0.25 -1.62 -0.01 0.00 -1.02 0.00 0.00 32.46 30.06 1rf6 n ARG 309 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1rf6 n LEU 310 N -1.79 0.01 -0.28 0.55 -0.00 -0.66 -1.70 117.00 113.14 1rf6 n LEU 310 Ca 0.06 -1.40 0.07 0.00 -0.00 0.00 0.00 56.01 54.74 1rf6 n LEU 310 Cb 0.35 0.00 0.22 0.00 -0.00 0.00 0.00 43.42 43.98 1rf6 n LEU 310 CO 0.26 0.76 1.03 -0.29 -0.00 0.00 0.00 177.39 179.15 1rf6 h ILE 311 N 6.04 0.62 0.00 1.47 6.09 -1.01 0.33 117.51 131.05 1rf6 h ILE 311 Ca -0.16 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 1rf6 h ILE 311 Cb 1.39 0.12 0.00 0.00 0.47 0.00 0.00 36.82 38.80 1rf6 h ILE 311 CO -0.03 0.08 0.00 0.47 -3.07 0.00 0.00 178.15 175.60 1rf6 n ASP 312 N -5.00 0.06 -0.19 2.19 10.43 -1.26 -3.22 116.55 119.56 1rf6 n ASP 312 Ca 0.16 0.51 0.12 0.00 2.57 0.00 0.00 54.79 58.15 1rf6 n ASP 312 Cb 0.47 -0.52 0.24 0.00 1.84 0.00 0.00 41.12 43.15 1rf6 n ASP 312 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1rf6 n GLU 313 N -1.56 0.58 -0.07 -1.24 4.71 0.09 -4.32 120.64 118.82 1rf6 n GLU 313 Ca 0.07 -0.38 0.12 0.00 -0.01 0.00 0.00 57.16 56.95 1rf6 n GLU 313 Cb 0.34 -1.49 0.50 0.00 -1.01 0.00 0.00 31.44 29.78 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 0.94 0.36 -0.14 -4.62 3.38 -1.48 0.19 115.31 113.93 1rf6 h LEU 314 Ca 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1rf6 h LEU 314 Cb 0.54 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1rf6 h LEU 314 CO 0.00 0.22 0.00 -0.65 0.09 0.00 0.00 178.44 178.10 1rf6 h PRO 315 N 0.40 0.24 0.00 1.13 0.11 -1.84 0.58 132.00 132.61 1rf6 h PRO 315 Ca 0.27 -0.08 -0.11 0.00 0.11 0.00 0.00 66.00 66.19 1rf6 h PRO 315 Cb 0.52 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 1rf6 h PRO 315 CO -0.07 0.47 -0.53 0.97 -0.21 0.00 0.00 178.00 178.63 1rf6 h ILE 316 N -0.02 1.34 -0.01 4.15 6.09 -1.73 -2.54 117.51 124.79 1rf6 h ILE 316 Ca 0.04 -1.83 -0.11 0.00 -1.37 0.00 0.00 64.86 61.59 1rf6 h ILE 316 Cb 0.36 2.00 -0.01 0.00 0.47 0.00 0.00 36.82 39.64 1rf6 h ILE 316 CO 0.01 0.52 -0.50 0.40 -3.07 0.00 0.00 178.15 175.51 1rf6 h ILE 317 N 0.00 1.36 -0.57 2.19 2.04 -0.48 -1.16 117.51 120.89 1rf6 h ILE 317 Ca -0.01 -1.71 -0.02 0.00 1.00 0.00 0.00 64.86 64.13 1rf6 h ILE 317 Cb 0.96 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.92 1rf6 h ILE 317 CO 0.07 0.49 0.28 0.00 0.00 0.00 0.00 178.15 178.99 1rf6 h ALA 318 N 1.49 0.73 -0.72 1.87 0.00 -0.45 0.21 119.26 122.38 1rf6 h ALA 318 Ca -0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1rf6 h ALA 318 Cb 0.88 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1rf6 h ALA 318 CO 0.07 0.29 0.26 1.25 0.00 0.00 0.00 179.25 181.11 1rf6 h LEU 319 N 0.77 1.03 -0.54 0.00 5.85 -1.27 -1.93 115.31 119.21 1rf6 h LEU 319 Ca 0.20 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1rf6 h LEU 319 Cb 0.11 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1rf6 h LEU 319 CO -0.03 0.94 0.34 0.25 -0.34 0.00 0.00 178.44 179.61 1rf6 h LEU 320 N 1.06 0.56 -0.47 2.25 6.46 -0.47 -2.53 115.31 122.18 1rf6 h LEU 320 Ca 0.24 -0.00 0.04 0.00 -0.12 0.00 0.00 57.88 58.03 1rf6 h LEU 320 Cb 0.26 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 1rf6 h LEU 320 CO -0.01 0.40 0.24 0.00 -0.62 0.00 0.00 178.44 178.45 1rf6 h ALA 321 N 1.23 0.59 0.00 1.25 0.00 -0.11 -1.73 119.26 120.49 1rf6 h ALA 321 Ca 0.21 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1rf6 h ALA 321 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1rf6 h ALA 321 CO -0.08 -0.11 0.24 1.79 0.00 0.00 0.00 179.25 181.10 1rf6 h THR 322 N 0.48 0.00 -0.01 0.00 1.35 -0.91 0.22 112.91 114.04 1rf6 h THR 322 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 1rf6 h THR 322 Cb 0.10 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1rf6 h THR 322 CO -0.14 0.00 -0.75 0.00 -0.25 0.00 0.00 175.52 174.39 1rf6 n GLN 323 N -2.81 0.45 -3.06 4.72 1.13 -0.66 -0.79 117.38 116.36 1rf6 n GLN 323 Ca -0.02 -0.36 -0.38 0.00 -1.94 0.00 0.00 57.00 54.30 1rf6 n GLN 323 Cb 0.29 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.09 