#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rf5 s LYS 2 N 0.00 3.63 0.58 3.17 1.02 -1.26 -0.92 119.74 125.95 1rf5 s LYS 2 Ca 0.00 0.08 -0.15 0.00 0.02 0.00 0.00 55.97 55.92 1rf5 s LYS 2 Cb 0.00 -3.84 -0.05 0.00 -0.52 0.00 0.00 37.83 33.42 1rf5 s LYS 2 CO 0.00 -0.86 1.04 -0.51 -0.92 0.00 0.00 175.35 174.09 1rf5 s LEU 3 N 2.96 3.50 0.10 3.17 1.43 -0.49 -4.99 118.68 124.35 1rf5 s LEU 3 Ca 0.28 1.72 -0.31 0.00 -1.03 0.00 0.00 54.13 54.79 1rf5 s LEU 3 Cb -0.14 -4.52 -0.08 0.00 0.03 0.00 0.00 46.19 41.49 1rf5 s LEU 3 CO 0.17 -1.01 1.43 -0.54 0.23 0.00 0.00 176.35 176.63 1rf5 s LYS 4 N -4.18 4.30 0.23 1.70 3.01 -1.26 -4.64 119.74 118.90 1rf5 s LYS 4 Ca 0.62 2.10 0.11 0.00 -1.01 0.00 0.00 55.97 57.78 1rf5 s LYS 4 Cb -0.14 -3.32 -0.05 0.00 -1.01 0.00 0.00 37.83 33.31 1rf5 s LYS 4 CO 0.37 -0.50 -0.19 0.95 0.51 0.00 0.00 175.35 176.49 1rf5 s THR 5 N 1.44 2.22 -0.66 2.17 -4.23 -1.26 -3.36 115.64 111.97 1rf5 s THR 5 Ca 0.66 -2.24 -0.07 0.00 -1.18 0.00 0.00 61.69 58.86 1rf5 s THR 5 Cb -0.37 -2.16 0.01 0.00 1.34 0.00 0.00 72.50 71.33 1rf5 s THR 5 CO 0.30 -0.38 0.66 -3.20 -0.54 0.00 0.00 174.62 171.46 1rf5 n ASN 6 N -0.29 -7.23 -4.75 3.99 5.15 0.55 -4.96 115.26 107.71 1rf5 n ASN 6 Ca -0.08 -0.07 -0.36 0.00 -0.60 0.00 0.00 54.58 53.47 1rf5 n ASN 6 Cb 0.59 -4.52 -0.07 0.00 -0.53 0.00 0.00 39.78 35.24 1rf5 n ASN 6 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1rf5 s ILE 7 N -2.80 5.38 -0.05 -1.44 1.09 -0.76 -5.01 121.20 117.62 1rf5 s ILE 7 Ca 0.09 0.31 -0.00 0.00 -1.10 0.00 0.00 60.65 59.94 1rf5 s ILE 7 Cb -0.02 -3.51 -0.26 0.00 -1.06 0.00 0.00 42.46 37.61 1rf5 s ILE 7 CO 0.79 0.45 0.64 0.08 -0.10 0.00 0.00 174.94 176.80 1rf5 h ARG 8 N 6.40 0.19 -3.32 2.79 0.11 -1.90 -3.43 114.38 115.22 1rf5 h ARG 8 Ca -0.43 -0.33 -0.09 0.00 0.10 0.00 0.00 59.98 59.23 1rf5 h ARG 8 Cb 1.17 0.12 -0.16 0.00 1.11 0.00 0.00 29.97 32.21 1rf5 h ARG 8 CO 0.73 0.99 -0.22 -3.38 0.10 0.00 0.00 179.97 178.19 1rf5 s HIS 9 N -2.59 -0.11 -0.15 4.08 -3.43 -1.26 -4.32 115.29 107.51 1rf5 s HIS 9 Ca -0.13 -0.05 -0.03 0.00 -0.80 0.00 0.00 55.06 54.05 1rf5 s HIS 9 Cb 0.07 0.12 0.05 0.00 -1.43 0.00 0.00 32.58 31.39 1rf5 s HIS 9 CO 0.82 -0.54 0.05 -1.17 -2.00 0.00 0.00 174.74 171.90 1rf5 s LEU 10 N -2.20 0.70 0.00 5.38 2.96 -1.25 -4.51 118.68 119.76 1rf5 s LEU 10 Ca -0.03 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1rf5 s LEU 10 Cb -0.00 -0.41 -0.01 0.00 0.50 0.00 0.00 46.19 46.28 1rf5 s LEU 10 CO -0.05 -0.29 0.01 -1.00 -1.32 0.00 0.00 176.35 173.70 1rf5 s HIS 11 N 2.00 0.09 0.00 5.38 3.76 -0.36 -1.01 115.29 125.16 1rf5 s HIS 11 Ca 0.02 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 1rf5 s HIS 11 Cb -0.15 -0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.46 1rf5 s HIS 11 CO -0.07 -0.10 0.00 0.41 -0.85 0.00 0.00 174.74 174.13 1rf5 n GLY 12 N 2.39 1.35 3.20 -2.22 0.00 -1.24 -4.02 105.19 104.64 1rf5 n GLY 12 Ca -0.17 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 1rf5 n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rf5 s ILE 13 N -1.74 2.50 0.05 -0.61 1.01 -1.26 -2.08 121.20 119.06 1rf5 s ILE 13 Ca 0.00 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 59.93 1rf5 s ILE 13 Cb 0.00 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 1rf5 s ILE 13 CO 0.00 0.51 -0.20 -0.63 0.00 0.00 0.00 174.94 174.62 1rf5 s ILE 14 N 1.18 2.65 -0.29 2.92 1.01 -0.20 -5.01 121.20 123.47 1rf5 s ILE 14 Ca 0.02 -1.24 0.02 0.00 0.00 0.00 0.00 60.65 59.44 1rf5 s ILE 14 Cb -0.14 -2.11 0.08 0.00 0.01 0.00 0.00 42.46 40.30 1rf5 s ILE 14 CO -0.07 0.33 0.01 -0.13 0.00 0.00 0.00 174.94 175.08 1rf5 s ARG 15 N -1.43 1.41 0.58 2.79 0.52 -1.26 -2.23 118.95 119.32 1rf5 s ARG 15 Ca 0.14 -1.30 -0.16 0.00 -0.52 0.00 0.00 55.73 53.89 1rf5 s ARG 15 Cb -0.10 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 1rf5 s ARG 15 CO 0.05 -0.79 1.05 0.14 0.02 0.00 0.00 175.30 175.77 1rf5 s VAL 16 N 1.28 3.83 0.66 3.52 -7.23 -1.26 -5.01 120.40 116.18 1rf5 s VAL 16 Ca 0.03 0.90 -0.17 0.00 -1.81 0.00 0.00 61.98 60.92 1rf5 s VAL 16 Cb -0.19 -3.40 -0.03 0.00 0.56 0.00 0.00 36.38 33.32 1rf5 s VAL 16 CO -0.11 -0.48 0.85 -2.65 -0.31 0.00 0.00 175.10 172.40 1rf5 n PRO 17 N -1.90 0.62 -1.02 4.82 -0.02 -1.26 -4.60 135.00 131.64 1rf5 n PRO 17 Ca 0.09 0.26 -0.30 0.00 -2.02 0.00 0.00 63.50 61.52 1rf5 n PRO 17 Cb 0.53 -2.09 0.14 0.00 -0.02 0.00 0.00 33.50 32.06 1rf5 n PRO 17 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1rf5 s GLY 18 N -1.42 1.65 0.25 -1.23 0.00 -1.26 -0.77 107.32 104.55 1rf5 s GLY 18 Ca 0.73 0.24 -0.30 0.00 0.00 0.00 0.00 44.72 45.40 1rf5 s GLY 18 CO 0.50 0.68 1.11 -0.35 0.00 0.00 0.00 173.10 175.04 1rf5 s ASP 19 N -3.12 7.24 0.10 1.64 2.15 -0.36 -4.21 116.67 120.12 1rf5 s ASP 19 Ca 0.64 2.24 -0.14 0.00 0.43 0.00 0.00 52.55 55.72 1rf5 s ASP 19 Cb -0.20 -2.62 -0.10 0.00 -0.30 0.00 0.00 42.92 39.70 1rf5 s ASP 19 CO 0.58 -0.18 1.39 0.50 -0.17 0.00 0.00 175.17 177.29 1rf5 h LYS 20 N 4.16 0.76 -0.44 4.34 3.64 -1.94 -2.24 116.57 124.86 1rf5 h LYS 20 Ca -0.46 -0.45 -0.14 0.00 -1.27 0.00 0.00 60.65 58.33 1rf5 h LYS 20 Cb 1.21 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1rf5 h LYS 20 CO 0.69 1.08 -0.28 0.77 -2.27 0.00 0.00 179.45 179.43 1rf5 h SER 21 N 0.50 0.98 0.29 4.20 0.02 -2.00 -2.47 113.55 115.07 1rf5 h SER 21 Ca 0.02 -0.40 -0.18 0.00 -0.84 0.00 0.00 61.79 60.39 1rf5 h SER 21 Cb 1.01 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1rf5 h SER 21 CO 0.10 1.19 -0.74 0.40 -1.14 0.00 0.00 176.83 176.63 1rf5 h ILE 22 N 0.80 1.39 -0.43 3.27 2.04 -1.96 -2.74 117.51 119.88 1rf5 h ILE 22 Ca 0.09 -2.18 -0.05 0.00 1.00 0.00 0.00 64.86 63.72 1rf5 h ILE 22 Cb 0.86 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 1rf5 h ILE 22 CO 0.08 0.65 0.04 0.28 0.00 0.00 0.00 178.15 179.20 1rf5 h SER 23 N 0.26 0.64 -0.18 1.72 0.02 -1.33 -0.85 113.55 113.83 1rf5 h SER 23 Ca -0.03 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.71 1rf5 h SER 23 Cb 1.32 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 1rf5 h SER 23 CO 0.13 0.68 -0.22 0.45 -1.14 0.00 0.00 176.83 176.72 1rf5 h HIS 24 N 0.65 0.57 0.00 3.45 3.86 -1.42 -3.28 115.15 118.98 1rf5 h HIS 24 Ca 0.14 -0.18 -0.08 0.00 -1.16 0.00 0.00 60.37 59.09 1rf5 h HIS 24 Cb 0.34 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1rf5 h HIS 24 CO 0.02 0.86 -0.36 0.00 0.86 0.00 0.00 177.93 179.30 1rf5 h ARG 25 N 0.12 0.00 -0.08 2.45 3.08 -1.29 -2.97 114.38 115.69 1rf5 h ARG 25 Ca 0.02 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1rf5 h ARG 25 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1rf5 h ARG 25 CO 0.05 0.36 -0.26 0.66 -1.07 0.00 0.00 179.97 179.71 1rf5 h SER 26 N 0.00 0.14 0.23 7.04 4.64 -1.21 0.64 113.55 125.02 1rf5 h SER 26 Ca -0.00 -0.04 -0.32 0.00 -0.47 0.00 0.00 61.79 60.96 1rf5 h SER 26 Cb 0.81 -0.04 0.03 0.00 -0.31 0.00 0.00 62.40 62.89 1rf5 h SER 26 CO 0.05 0.41 -1.38 0.40 -0.87 0.00 0.00 176.83 175.44 1rf5 h ILE 27 N 0.13 1.29 0.05 0.95 1.08 -1.61 -2.58 117.51 116.82 1rf5 h ILE 27 Ca 0.02 -2.62 -0.00 0.00 -0.39 0.00 0.00 64.86 61.87 1rf5 h ILE 27 Cb 0.54 2.90 0.00 0.00 -3.07 0.00 0.00 36.82 37.19 1rf5 h ILE 27 CO 0.04 0.79 -0.03 0.40 -0.69 0.00 0.00 178.15 178.66 1rf5 h ILE 28 N 0.20 1.20 -0.20 -0.67 2.04 -1.37 -2.42 117.51 116.30 1rf5 h ILE 28 Ca -0.22 -0.90 -0.09 0.00 1.00 0.00 0.00 64.86 64.65 1rf5 h ILE 28 Cb 2.06 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 39.92 1rf5 h ILE 28 CO 0.26 0.22 -0.26 -0.26 0.00 0.00 0.00 178.15 178.11 1rf5 h PHE 29 N -0.48 0.41 -0.08 1.37 -1.00 -1.02 -2.21 116.94 113.93 1rf5 h PHE 29 Ca -0.01 -0.08 -0.10 0.00 2.81 0.00 0.00 57.97 60.59 1rf5 h PHE 29 Cb 0.42 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 1rf5 h PHE 29 CO 0.06 0.61 -0.40 0.78 -1.61 0.00 0.00 178.31 177.74 1rf5 