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 -2.80 3.45 -0.03 -1.58 0.00 0.77 -4.60 121.76 116.97 1rf6 s ALA 324 Ca 0.13 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 1rf6 s ALA 324 Cb 0.17 -2.87 -0.05 0.00 0.00 0.00 0.00 23.12 20.37 1rf6 s ALA 324 CO 0.74 0.32 1.34 -1.14 0.00 0.00 0.00 175.76 177.02 1rf6 s GLN 325 N -1.43 4.30 0.00 0.00 2.00 -0.13 -2.59 119.66 121.81 1rf6 s GLN 325 Ca 0.37 1.87 0.00 0.00 -2.00 0.00 0.00 55.36 55.60 1rf6 s GLN 325 Cb -0.20 -3.60 0.00 0.00 0.80 0.00 0.00 33.01 30.01 1rf6 s GLN 325 CO 0.23 -0.56 0.00 0.41 -0.50 0.00 0.00 175.29 174.88 1rf6 n GLY 326 N 3.58 -1.76 3.85 2.59 0.00 -1.26 -2.15 105.19 110.03 1rf6 n GLY 326 Ca 0.13 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 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 5.21 -0.08 1.61 1.01 -1.26 0.17 120.40 127.07 1rf6 s VAL 327 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1rf6 s VAL 327 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 33.07 1rf6 s VAL 327 CO 0.00 0.50 -0.10 0.28 0.00 0.00 0.00 175.10 175.78 1rf6 s THR 328 N -1.12 1.04 -0.15 3.92 -1.32 0.38 -3.27 115.64 115.12 1rf6 s THR 328 Ca 0.19 -0.38 -0.04 0.00 -1.21 0.00 0.00 61.69 60.25 1rf6 s THR 328 Cb -0.12 -0.99 -0.03 0.00 -1.51 0.00 0.00 72.50 69.85 1rf6 s THR 328 CO 0.09 0.35 -0.03 -0.69 -2.21 0.00 0.00 174.62 172.13 1rf6 s VAL 329 N 1.01 3.95 -0.23 5.08 1.01 -0.66 -1.19 120.40 129.37 1rf6 s VAL 329 Ca -0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 1rf6 s VAL 329 Cb -0.15 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.53 1rf6 s VAL 329 CO -0.00 0.50 -0.11 -0.63 0.00 0.00 0.00 175.10 174.85 1rf6 s ILE 330 N 0.27 2.53 0.24 2.22 1.01 -0.28 -0.29 121.20 126.91 1rf6 s ILE 330 Ca -0.03 -1.07 0.01 0.00 0.00 0.00 0.00 60.65 59.56 1rf6 s ILE 330 Cb -0.14 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 1rf6 s ILE 330 CO 0.03 0.28 0.10 -1.59 0.00 0.00 0.00 174.94 173.76 1rf6 s LYS 331 N 1.29 1.35 -1.22 2.79 -2.85 -0.68 -1.49 119.74 118.92 1rf6 s LYS 331 Ca 0.00 -1.72 0.00 0.00 -1.00 0.00 0.00 55.97 53.25 1rf6 s LYS 331 Cb -0.16 -0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.47 1rf6 s LYS 331 CO -0.07 -0.31 0.00 -0.25 0.10 0.00 0.00 175.35 174.82 1rf6 n ASP 332 N -0.41 -4.60 -2.12 0.03 10.43 -0.96 -4.34 116.55 114.58 1rf6 n ASP 332 Ca 0.00 0.28 -0.28 0.00 2.57 0.00 0.00 54.79 57.37 1rf6 n ASP 332 Cb 0.66 -3.11 0.05 0.00 1.84 0.00 0.00 41.12 40.56 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 1.21 5.53 0.30 2.24 0.00 0.62 -4.72 120.51 125.69 1rf6 n ALA 333 Ca -0.11 -3.64 0.16 0.00 0.00 0.00 0.00 53.44 49.85 1rf6 n ALA 333 Cb 0.41 -0.92 0.94 0.00 0.00 0.00 0.00 19.45 19.88 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 2.06 0.00 -0.03 0.00 9.09 -1.81 -2.20 114.58 121.69 1rf6 h GLU 334 Ca 0.46 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.88 1rf6 h GLU 334 Cb 1.26 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.36 1rf6 h GLU 334 CO 1.09 0.02 0.12 0.93 0.05 0.00 0.00 179.01 181.22 1rf6 h GLU 335 N 0.00 0.00 0.00 1.06 4.39 -1.93 -2.06 114.58 116.04 1rf6 h GLU 335 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1rf6 h GLU 335 Cb 0.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1rf6 h GLU 335 CO 0.00 0.00 -0.09 -0.07 -1.16 0.00 0.00 179.01 177.69 1rf6 h LEU 336 N 0.00 0.00 -1.45 1.33 3.38 -1.78 -2.48 115.31 114.31 1rf6 h LEU 336 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1rf6 h LEU 336 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1rf6 h LEU 336 CO -0.00 0.09 0.00 0.11 0.09 0.00 0.00 178.44 178.73 1rf6 h LYS 337 N 0.00 0.00 -0.67 1.13 1.57 -1.61 0.54 116.57 117.54 1rf6 h LYS 337 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rf6 h LYS 337 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1rf6 h LYS 337 CO 0.01 0.00 0.00 0.28 -0.57 0.00 0.00 179.45 179.17 1rf6 n VAL 338 N -3.09 0.97 -0.14 0.50 0.31 -0.93 -4.10 118.33 111.84 1rf6 n VAL 338 Ca 0.01 -0.98 0.00 0.00 -0.01 0.00 0.00 64.34 63.35 1rf6 n VAL 338 Cb 0.31 0.53 0.00 