h GLY 30 N 1.02 0.19 1.37 -1.45 0.00 -1.48 -2.08 103.07 100.65 1rf5 h GLY 30 Ca 0.05 -0.18 -0.30 0.00 0.00 0.00 0.00 47.33 46.90 1rf5 h GLY 30 CO 0.05 0.16 -1.31 1.76 0.00 0.00 0.00 176.54 177.20 1rf5 h SER 31 N 0.15 0.73 1.78 0.19 0.02 -1.23 -3.34 113.55 111.85 1rf5 h SER 31 Ca 0.01 -0.73 -0.02 0.00 -0.84 0.00 0.00 61.79 60.22 1rf5 h SER 31 Cb 0.78 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 1rf5 h SER 31 CO 0.06 1.56 -0.08 -0.07 -1.14 0.00 0.00 176.83 177.15 1rf5 h LEU 32 N 0.17 0.00-10.58 5.07 3.38 -1.37 -2.09 115.31 109.89 1rf5 h LEU 32 Ca -0.19 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.32 1rf5 h LEU 32 Cb 2.00 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.87 1rf5 h LEU 32 CO 0.24 0.08 0.36 0.00 0.09 0.00 0.00 178.44 179.21 1rf5 s ALA 33 N -3.24 2.21 -0.23 1.53 0.00 -0.79 -2.84 121.76 118.40 1rf5 s ALA 33 Ca 0.06 -0.66 -0.08 0.00 0.00 0.00 0.00 51.96 51.28 1rf5 s ALA 33 Cb 0.06 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1rf5 s ALA 33 CO 0.67 -2.04 0.09 -1.21 0.00 0.00 0.00 175.76 173.26 1rf5 s GLU 34 N -5.49 3.80 0.00 0.00 2.02 0.67 -3.35 118.70 116.35 1rf5 s GLU 34 Ca 0.64 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 55.22 1rf5 s GLU 34 Cb -0.12 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.77 1rf5 s GLU 34 CO 0.51 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.15 1rf5 n GLY 35 N 4.53 -0.17 3.76 -1.39 0.00 -1.26 -1.58 105.19 109.08 1rf5 n GLY 35 Ca -0.16 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.38 1rf5 n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rf5 s GLU 36 N 0.00 3.50 -0.13 1.61 2.12 -1.26 -0.84 118.70 123.71 1rf5 s GLU 36 Ca 0.00 -0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.10 1rf5 s GLU 36 Cb 0.00 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.29 1rf5 s GLU 36 CO 0.00 0.61 -0.20 0.99 -0.54 0.00 0.00 175.26 176.11 1rf5 s THR 37 N -0.56 1.90 -0.20 -1.70 2.01 -0.25 -3.59 115.64 113.25 1rf5 s THR 37 Ca 0.11 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.20 1rf5 s THR 37 Cb -0.12 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.71 1rf5 s THR 37 CO 0.02 0.52 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.83 1rf5 s LYS 38 N 0.80 3.25 -0.20 4.92 1.02 -1.10 -0.53 119.74 127.90 1rf5 s LYS 38 Ca -0.09 -0.70 -0.06 0.00 0.02 0.00 0.00 55.97 55.15 1rf5 s LYS 38 Cb -0.16 -2.84 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 1rf5 s LYS 38 CO -0.00 -0.17 0.02 0.08 -0.92 0.00 0.00 175.35 174.36 1rf5 s VAL 39 N 1.33 4.20 0.02 3.17 1.01 0.38 -0.42 120.40 130.08 1rf5 s VAL 39 Ca 0.04 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1rf5 s VAL 39 Cb -0.14 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1rf5 s VAL 39 CO -0.06 0.43 -0.14 -0.31 0.00 0.00 0.00 175.10 175.02 1rf5 s TYR 40 N 0.88 2.67 -1.30 5.22 1.51 0.73 -1.95 117.35 125.12 1rf5 s TYR 40 Ca 0.02 -0.18 -0.02 0.00 -1.01 0.00 0.00 57.07 55.88 1rf5 s TYR 40 Cb -0.14 -1.53 0.01 0.00 -0.11 0.00 0.00 41.96 40.18 1rf5 s TYR 40 CO 0.02 0.27 0.83 -0.25 -1.11 0.00 0.00 175.55 175.31 1rf5 n ASP 41 N 1.68 -1.95 -4.80 2.29 8.00 -1.26 -1.63 116.55 118.88 1rf5 n ASP 41 Ca -0.16 -0.75 -0.33 0.00 0.71 0.00 0.00 54.79 54.26 1rf5 n ASP 41 Cb 0.52 -4.40 -0.01 0.00 -0.02 0.00 0.00 41.12 37.22 1rf5 n ASP 41 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1rf5 s ILE 42 N -3.54 3.84 -0.23 0.53 2.07 -1.26 -4.21 121.20 118.39 1rf5 s ILE 42 Ca 0.08 0.97 -0.29 0.00 -1.41 0.00 0.00 60.65 60.01 1rf5 s ILE 42 Cb -0.04 -3.43 -0.01 0.00 0.13 0.00 0.00 42.46 39.11 1rf5 s ILE 42 CO 0.79 -0.41 1.39 -0.22 -1.91 0.00 0.00 174.94 174.58 1rf5 s LEU 43 N -4.09 3.98 -1.30 8.50 1.98 -1.26 -4.61 118.68 121.88 1rf5 s LEU 43 Ca 0.65 1.48 -0.08 0.00 -2.89 0.00 0.00 54.13 53.28 1rf5 s LEU 43 Cb -0.16 -3.54 0.15 0.00 0.66 0.00 0.00 46.19 43.30 1rf5 s LEU 43 CO 0.30 -1.04 2.02 0.54 -1.89 0.00 0.00 176.35 176.28 1rf5 n ARG 44 N 7.23 3.85 -4.12 1.98 1.74 -1.26 -4.77 116.66 121.31 1rf5 n ARG 44 Ca 0.16 -3.48 -0.26 0.00 -0.77 0.00 0.00 57.85 53.50 1rf5 n ARG 44 Cb 0.46 -2.85 -0.05 0.00 -1.02 0.00 0.00 32.46 28.99 1rf5 n ARG 44 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1rf5 s GLY 45 N 0.77 2.43 0.29 -0.13 0.00 -1.26 -5.05 107.32 104.37 1rf5 s GLY 45 Ca 0.44 -1.64 0.13 0.00 0.00 0.00 0.00 44.72 43.65 1rf5 s GLY 45 CO -0.02 -1.95 1.61 0.83 0.00 0.00 0.00 173.10 173.57 1rf5 h GLU 46 N 1.22 0.00 -0.27 2.90 4.39 -1.98 -2.38 114.58 118.46 1rf5 h GLU 46 Ca -0.41 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.12 1rf5 h GLU 46 Cb 1.27 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1rf5 h GLU 46 CO 0.67 0.57 -0.50 -0.44 -1.16 0.00 0.00 179.01 178.14 1rf5 h ASP 47 N 0.00 0.82 0.29 1.42 3.45 -1.96 -0.45 116.42 120.00 1rf5 h ASP 47 Ca -0.01 -0.42 -0.19 0.00 0.43 0.00 0.00 57.03 56.85 1rf5 h ASP 47 Cb 1.11 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 39.64 1rf5 h ASP 47 CO 0.07 1.17 -0.76 0.58 -1.57 0.00 0.00 179.24 178.74 1rf5 h VAL 48 N 0.59 1.39 0.00 -1.35 2.07 -1.86 -3.04 116.25 114.05 1rf5 h VAL 48 Ca 0.02 -2.20 -0.07 0.00 0.82 0.00 0.00 66.70 65.27 1rf5 h VAL 48 Cb 1.07 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1rf5 h VAL 48 CO 0.11 0.66 -0.34 -0.07 0.02 0.00 0.00 177.57 177.94 1rf5 h LEU 49 N 0.25 0.00 -0.27 2.57 4.07 -1.32 -2.45 115.31 118.17 1rf5 h LEU 49 Ca -0.04 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.80 1rf5 h LEU 49 Cb 1.34 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.08 1rf5 h LEU 49 CO 0.13 0.34 -0.33 0.28 -1.08 0.00 0.00 178.44 177.78 1rf5 h SER 50 N 0.00 0.75 -0.39 -0.43 0.02 -1.02 -2.87 113.55 109.62 1rf5 h SER 50 Ca -0.00 -0.50 -0.08 0.00 -0.84 0.00 0.00 61.79 60.37 1rf5 h SER 50 Cb 0.66 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1rf5 h SER 50 CO 0.04 1.10 -0.05 0.74 -1.14 0.00 0.00 176.83 177.53 1rf5 h THR 51 N 0.43 1.25 -0.70 -2.27 2.02 -1.41 -1.98 112.91 110.24 1rf5 h THR 51 Ca 0.03 -1.08 -0.05 0.00 0.77 0.00 0.00 66.41 66.09 1rf5 h THR 51 Cb 0.91 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 1rf5 h THR 51 CO 0.08 0.38 0.25 0.24 0.37 0.00 0.00 175.52 176.84 1rf5 h MET 52 N 0.74 1.06 0.02 6.66 2.07 -1.44 -2.81 114.93 121.22 1rf5 h MET 52 Ca 0.14 -0.20 -0.21 0.00 -2.07 0.00 0.00 59.70 57.36 1rf5 h MET 52 Cb 0.51 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 30.06 1rf5 h MET 52 CO 0.03 0.88 -0.93 0.37 1.07 0.00 0.00 176.91 178.33 1rf5 h GLN 53 N 1.03 0.17 -0.24 1.72 5.75 -1.35 -2.78 115.11 119.41 1rf5 h GLN 53 Ca 0.23 -0.21 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1rf5 h GLN 53 Cb 0.24 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1rf5 h GLN 53 CO -0.01 0.98 0.13 0.28 -2.65 0.00 0.00 178.83 177.56 1rf5 h VAL 54 N 0.09 1.11 -0.00 2.39 2.07 -1.21 -0.78 116.25 119.91 1rf5 h VAL 54 Ca -0.05 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 1rf5 h VAL 54 Cb 1.59 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1rf5 h VAL 54 CO 0.14 0.10 -0.49 -0.26 0.02 0.00 0.00 177.57 177.09 1rf5 h PHE 55 N 0.28 0.00 -0.12 1.57 -1.00 -1.58 -2.59 116.94 113.51 1rf5 h PHE 55 Ca 0.08 -0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.78 1rf5 h PHE 55 Cb 0.05 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1rf5 h PHE 55 CO -0.04 0.49 -0.31 0.00 -1.61 0.00 0.00 178.31 176.84 1rf5 h ARG 56 N 0.00 0.23 0.00 1.51 3.08 -1.18 -1.13 114.38 116.89 1rf5 h ARG 56 Ca -0.00 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1rf5 h ARG 56 Cb 0.86 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1rf5 h ARG 56 CO 0.06 0.52 -0.27 -0.44 -1.07 0.00 0.00 179.97 178.78 1rf5 h ASP 57 N 0.20 0.00 0.68 7.04 3.32 -0.82 -3.09 116.42 123.76 1rf5 h ASP 57 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1rf5 h ASP 57 