0.00 -0.91 0.00 0.00 33.84 33.77 1rf6 n VAL 338 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1rf6 n LYS 339 N 1.50 1.03 -0.07 5.55 4.76 -1.19 -4.81 118.16 124.93 1rf6 n LYS 339 Ca 0.23 0.00 0.25 0.00 -2.87 0.00 0.00 58.31 55.91 1rf6 n LYS 339 Cb 0.60 0.00 0.72 0.00 -1.84 0.00 0.00 35.03 34.51 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 0.00 -4.06 1.97 3.07 -1.90 -3.41 114.58 110.24 1rf6 h GLU 340 Ca 0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 1rf6 h GLU 340 Cb 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.79 1rf6 h GLU 340 CO 0.00 0.00 -0.34 0.95 -1.40 0.00 0.00 179.01 178.22 1rf6 s THR 341 N -4.88 0.00 -0.81 1.13 -4.23 -1.26 -4.77 115.64 100.82 1rf6 s THR 341 Ca -0.05 -1.67 -0.25 0.00 -1.18 0.00 0.00 61.69 58.54 1rf6 s THR 341 Cb 0.19 -2.34 0.01 0.00 1.34 0.00 0.00 72.50 71.71 1rf6 s THR 341 CO 0.70 0.00 1.56 -0.62 -0.54 0.00 0.00 174.62 175.72 1rf6 s ASP 342 N -3.08 5.88 0.26 3.99 -1.08 -1.26 -4.52 116.67 116.86 1rf6 s ASP 342 Ca 0.30 -0.57 0.20 0.00 -0.52 0.00 0.00 52.55 51.97 1rf6 s ASP 342 Cb 0.03 -2.56 0.99 0.00 -1.46 0.00 0.00 42.92 39.92 1rf6 s ASP 342 CO 0.10 -2.02 1.62 0.54 0.52 0.00 0.00 175.17 175.93 1rf6 n ARG 343 N 9.13 0.14 -0.04 4.34 1.74 0.17 -1.14 116.66 131.00 1rf6 n ARG 343 Ca 0.21 0.53 -0.10 0.00 -0.77 0.00 0.00 57.85 57.71 1rf6 n ARG 343 Cb 0.50 -1.87 -0.09 0.00 -1.02 0.00 0.00 32.46 29.98 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 1.22 -0.31 0.55 2.04 -1.87 -2.94 117.51 116.20 1rf6 h ILE 344 Ca 0.00 -1.79 -0.05 0.00 1.00 0.00 0.00 64.86 64.02 1rf6 h ILE 344 Cb 0.15 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1rf6 h ILE 344 CO 0.00 0.39 0.00 -0.61 0.00 0.00 0.00 178.15 177.94 1rf6 h GLN 345 N -0.95 0.55 -0.31 2.37 5.75 -1.85 -2.25 115.11 118.43 1rf6 h GLN 345 Ca -0.00 -0.17 -0.12 0.00 -0.15 0.00 0.00 58.65 58.20 1rf6 h GLN 345 Cb 0.67 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.17 1rf6 h GLN 345 CO 0.01 0.68 -0.28 0.28 -2.65 0.00 0.00 178.83 176.87 1rf6 h VAL 346 N 0.35 1.30 -0.43 2.39 2.07 -1.30 -1.65 116.25 118.97 1rf6 h VAL 346 Ca 0.09 -1.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 1rf6 h VAL 346 Cb 0.44 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1rf6 h VAL 346 CO 0.02 0.47 0.02 0.58 0.02 0.00 0.00 177.57 178.67 1rf6 h VAL 347 N 0.49 1.26 -0.14 2.57 2.07 -1.56 0.44 116.25 121.39 1rf6 h VAL 347 Ca 0.05 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1rf6 h VAL 347 Cb 0.85 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1rf6 h VAL 347 CO 0.07 0.34 0.08 0.00 0.02 0.00 0.00 177.57 178.08 1rf6 h ALA 348 N 0.91 0.17 -0.41 1.67 0.00 -1.40 -1.36 119.26 118.84 1rf6 h ALA 348 Ca 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1rf6 h ALA 348 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1rf6 h ALA 348 CO 0.02 -0.31 0.13 -0.44 0.00 0.00 0.00 179.25 178.65 1rf6 h ASP 349 N 0.14 0.60 0.36 0.00 3.32 -1.20 -0.19 116.42 119.45 1rf6 h ASP 349 Ca 0.05 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1rf6 h ASP 349 Cb 0.04 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1rf6 h ASP 349 CO -0.01 0.64 -0.18 0.00 -1.72 0.00 0.00 179.24 177.98 1rf6 h ALA 350 N 0.98 -0.49 -0.51 3.45 0.00 -0.82 -1.57 119.26 120.30 1rf6 h ALA 350 Ca 0.13 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1rf6 h ALA 350 Cb 0.26 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1rf6 h ALA 350 CO -0.00 -0.75 -0.06 -0.07 0.00 0.00 0.00 179.25 178.36 1rf6 h LEU 351 N -0.53 0.90 -0.79 0.00 3.38 -1.25 -2.86 115.31 114.16 1rf6 h LEU 351 Ca -0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1rf6 h LEU 351 Cb 0.40 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1rf6 h LEU 351 CO 0.08 0.99 0.35 0.78 0.09 0.00 0.00 178.44 180.74 1rf6 h ASN 352 N 0.83 1.05 0.21 -0.43 2.35 -0.98 0.66 115.58 119.27 1rf6 h ASN 352 Ca 0.14 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1rf6 h ASN 352 Cb 0.58 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1rf6 h ASN 352 CO 0.04 0.91 0.00 -1.54 -1.65 0.00 0.00 177.43 175.19 1rf6 n SER 353 N -4.33 0.00 -0.00 5.81 3.41 -0.60 -2.46 113.62 115.45 1rf6 n SER 353 Ca 0.07 0.50 -0.03 0.00 -0.26 0.00 0.00 58.87 59.15 1rf6 n SER 353 Cb 0.16 -0.50 -0.01 0.00 -0.26 0.00 0.00 64.21 63.60 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 -1.50 0.17 -0.05 4.33 2.81 -0.28 -4.56 117.12 118.04 1rf6 n MET 354 Ca 0.01 0.07 -0.07 0.00 -1.81 0.00 0.00 57.70 55.90 1rf6 n MET 354 Cb 0.07 -0.75 -0.06 0.00 -0.71 0.00 0.00 33.22 31.78 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 2.71 -0.24 1.32 3.03 0.00 0.21 0.09 105.19 112.31 1rf6 n GLY 355 Ca -0.04 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.71 -0.31 -2.37 4.61 0.00 -0.22 -4.63 120.51 114.88 1rf6 n ALA 356 Ca -0.19 0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.24 1rf6 n ALA 356 Cb 0.74 -0.11 0.03 0.00 0.00 0.00 0.00 19.45 20.11 1rf6 n ALA 356 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rf6 n ASP 357 N -0.99 -2.15 -3.85 0.00 -0.08 -1.26 -4.79 116.55 103.42 1rf6 n ASP 357 Ca 0.00 -0.18 -0.26 0.00 -1.51 0.00 0.00 54.79 52.84 1rf6 n ASP 357 Cb 0.05 -1.83 -0.17 0.00 2.34 0.00 0.00 41.12 41.51 1rf6 n ASP 357 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1rf6 s ILE 358 N -3.10 0.80 -0.37 5.18 1.01 -1.26 -2.13 121.20 121.32 1rf6 s ILE 358 Ca 0.01 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 1rf6 s ILE 358 Cb -0.00 -0.89 0.05 0.00 0.01 0.00 0.00 42.46 41.63 1rf6 s ILE 358 CO 0.21 0.30 0.17 0.42 0.00 0.00 0.00 174.94 176.04 1rf6 s THR 359 N 1.80 4.11 0.43 2.92 -4.23 0.25 -4.94 115.64 115.97 1rf6 s THR 359 Ca 0.05 -1.13 -0.24 0.00 -1.18 0.00 0.00 61.69 59.18 1rf6 s THR 359 Cb -0.13 -3.37 -0.08 0.00 1.34 0.00 0.00 72.50 70.26 1rf6 s THR 359 CO -0.07 -0.28 1.20 -2.16 -0.54 0.00 0.00 174.62 172.76 1rf6 s PRO 360 N 1.45 3.90 0.47 3.99 0.04 -1.26 -1.14 135.00 142.44 1rf6 s PRO 360 Ca 0.01 1.88 0.03 0.00 0.04 0.00 0.00 61.00 62.95 1rf6 s PRO 360 Cb -0.20 -2.58 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 1rf6 s PRO 360 CO 0.04 -0.46 0.10 0.95 0.04 0.00 0.00 177.00 177.67 1rf6 s THR 361 N -1.43 0.66 0.24 1.26 -4.23 0.10 -4.92 115.64 107.31 1rf6 s THR 361 Ca 0.60 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.37 1rf6 s THR 361 Cb -0.31 -2.17 0.26 0.00 1.34 0.00 0.00 72.50 71.62 1rf6 s THR 361 CO 0.39 0.00 1.92 0.00 -0.54 0.00 0.00 174.62 176.39 1rf6 h ALA 362 N 1.55 1.10 0.00 3.99 0.00 -1.98 -3.25 119.26 120.68 1rf6 h ALA 362 Ca -0.37 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 1rf6 h ALA 362 Cb 1.30 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.90 1rf6 h ALA 362 CO 0.60 0.22 -0.65 -0.40 0.00 0.00 0.00 179.25 179.03 1rf6 n ASP 363 N -3.45 1.14 0.00 0.00 5.75 -1.26 -4.60 116.55 114.13 1rf6 n ASP 363 Ca -0.01 -2.62 0.00 0.00 -0.01 0.00 0.00 54.79 52.15 1rf6 n ASP 363 Cb 0.36 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1rf6 n ASP 363 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rf6 n GLY 364 N -0.27 -0.46 3.47 6.12 0.00 -1.23 -0.28 105.19 112.54 1rf6 n GLY 364 Ca 0.09 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.60 1.03 -0.18 1.61 0.23 -0.55 -0.73 119.30 119.10 1rf6 s MET 365 Ca 0.00 -0.35 0.00 0.00 -1.03 0.00 0.00 55.69 54.32 1rf6 s MET 365 Cb 0.00 0.47 0.01 0.00 -1.53 0.00 0.00 34.83 33.78 1rf6 s MET 365 CO 0.00 -0.44 -0.17 0.42 -2.03 0.00 0.00 175.02 172.80 1rf6 s ILE 366 N -3.29 2.39 -0.11 3.16 1.01 -0.30 -1.12 121.20 122.95 1rf6 s ILE 366 Ca 0.03 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.84 1rf6 s ILE 366 Cb -0.01 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.43 1rf6 s ILE 366 CO -0.10 0.52 -0.12 -0.63 0.00 0.00 0.00 174.94 174.60 1rf6 s ILE 367 N 1.18 3.15 0.09 2.92 1.01 -0.34 -0.59 121.20 128.63 1rf6 s ILE 367 Ca 0.02 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.09 1rf6 s ILE 367 Cb -0.14 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1rf6 s ILE 367 CO -0.08 0.55 -0.14 -0.54 0.00 0.00 0.00 174.94 174.73 1rf6 s LYS 368 N -0.02 2.03 0.00 2.79 1.02 -0.91 -0.47 