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1rf5 h ASP 57 CO 0.05 0.27 -0.23 0.18 -1.72 0.00 0.00 179.24 177.78 1rf5 n LEU 58 N -3.32 0.30 0.00 1.55 4.77 -0.85 -4.15 117.00 115.29 1rf5 n LEU 58 Ca 0.01 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1rf5 n LEU 58 Cb 0.51 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1rf5 n LEU 58 CO 0.35 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1rf5 n GLY 59 N 1.47 1.22 3.70 -0.72 0.00 -0.97 -0.87 105.19 109.02 1rf5 n GLY 59 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1rf5 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf5 s VAL 60 N -2.00 5.08 -0.51 1.61 1.01 -0.49 -4.99 120.40 120.12 1rf5 s VAL 60 Ca 0.00 1.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.90 1rf5 s VAL 60 Cb 0.00 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1rf5 s VAL 60 CO 0.00 0.23 1.27 -0.70 0.00 0.00 0.00 175.10 175.90 1rf5 s GLU 61 N 1.09 3.55 -0.16 2.72 2.12 -1.26 -4.04 118.70 122.73 1rf5 s GLU 61 Ca 0.31 0.54 0.01 0.00 0.36 0.00 0.00 54.97 56.19 1rf5 s GLU 61 Cb -0.16 -4.01 0.02 0.00 0.26 0.00 0.00 34.13 30.24 1rf5 s GLU 61 CO 0.13 -1.62 -0.18 0.42 -0.54 0.00 0.00 175.26 173.48 1rf5 s ILE 62 N 5.13 1.85 -0.27 -3.70 1.01 -1.26 -1.01 121.20 122.95 1rf5 s ILE 62 Ca 0.50 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 1rf5 s ILE 62 Cb -0.09 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1rf5 s ILE 62 CO 0.29 0.51 0.08 -0.70 0.00 0.00 0.00 174.94 175.12 1rf5 s GLU 63 N 1.26 3.46 -0.67 2.79 2.12 0.35 -4.96 118.70 123.05 1rf5 s GLU 63 Ca 0.02 -0.61 -0.16 0.00 0.36 0.00 0.00 54.97 54.59 1rf5 s GLU 63 Cb -0.13 -3.37 0.16 0.00 0.26 0.00 0.00 34.13 31.05 1rf5 s GLU 63 CO -0.10 -0.29 0.65 0.34 -0.54 0.00 0.00 175.26 175.33 1rf5 s ASP 64 N 1.58 6.44 -0.11 -1.70 -1.08 -1.26 -1.42 116.67 119.12 1rf5 s ASP 64 Ca 0.05 -2.13 -0.01 0.00 -0.52 0.00 0.00 52.55 49.94 1rf5 s ASP 64 Cb -0.16 -2.23 0.03 0.00 -1.46 0.00 0.00 42.92 39.11 1rf5 s ASP 64 CO 0.04 -0.78 -0.02 -0.75 0.52 0.00 0.00 175.17 174.18 1rf5 s LYS 65 N 1.17 0.91 -1.51 4.34 2.20 -0.89 -4.88 119.74 121.08 1rf5 s LYS 65 Ca 0.11 -0.12 -0.11 0.00 -0.36 0.00 0.00 55.97 55.48 1rf5 s LYS 65 Cb -0.21 -1.41 0.08 0.00 -1.51 0.00 0.00 37.83 34.78 1rf5 s LYS 65 CO -0.02 -0.36 0.90 -0.25 -0.36 0.00 0.00 175.35 175.25 1rf5 n ASP 66 N 5.06 -3.90 0.00 1.43 8.00 -1.26 -1.20 116.55 124.68 1rf5 n ASP 66 Ca -0.09 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.59 1rf5 n ASP 66 Cb 0.49 -3.77 0.00 0.00 -0.02 0.00 0.00 41.12 37.82 1rf5 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rf5 n GLY 67 N -1.66 0.60 3.30 0.44 0.00 -1.26 -5.01 105.19 101.60 1rf5 n GLY 67 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1rf5 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf5 s VAL 68 N -2.53 2.88 -0.32 1.61 1.01 -0.34 -4.32 120.40 118.39 1rf5 s VAL 68 Ca 0.00 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 1rf5 s VAL 68 Cb 0.00 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1rf5 s VAL 68 CO 0.00 0.51 0.23 -0.63 0.00 0.00 0.00 175.10 175.20 1rf5 s ILE 69 N 0.77 5.29 -0.28 2.22 -1.09 -0.82 -2.08 121.20 125.20 1rf5 s ILE 69 Ca -0.05 -0.05 -0.05 0.00 -2.23 0.00 0.00 60.65 58.26 1rf5 s ILE 69 Cb -0.15 -3.65 0.01 0.00 -1.58 0.00 0.00 42.46 37.09 1rf5 s ILE 69 CO 0.01 0.09 0.03 -0.89 -1.23 0.00 0.00 174.94 172.95 1rf5 s THR 70 N 1.75 3.60 -0.16 2.92 2.01 -0.51 -0.47 115.64 124.79 1rf5 s THR 70 Ca 0.07 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 1rf5 s THR 70 Cb -0.17 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 1rf5 s THR 70 CO 0.11 0.13 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.38 1rf5 s VAL 71 N 1.44 3.19 -0.35 3.82 1.01 0.31 -0.49 120.40 129.33 1rf5 s VAL 71 Ca 0.02 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 1rf5 s VAL 71 Cb -0.17 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 1rf5 s VAL 71 CO 0.00 0.49 0.49 -1.10 0.00 0.00 0.00 175.10 174.98 1rf5 s GLN 72 N 0.75 3.60 0.34 2.72 -1.52 -0.18 -1.09 119.66 124.29 1rf5 s GLN 72 Ca -0.04 -0.21 -0.28 0.00 -1.95 0.00 0.00 55.36 52.88 1rf5 s GLN 72 Cb -0.15 -3.81 -0.10 0.00 -0.22 0.00 0.00 33.01 28.73 1rf5 s GLN 72 CO 0.02 -0.63 1.25 0.20 -0.25 0.00 0.00 175.29 175.87 1rf5 s GLY 73 N 1.76 2.99 -0.01 3.09 0.00 -0.02 -4.13 107.32 110.99 1rf5 s GLY 73 Ca 0.18 1.15 0.15 0.00 0.00 0.00 0.00 44.72 46.19 1rf5 s GLY 73 CO 0.13 1.76 0.43 3.33 0.00 0.00 0.00 173.10 178.75 1rf5 n VAL 74 N 0.71 0.00 0.00 1.40 0.24 -0.79 -4.52 118.33 115.37 1rf5 n VAL 74 Ca 0.01 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 1rf5 n VAL 74 Cb 0.43 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 1rf5 n VAL 74 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rf5 n GLY 75 N 1.54 1.07 0.14 7.63 0.00 -1.21 -4.06 105.19 110.30 1rf5 n GLY 75 Ca -0.01 -2.16 -0.01 0.00 0.00 0.00 0.00 46.02 43.83 1rf5 n GLY 75 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1rf5 h MET 76 N 0.00 0.00 -1.36 1.61 4.05 -1.84 -3.27 114.93 114.11 1rf5 h MET 76 Ca 0.00 0.00 -0.52 0.00 -0.28 0.00 0.00 59.70 58.90 1rf5 h MET 76 Cb 0.00 0.00 -0.41 0.00 -0.80 0.00 0.00 31.60 30.39 1rf5 h MET 76 CO 0.00 0.62 -0.87 0.00 0.23 0.00 0.00 176.91 176.90 1rf5 n ALA 77 N -2.42 4.59 -0.02 0.39 0.00 -1.26 -4.81 120.51 116.98 1rf5 n ALA 77 Ca -0.01 -3.98 0.00 0.00 0.00 0.00 0.00 53.44 49.45 1rf5 n ALA 77 Cb 0.62 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.41 1rf5 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rf5 n GLY 78 N -0.36 1.92 3.75 0.00 0.00 -1.23 -5.03 105.19 104.23 1rf5 n GLY 78 Ca 0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 1rf5 n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rf5 s LEU 79 N -0.76 4.61 0.30 0.99 1.43 -1.26 -4.85 118.68 119.13 1rf5 s LEU 79 Ca 0.00 2.01 0.08 0.00 -1.03 0.00 0.00 54.13 55.19 1rf5 s LEU 79 Cb 0.00 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 1rf5 s LEU 79 CO 0.00 0.06 0.11 -0.54 0.23 0.00 0.00 176.35 176.21 1rf5 s LYS 80 N -1.09 2.47 0.12 1.70 1.02 -0.05 -4.94 119.74 118.97 1rf5 s LYS 80 Ca 0.43 -1.39 -0.31 0.00 0.02 0.00 0.00 55.97 54.71 1rf5 s LYS 80 Cb -0.27 -2.26 -0.08 0.00 -0.52 0.00 0.00 37.83 34.69 1rf5 s LYS 80 CO 0.34 0.26 1.43 0.00 -0.92 0.00 0.00 175.35 176.45 1rf5 s ALA 81 N -2.33 3.63 0.66 5.17 0.00 -1.26 -4.54 121.76 123.09 1rf5 s ALA 81 Ca 0.35 1.17 -0.13 0.00 0.00 0.00 0.00 51.96 53.35 1rf5 s ALA 81 Cb -0.05 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 1rf5 s ALA 81 CO 0.22 -0.65 1.06 -1.25 0.00 0.00 0.00 175.76 175.14 1rf5 s PRO 82 N 1.13 3.02 0.16 0.00 0.04 -1.26 -4.91 135.00 133.18 1rf5 s PRO 82 Ca 0.66 1.10 -0.03 0.00 0.04 0.00 0.00 61.00 62.76 1rf5 s PRO 82 Cb -0.38 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.18 1rf5 s PRO 82 CO 0.30 -1.04 1.41 -0.56 0.04 0.00 0.00 177.00 177.15 1rf5 h GLN 83 N -0.26 0.45 0.00 4.56 -0.00 -1.95 -3.48 115.11 114.43 1rf5 h GLN 83 Ca -0.45 -0.38 -0.10 0.00 -0.00 0.00 0.00 58.65 57.72 1rf5 h GLN 83 Cb 1.22 0.08 -0.03 0.00 -0.00 0.00 0.00 27.48 28.75 1rf5 h GLN 83 CO 0.56 1.01 -0.10 0.09 -0.00 0.00 0.00 178.83 180.40 1rf5 n ASN 84 N -3.84 0.00 -4.77 0.06 4.13 -1.26 -5.14 115.26 104.44 1rf5 n ASN 84 Ca -0.05 -1.46 -0.40 0.00 1.68 0.00 0.00 54.58 54.35 1rf5 n ASN 84 Cb 0.72 0.33 -0.03 0.00 -1.54 0.00 0.00 39.78 39.27 1rf5 n ASN 84 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rf5 s ALA 85 N -2.28 3.46 -0.16 5.41 0.00 -1.26 -4.80 121.76 122.14 1rf5 s ALA 85 Ca 0.08 1.17 -0.27 0.00 0.00 0.00 0.00 51.96 52.94 1rf5 s ALA 85 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1rf5 s ALA 85 CO 0.06 -0.54 0.90 -0.51 0.00 0.00 0.00 175.76 175.67 1rf5 s LEU 86 N -1.75 4.19 -0.27 0.00 1.43 0.12 -4.96 118.68 117.43 1rf5 s LEU 86 Ca 0.48 1.29 -0.21 0.00 -1.03 0.00 