119.74 124.18 1rf6 s LYS 368 Ca -0.03 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 54.91 1rf6 s LYS 368 Cb -0.14 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1rf6 s LYS 368 CO 0.04 0.51 0.00 0.41 -0.92 0.00 0.00 175.35 175.39 1rf6 n GLY 369 N 0.95 0.02 3.48 -3.33 0.00 0.45 -4.59 105.19 102.17 1rf6 n GLY 369 Ca -0.15 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1rf6 n GLY 369 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rf6 s LYS 370 N 0.00 3.11 0.13 1.61 2.20 -1.07 -4.34 119.74 121.38 1rf6 s LYS 370 Ca 0.00 -0.84 -0.03 0.00 -0.36 0.00 0.00 55.97 54.74 1rf6 s LYS 370 Cb 0.00 -3.94 -0.05 0.00 -1.51 0.00 0.00 37.83 32.32 1rf6 s LYS 370 CO 0.00 -0.74 0.34 -1.54 -0.36 0.00 0.00 175.35 173.05 1rf6 s SER 371 N 1.73 6.45 0.12 1.43 1.04 0.03 -4.99 113.70 119.51 1rf6 s SER 371 Ca 0.08 0.50 -0.11 0.00 0.48 0.00 0.00 55.95 56.90 1rf6 s SER 371 Cb -0.18 -2.05 -0.12 0.00 0.10 0.00 0.00 66.02 63.77 1rf6 s SER 371 CO 0.11 0.07 1.34 0.00 0.98 0.00 0.00 173.24 175.74 1rf6 h ALA 372 N 2.79 0.37 -1.23 5.32 0.00 -1.89 -3.45 119.26 121.18 1rf6 h ALA 372 Ca -0.46 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1rf6 h ALA 372 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1rf6 h ALA 372 CO 0.73 0.69 -0.28 1.28 0.00 0.00 0.00 179.25 181.68 1rf6 n LEU 373 N -3.93 -3.28 -4.40 0.00 4.32 -1.26 -4.69 117.00 103.75 1rf6 n LEU 373 Ca -0.07 0.94 -0.22 0.00 -0.02 0.00 0.00 56.01 56.65 1rf6 n LEU 373 Cb 0.73 -0.27 -0.08 0.00 -1.62 0.00 0.00 43.42 42.17 1rf6 n LEU 373 CO 0.52 -0.20 -0.17 -1.38 -1.22 0.00 0.00 177.39 174.94 1rf6 s HIS 374 N -1.23 1.72 0.89 -1.77 -3.43 0.11 -4.28 115.29 107.30 1rf6 s HIS 374 Ca 0.00 -1.41 -0.12 0.00 -0.80 0.00 0.00 55.06 52.73 1rf6 s HIS 374 Cb 0.00 -0.95 0.09 0.00 -1.43 0.00 0.00 32.58 30.29 1rf6 s HIS 374 CO 0.00 -0.52 0.90 0.41 -2.00 0.00 0.00 174.74 173.53 1rf6 n GLY 375 N -0.73 -0.85 3.59 -1.38 0.00 -1.26 -4.51 105.19 100.04 1rf6 n GLY 375 Ca -0.00 -0.65 0.02 0.00 0.00 0.00 0.00 46.02 45.39 1rf6 n GLY 375 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf6 s ALA 376 N -2.39 -2.37 -0.16 4.61 0.00 -0.57 -4.69 121.76 116.19 1rf6 s ALA 376 Ca 0.65 0.94 -0.03 0.00 0.00 0.00 0.00 51.96 53.52 1rf6 s ALA 376 Cb -0.25 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 1rf6 s ALA 376 CO 0.59 -1.01 -0.04 0.50 0.00 0.00 0.00 175.76 175.80 1rf6 s ARG 377 N -2.19 3.63 0.03 0.00 6.06 -1.26 -1.83 118.95 123.39 1rf6 s ARG 377 Ca 0.14 -0.54 0.04 0.00 -2.50 0.00 0.00 55.73 52.87 1rf6 s ARG 377 Cb 0.06 -2.90 -0.02 0.00 0.06 0.00 0.00 34.95 32.15 1rf6 s ARG 377 CO -0.05 0.21 -0.12 0.54 -2.50 0.00 0.00 175.30 173.38 1rf6 s VAL 378 N 0.45 0.91 -0.12 7.11 0.11 -0.17 -4.97 120.40 123.72 1rf6 s VAL 378 Ca -0.04 -0.86 0.03 0.00 -2.93 0.00 0.00 61.98 58.18 1rf6 s VAL 378 Cb -0.14 -0.84 0.01 0.00 -1.53 0.00 0.00 36.38 33.88 1rf6 s VAL 378 CO 0.03 -0.02 -0.22 0.21 -3.33 0.00 0.00 175.10 171.77 1rf6 s ASN 379 N -0.99 3.05 0.32 3.54 3.04 -1.26 -0.66 114.94 121.98 1rf6 s ASN 379 Ca 0.00 -0.57 0.26 0.00 0.04 0.00 0.00 52.86 52.59 1rf6 s ASN 379 Cb -0.07 -1.40 1.04 0.00 -1.54 0.00 0.00 41.25 39.28 1rf6 s ASN 379 CO 0.01 0.11 1.78 0.71 -3.04 0.00 0.00 177.10 176.66 1rf6 h THR 380 N 5.79 0.00 -2.12 -5.21 1.35 -1.75 -3.46 112.91 107.50 1rf6 h THR 380 Ca -0.27 -0.32 -0.26 0.00 -0.55 0.00 0.00 66.41 65.00 1rf6 h THR 380 Cb 1.21 1.14 -0.08 0.00 -1.73 0.00 0.00 68.15 68.69 1rf6 h THR 380 CO 0.52 0.00 -0.27 0.49 -0.25 0.00 0.00 175.52 176.01 1rf6 n PHE 381 N -2.44 -0.70 -0.75 4.73 3.01 -1.26 -0.19 117.46 119.86 1rf6 n PHE 381 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1rf6 n PHE 381 Cb 0.27 -2.62 0.00 0.00 -0.01 0.00 0.00 39.48 37.11 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 -0.42 0.68 3.08 1.37 0.00 -1.26 -4.86 105.19 103.79 1rf6 n GLY 382 Ca -0.14 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.63 4.89 0.31 1.61 -1.08 0.74 -4.92 116.67 115.58 1rf6 s ASP 383 Ca 0.00 -1.90 0.05 0.00 -0.52 0.00 0.00 52.55 50.18 1rf6 s ASP 383 Cb 0.00 -1.69 0.83 0.00 -1.46 0.00 0.00 42.92 40.60 1rf6 s ASP 383 CO 0.00 -0.39 1.62 1.12 0.52 0.00 0.00 175.17 178.04 1rf6 h HIS 384 N 7.81 0.32 0.00 -5.34 2.07 -1.86 -0.07 115.15 118.09 1rf6 h HIS 384 Ca -0.11 0.05 -0.08 0.00 -2.85 0.00 0.00 60.37 57.39 1rf6 h HIS 384 Cb 1.04 0.01 -0.01 0.00 2.57 0.00 0.00 27.41 31.02 1rf6 h HIS 384 CO 0.53 -0.31 -0.37 0.00 -3.07 0.00 0.00 177.93 174.71 1rf6 h ARG 385 N 0.13 0.00 -0.64 5.12 3.08 -1.94 -0.69 114.38 119.43 1rf6 h ARG 385 Ca 0.61 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.58 1rf6 h ARG 385 Cb 1.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 1rf6 h ARG 385 CO -0.75 0.37 0.08 0.82 -1.07 0.00 0.00 179.97 179.42 1rf6 h ILE 386 N 0.00 1.26 -0.37 2.04 1.08 -1.34 0.13 117.51 120.31 1rf6 h ILE 386 Ca -0.00 -1.06 -0.10 0.00 -0.39 0.00 0.00 64.86 63.30 1rf6 h ILE 386 Cb 0.87 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1rf6 h ILE 386 CO 0.05 0.39 -0.16 1.23 -0.69 0.00 0.00 178.15 178.98 1rf6 h GLY 387 N 1.00 0.82 1.72 5.37 0.00 -1.07 -1.94 103.07 108.97 1rf6 h GLY 387 Ca 0.19 -0.73 -0.17 0.00 0.00 0.00 0.00 47.33 46.63 1rf6 h GLY 387 CO 0.02 0.66 -0.69 -0.33 0.00 0.00 0.00 176.54 176.20 1rf6 h MET 388 N 0.55 0.27 -0.32 4.80 2.86 -1.00 -2.42 114.93 119.68 1rf6 h MET 388 Ca 0.09 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1rf6 h MET 388 Cb 0.69 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 1rf6 h MET 388 CO 0.05 0.86 0.18 1.98 1.06 0.00 0.00 176.91 181.03 1rf6 h MET 389 N 0.19 0.45 -0.52 1.72 -1.53 -0.69 -2.05 114.93 112.50 1rf6 h MET 389 Ca -0.02 -0.05 -0.04 0.00 -3.44 0.00 0.00 59.70 56.15 1rf6 h MET 389 Cb 1.24 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 32.18 1rf6 h MET 389 CO 0.11 0.38 0.15 1.15 0.14 0.00 0.00 176.91 178.83 1rf6 h THR 390 N 0.40 1.21 -0.54 -0.77 2.02 -1.30 -0.65 112.91 113.28 1rf6 h THR 390 Ca 0.11 -0.74 -0.04 0.00 0.77 0.00 0.00 66.41 66.52 1rf6 h THR 390 Cb 0.06 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1rf6 h THR 390 CO -0.02 0.28 0.18 0.00 0.37 0.00 0.00 175.52 176.33 1rf6 h ALA 391 N 1.41 0.70 -0.32 6.16 0.00 -1.05 0.39 119.26 126.55 1rf6 h ALA 391 Ca 0.17 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1rf6 h ALA 391 Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1rf6 h ALA 391 CO -0.01 0.34 -0.13 0.82 0.00 0.00 0.00 179.25 180.28 1rf6 h ILE 392 N 0.73 1.29 -0.56 0.00 5.03 -1.08 -3.03 117.51 119.90 1rf6 h ILE 392 Ca 0.17 -1.22 0.02 0.00 -0.12 0.00 0.00 64.86 63.71 1rf6 h ILE 392 Cb 0.25 1.41 -0.03 0.00 -3.03 0.00 0.00 36.82 35.42 1rf6 h ILE 392 CO -0.01 0.39 0.35 0.00 -0.68 0.00 0.00 178.15 178.20 1rf6 h ALA 393 N 0.77 0.71 -0.95 1.87 0.00 -0.90 -1.52 119.26 119.25 1rf6 h ALA 393 Ca 0.07 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.19 1rf6 h ALA 393 Cb 0.65 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1rf6 h ALA 393 CO 0.04 0.09 0.63 0.00 0.00 0.00 0.00 179.25 180.02 1rf6 h ALA 394 N 1.23 2.36 -0.19 0.00 0.00 -0.11 0.61 119.26 123.16 1rf6 h ALA 394 Ca 0.22 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1rf6 h ALA 394 Cb -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1rf6 h ALA 394 CO -0.08 -0.67 0.18 -0.07 0.00 0.00 0.00 179.25 178.61 1rf6 h LEU 395 N 0.32 0.00 -0.18 0.00 4.07 -1.16 -1.81 115.31 116.56 1rf6 h LEU 395 Ca 0.50 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.46 1rf6 h LEU 395 Cb 1.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.13 1rf6 h LEU 395 CO -0.17 0.00 -0.47 0.18 -1.08 0.00 0.00 178.44 176.90 1rf6 n LEU 396 N -3.99 0.75 -4.61 1.67 4.77 0.21 -3.25 117.00 112.54 1rf6 n LEU 396 Ca 0.02 -0.15 -0.43 0.00 -0.03 0.00 0.00 56.01 55.42 1rf6 n LEU 396 Cb 0.31 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1rf6 n LEU 396 CO 0.30 0.16 1.26 -0.69 -1.33 0.00 0.00 177.39 177.09 1rf6 s VAL 397 N -2.83 3.89 -0.24 4.08 1.01 -0.68 -4.77 120.40 120.85 1rf6 s VAL 397 Ca 0.15 0.94 -0.16 0.00 0.00 0.00 0.00 61.98 62.91 1rf6 s VAL 397 Cb 0.18 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1rf6 s VAL 397 