0.00 54.13 54.66 1rf5 s LEU 86 Cb -0.38 -3.35 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 1rf5 s LEU 86 CO 0.50 -0.43 0.66 0.21 0.23 0.00 0.00 176.35 177.51 1rf5 s ASN 87 N 1.14 6.58 -0.04 2.29 3.84 -1.26 -1.59 114.94 125.89 1rf5 s ASN 87 Ca 0.41 0.65 0.22 0.00 0.21 0.00 0.00 52.86 54.35 1rf5 s ASN 87 Cb -0.17 -2.35 -0.33 0.00 -0.55 0.00 0.00 41.25 37.86 1rf5 s ASN 87 CO 0.13 -0.43 0.44 0.23 -2.79 0.00 0.00 177.10 174.69 1rf5 n MET 88 N 5.82 0.66 0.00 0.43 2.81 0.46 -4.74 117.12 122.57 1rf5 n MET 88 Ca 0.00 -0.18 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 1rf5 n MET 88 Cb 0.49 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1rf5 n MET 88 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf5 n GLY 89 N 1.31 2.72 0.01 3.03 0.00 -1.25 -3.08 105.19 107.92 1rf5 n GLY 89 Ca -0.07 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.76 1rf5 n GLY 89 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rf5 n ASN 90 N 8.53 0.76 -4.66 1.61 2.85 -1.26 -1.52 115.26 121.58 1rf5 n ASN 90 Ca 0.00 -0.66 -0.43 0.00 -0.11 0.00 0.00 54.58 53.38 1rf5 n ASN 90 Cb 0.00 0.95 -0.02 0.00 1.24 0.00 0.00 39.78 41.95 1rf5 n ASN 90 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1rf5 s SER 91 N -3.29 6.87 0.25 1.20 0.15 -1.18 -4.76 113.70 112.95 1rf5 s SER 91 Ca 0.06 1.84 0.17 0.00 0.70 0.00 0.00 55.95 58.72 1rf5 s SER 91 Cb 0.16 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.98 1rf5 s SER 91 CO 0.84 -0.80 1.30 1.23 1.20 0.00 0.00 173.24 177.01 1rf5 h GLY 92 N 9.82 0.00 0.82 9.45 0.00 -1.92 -3.30 103.07 117.93 1rf5 h GLY 92 Ca -0.30 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 1rf5 h GLY 92 CO 0.96 0.00 -0.19 -0.84 0.00 0.00 0.00 176.54 176.47 1rf5 h THR 93 N 0.00 1.33 -0.32 4.70 2.02 -1.98 -3.07 112.91 115.60 1rf5 h THR 93 Ca -0.04 -1.36 -0.00 0.00 0.77 0.00 0.00 66.41 65.78 1rf5 h THR 93 Cb 1.35 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 69.53 1rf5 h THR 93 CO 0.05 0.41 0.18 -1.28 0.37 0.00 0.00 175.52 175.25 1rf5 h SER 94 N 0.13 0.39 0.26 4.18 0.87 -1.91 -0.76 113.55 116.72 1rf5 h SER 94 Ca 0.03 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.42 1rf5 h SER 94 Cb 0.74 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1rf5 h SER 94 CO 0.05 0.35 -0.40 -0.29 -0.53 0.00 0.00 176.83 176.01 1rf5 h ILE 95 N 0.40 1.30 0.11 2.23 2.10 -1.67 -2.90 117.51 119.09 1rf5 h ILE 95 Ca 0.11 -1.47 -0.25 0.00 1.08 0.00 0.00 64.86 64.34 1rf5 h ILE 95 Cb 0.04 1.68 0.00 0.00 -1.09 0.00 0.00 36.82 37.46 1rf5 h ILE 95 CO -0.02 0.43 -1.22 0.03 -1.08 0.00 0.00 178.15 176.29 1rf5 h ARG 96 N 0.16 0.24 -0.12 2.19 3.08 -1.42 -3.27 114.38 115.24 1rf5 h ARG 96 Ca 0.01 -0.41 -0.06 0.00 0.07 0.00 0.00 59.98 59.60 1rf5 h ARG 96 Cb 0.78 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 1rf5 h ARG 96 CO 0.06 1.20 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.94 1rf5 h LEU 97 N -0.37 0.33 -1.46 3.04 3.38 -1.22 -3.20 115.31 115.82 1rf5 h LEU 97 Ca -0.26 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.16 1rf5 h LEU 97 Cb 1.69 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 1rf5 h LEU 97 CO 0.07 0.77 -0.22 0.40 0.09 0.00 0.00 178.44 179.55 1rf5 h ILE 98 N -0.10 0.70 -0.58 1.22 2.04 -1.71 -2.11 117.51 116.97 1rf5 h ILE 98 Ca 0.02 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 64.94 1rf5 h ILE 98 Cb 0.69 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 1rf5 h ILE 98 CO 0.03 0.22 0.39 0.28 0.00 0.00 0.00 178.15 179.07 1rf5 h SER 99 N 0.00 0.66 1.43 1.72 0.02 -1.60 0.36 113.55 116.14 1rf5 h SER 99 Ca -0.00 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 1rf5 h SER 99 Cb 0.58 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1rf5 h SER 99 CO 0.03 0.47 -0.59 1.23 -1.14 0.00 0.00 176.83 176.83 1rf5 h GLY 100 N 0.78 0.00 1.33 -3.77 0.00 -1.45 -3.29 103.07 96.67 1rf5 h GLY 100 