CO 0.66 -0.63 0.42 0.00 0.00 0.00 0.00 175.10 175.54 1rf6 s ALA 398 N 5.35 3.57 -0.19 5.51 0.00 -1.26 -0.34 121.76 134.40 1rf6 s ALA 398 Ca 0.63 -0.66 -0.10 0.00 0.00 0.00 0.00 51.96 51.82 1rf6 s ALA 398 Cb -0.16 -2.73 0.04 0.00 0.00 0.00 0.00 23.12 20.27 1rf6 s ALA 398 CO 0.31 -0.55 0.20 -3.47 0.00 0.00 0.00 175.76 172.25 1rf6 n ASP 399 N 5.08 -1.88 0.00 0.00 -0.08 -1.26 -4.93 116.55 113.48 1rf6 n ASP 399 Ca -0.07 1.34 0.00 0.00 -1.51 0.00 0.00 54.79 54.54 1rf6 n ASP 399 Cb 0.51 -5.05 0.00 0.00 2.34 0.00 0.00 41.12 38.91 1rf6 n ASP 399 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rf6 n GLY 400 N 1.62 4.29 3.61 0.27 0.00 -1.26 -4.66 105.19 109.06 1rf6 n GLY 400 Ca -0.34 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 1rf6 n GLY 400 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rf6 s GLU 401 N -3.19 2.39 -0.10 1.61 2.02 -1.26 -4.72 118.70 115.45 1rf6 s GLU 401 Ca 0.00 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.14 1rf6 s GLU 401 Cb 0.00 -2.44 0.02 0.00 0.10 0.00 0.00 34.13 31.81 1rf6 s GLU 401 CO 0.00 0.55 -0.14 0.54 0.02 0.00 0.00 175.26 176.23 1rf6 s VAL 402 N -1.16 1.40 -0.05 2.63 0.11 -1.26 -1.51 120.40 120.56 1rf6 s VAL 402 Ca 0.21 -0.59 0.04 0.00 -2.93 0.00 0.00 61.98 58.71 1rf6 s VAL 402 Cb -0.11 -1.29 -0.02 0.00 -1.53 0.00 0.00 36.38 33.42 1rf6 s VAL 402 CO 0.13 0.42 -0.15 -0.70 -3.33 0.00 0.00 175.10 171.47 1rf6 s GLU 403 N 1.00 2.53 -0.16 1.54 2.12 -0.76 -1.49 118.70 123.47 1rf6 s GLU 403 Ca -0.07 -0.71 0.01 0.00 0.36 0.00 0.00 54.97 54.56 1rf6 s GLU 403 Cb -0.15 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 31.87 1rf6 s GLU 403 CO -0.01 0.60 -0.17 -1.17 -0.54 0.00 0.00 175.26 173.97 1rf6 s LEU 404 N -0.67 2.36 -0.04 2.70 0.20 0.34 -1.00 118.68 122.58 1rf6 s LEU 404 Ca 0.10 -0.53 -0.03 0.00 0.69 0.00 0.00 54.13 54.36 1rf6 s LEU 404 Cb -0.11 -1.53 -0.04 0.00 -0.43 0.00 0.00 46.19 44.08 1rf6 s LEU 404 CO 0.01 0.06 0.14 -1.81 -0.29 0.00 0.00 176.35 174.45 1rf6 s ASP 405 N 0.95 6.13 -1.25 3.68 1.01 0.17 0.95 116.67 128.30 1rf6 s ASP 405 Ca -0.03 0.31 -0.04 0.00 0.71 0.00 0.00 52.55 53.50 1rf6 s ASP 405 Cb -0.15 -1.89 0.00 0.00 1.01 0.00 0.00 42.92 41.89 1rf6 s ASP 405 CO -0.03 0.31 1.07 -1.14 0.21 0.00 0.00 175.17 175.59 1rf6 n ARG 406 N 1.33 -7.17 0.23 8.23 0.63 -1.26 -2.65 116.66 116.01 1rf6 n ARG 406 Ca -0.14 0.82 0.08 0.00 -0.92 0.00 0.00 57.85 57.69 1rf6 n ARG 406 Cb 0.53 -5.80 0.57 0.00 0.45 0.00 0.00 32.46 28.21 1rf6 n ARG 406 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1rf6 h ALA 407 N 0.94 1.43 0.00 5.13 0.00 -1.96 -2.89 119.26 121.90 1rf6 h ALA 407 Ca -0.57 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1rf6 h ALA 407 Cb 1.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1rf6 h ALA 407 CO 0.52 0.24 0.14 0.39 0.00 0.00 0.00 179.25 180.54 1rf6 n GLU 408 N -3.94 0.08 0.25 0.00 -0.58 -1.26 -1.29 120.64 113.91 1rf6 n GLU 408 Ca -0.02 0.54 0.09 0.00 -0.42 0.00 0.00 57.16 57.35 1rf6 n GLU 408 Cb 0.28 -1.89 0.66 0.00 -0.57 0.00 0.00 31.44 29.91 1rf6 n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rf6 h ALA 409 N 1.59 1.63 -0.11 0.62 0.00 -1.88 -1.91 119.26 119.21 1rf6 h ALA 409 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1rf6 h ALA 409 Cb 0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1rf6 h ALA 409 CO 0.00 0.12 0.12 0.82 0.00 0.00 0.00 179.25 180.31 1rf6 h ILE 410 N 0.00 0.54 0.00 0.00 2.04 -1.43 -2.11 117.51 116.55 1rf6 h ILE 410 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1rf6 h ILE 410 Cb 0.20 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1rf6 h ILE 410 CO 0.01 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.75 1rf6 n ASN 411 N -3.89 0.00 0.21 1.72 5.03 -0.72 -1.63 115.26 115.99 1rf6 n ASN 411 Ca -0.00 0.08 0.10 0.00 0.87 0.00 0.00 54.58 55.62 1rf6 n ASN 411 Cb 0.22 -0.26 0.35 0.00 -1.02 0.00 0.00 39.78 39.07 1rf6 n ASN 411 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1rf6 h THR 412 N 0.00 0.45 0.00 3.41 1.03 -1.59 -1.93 112.91 114.28 1rf6 h THR 412 Ca 0.00 -1.24 0.00 0.00 -0.01 0.00 0.00 66.41 65.16 1rf6 h THR 412 Cb 0.10 1.90 0.00 0.00 -1.07 0.00 0.00 68.15 69.09 1rf6 h THR 412 CO 0.00 0.21 0.00 -1.54 -0.01 0.00 0.00 175.52 174.18 1rf6 n SER 413 N -3.27 0.00 -2.99 0.00 3.41 -1.14 -2.68 113.62 106.95 1rf6 n SER 413 Ca 0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.47 1rf6 n SER 413 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.00 -1.49 -0.34 7.33 -0.00 -0.64 -4.78 117.16 117.24 1rf6 n TYR 414 Ca 0.00 -2.88 0.19 0.00 -0.00 0.00 0.00 57.90 55.20 1rf6 n TYR 414 Cb 0.00 0.51 0.40 0.00 -0.00 0.00 0.00 39.34 40.25 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 3.57 0.48 -0.77 2.98 0.11 -1.76 -1.29 132.00 135.33 1rf6 h PRO 415 Ca -0.01 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.94 1rf6 h PRO 415 Cb 0.98 -0.11 -0.08 0.00 0.11 0.00 0.00 31.00 31.91 1rf6 h PRO 415 CO 0.37 0.32 0.16 -1.13 -0.21 0.00 0.00 178.00 177.51 1rf6 n SER 416 N -4.95 4.44 -0.10 -2.05 3.41 -1.26 -4.65 113.62 108.47 1rf6 n SER 416 Ca 0.27 -2.92 -0.06 0.00 -0.26 0.00 0.00 58.87 55.91 1rf6 n SER 416 Cb 0.79 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 2.47 -0.23 0.00 7.33 3.57 -1.61 -1.94 116.94 126.54 1rf6 h PHE 417 Ca 0.16 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 1rf6 h PHE 417 Cb 1.95 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.83 1rf6 h PHE 417 CO 1.01 -0.17 -0.47 0.74 -2.23 0.00 0.00 178.31 177.19 1rf6 h PHE 418 N -0.02 0.00 -0.73 0.41 0.04 -1.85 -1.46 116.94 113.33 1rf6 h PHE 418 Ca 0.17 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.89 1rf6 h PHE 418 Cb 0.28 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 1rf6 h PHE 418 CO -0.33 0.47 0.28 -0.44 -0.60 0.00 0.00 178.31 177.69 1rf6 h ASP 419 N 0.00 1.03 -0.28 2.17 3.45 -1.75 0.13 116.42 121.16 1rf6 h ASP 419 Ca -0.00 -0.18 -0.17 0.00 0.43 0.00 0.00 57.03 57.11 1rf6 h ASP 419 Cb 0.88 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 39.38 1rf6 h ASP 419 CO 0.06 0.93 -0.47 0.44 -1.57 0.00 0.00 179.24 178.63 1rf6 h ASP 420 N 1.06 0.90 -0.76 6.45 3.32 -1.08 -2.30 116.42 124.02 1rf6 h ASP 420 Ca 0.24 -0.52 0.05 0.00 0.02 0.00 0.00 57.03 56.82 1rf6 h ASP 420 Cb 0.24 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 1rf6 h ASP 420 CO -0.02 1.25 0.46 0.25 -1.72 0.00 0.00 179.24 179.46 1rf6 h LEU 421 N 0.58 0.72 -0.22 1.55 5.85 -0.92 -2.30 115.31 120.56 1rf6 h LEU 421 Ca 0.02 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1rf6 h LEU 421 Cb 1.07 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 1rf6 h LEU 421 CO 0.11 0.47 0.02 -0.33 -0.34 0.00 0.00 178.44 178.36 1rf6 h GLU 422 N 0.85 0.09 0.00 1.25 4.39 -0.56 -2.27 114.58 118.33 1rf6 h GLU 422 Ca 0.33 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1rf6 h GLU 422 Cb 0.13 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1rf6 h GLU 422 CO -0.16 0.06 0.00 0.66 -1.16 0.00 0.00 179.01 178.41 1rf6 h SER 423 N 0.09 0.00 1.09 1.42 4.64 -0.85 -2.11 113.55 117.83 1rf6 h SER 423 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1rf6 h SER 423 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1rf6 h SER 423 CO -0.16 0.00 -0.33 0.18 -0.87 0.00 0.00 176.83 175.64 1rf6 n LEU 424 N -2.92 0.69 -0.32 5.97 4.77 -0.85 -0.23 117.00 124.10 1rf6 n LEU 424 Ca -0.02 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1rf6 n LEU 424 Cb 0.11 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1rf6 n LEU 424 CO 0.20 -0.09 0.25 -0.38 -1.33 0.00 0.00 177.39 176.03 1rf6 n ILE 425 N -2.09 0.00 0.05 -0.08 5.41 -0.79 -2.45 119.36 119.40 1rf6 n ILE 425 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1rf6 n ILE 425 Cb 0.42 -0.28 0.00 0.00 -0.71 0.00 0.00 39.64 39.07 1rf6 n ILE 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1rf6 n HIS 426 N -0.10 -2.20 0.00 1.39 1.44 -1.24 -5.01 115.22 109.51 1rf6 n HIS 426 Ca 0.00 0.33 0.00 0.00 -2.01 0.00 0.00 57.72 56.04 1rf6 n HIS 426 Cb 0.11 1.06 0.00 0.00 0.12 0.00 0.00 29.99 31.28 1rf6 n HIS 426 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94