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.35 1rf5 h GLY 100 CO -0.05 0.00 -0.70 -2.08 0.00 0.00 0.00 176.54 173.71 1rf5 h VAL 101 N 0.00 1.31 -0.21 4.60 2.07 -0.87 -2.94 116.25 120.22 1rf5 h VAL 101 Ca -0.03 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.53 1rf5 h VAL 101 Cb 1.31 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1rf5 h VAL 101 CO 0.04 0.61 0.00 0.18 0.02 0.00 0.00 177.57 178.43 1rf5 n LEU 102 N -3.92 2.00 0.15 2.57 4.77 0.04 -4.17 117.00 118.43 1rf5 n LEU 102 Ca -0.06 -1.01 0.02 0.00 -0.03 0.00 0.00 56.01 54.93 1rf5 n LEU 102 Cb 0.70 -0.39 0.35 0.00 -2.33 0.00 0.00 43.42 41.75 1rf5 n LEU 102 CO 0.50 0.35 0.77 0.00 -1.33 0.00 0.00 177.39 177.69 1rf5 h ALA 103 N 2.99 1.39 -0.71 -1.18 0.00 -1.62 -2.87 119.26 117.28 1rf5 h ALA 103 Ca 0.00 -0.30 -0.36 0.00 0.00 0.00 0.00 54.91 54.25 1rf5 h ALA 103 Cb 0.70 -0.07 -0.21 0.00 0.00 0.00 0.00 17.79 18.21 1rf5 h ALA 103 CO 0.09 0.44 0.32 0.41 0.00 0.00 0.00 179.25 180.51 1rf5 n GLY 104 N -0.57 4.63 3.66 0.00 0.00 -1.26 -2.31 105.19 109.33 1rf5 n GLY 104 Ca -0.02 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 1rf5 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf5 s ALA 105 N -3.26 3.60 -0.25 4.61 0.00 -1.08 -4.67 121.76 120.70 1rf5 s ALA 105 Ca 0.52 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.61 1rf5 s ALA 105 Cb 0.45 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 1rf5 s ALA 105 CO 0.06 -0.23 2.94 -3.47 0.00 0.00 0.00 175.76 175.06 1rf5 n ASP 106 N 4.36 5.97 -3.91 0.00 2.03 -1.26 -2.41 116.55 121.33 1rf5 n ASP 106 Ca -0.14 -2.88 -0.08 0.00 0.52 0.00 0.00 54.79 52.21 1rf5 n ASP 106 Cb 0.52 -1.27 -0.03 0.00 -0.72 0.00 0.00 41.12 39.61 1rf5 n ASP 106 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1rf5 s PHE 107 N -0.66 -0.00 -0.15 -0.67 -0.12 -1.26 -5.02 117.98 110.09 1rf5 s PHE 107 Ca 0.55 -0.42 -0.10 0.00 -0.05 0.00 0.00 56.93 56.90 1rf5 s PHE 107 Cb 0.32 0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 43.20 1rf5 s PHE 107 CO -0.11 -1.15 0.19 -2.00 -0.05 0.00 0.00 175.22 172.10 1rf5 s GLU 108 N -3.95 3.93 0.19 1.99 2.12 -1.26 -3.87 118.70 117.85 1rf5 s GLU 108 Ca 0.15 -0.06 0.05 0.00 0.36 0.00 0.00 54.97 55.47 1rf5 s GLU 108 Cb -0.04 -3.33 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 1rf5 s GLU 108 CO 0.08 0.48 -0.09 0.14 -0.54 0.00 0.00 175.26 175.32 1rf5 s VAL 109 N -0.21 1.33 -0.08 3.70 -7.23 -0.39 -4.83 120.40 112.68 1rf5 s VAL 109 Ca 0.14 -2.10 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 1rf5 s VAL 109 Cb -0.12 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.81 1rf5 s VAL 109 CO 0.03 -0.60 -0.11 -0.70 -0.31 0.00 0.00 175.10 173.40 1rf5 s GLU 110 N -3.74 1.73 -0.20 4.82 2.12 -1.26 -1.90 118.70 120.27 1rf5 s GLU 110 Ca 0.21 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 55.15 1rf5 s GLU 110 Cb 0.02 -1.52 0.02 0.00 0.26 0.00 0.00 34.13 32.91 1rf5 s GLU 110 CO 0.04 -0.06 -0.17 -1.64 -0.54 0.00 0.00 175.26 172.89 1rf5 s MET 111 N 0.98 2.95 0.16 4.30 -1.94 -0.56 0.10 119.30 125.29 1rf5 s MET 111 Ca -0.08 -0.87 0.03 0.00 -1.71 0.00 0.00 55.69 53.06 1rf5 s MET 111 Cb -0.15 -2.67 -0.05 0.00 2.01 0.00 0.00 34.83 33.97 1rf5 s MET 111 CO -0.00 -0.26 -0.06 -0.59 -0.01 0.00 0.00 175.02 174.11 1rf5 s PHE 112 N 1.29 1.24 0.00 -0.03 -0.71 -0.62 -1.25 117.98 117.90 1rf5 s PHE 112 Ca 0.03 -0.87 0.00 0.00 -1.04 0.00 0.00 56.93 55.06 1rf5 s PHE 112 Cb -0.14 -0.67 0.00 0.00 -1.21 0.00 0.00 43.02 41.00 1rf5 s PHE 112 CO -0.11 -0.04 0.00 0.41 -1.34 0.00 0.00 175.22 174.14 1rf5 n GLY 113 N -0.22 4.84 0.97 1.99 0.00 -1.26 -0.40 105.19 111.11 1rf5 n GLY 113 Ca -0.09 -1.31 -0.07 0.00 0.00 0.00 0.00 46.02 44.55 1rf5 n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rf5 n ASP 114 N 0.00 0.15 -0.32 1.61 3.85 -0.57 -4.80 116.55 116.46 1rf5 n ASP 114 Ca 0.00 -1.19 -0.04 0.00 -0.71 0.00 0.00 54.79 52.85 1rf5 n ASP 114 Cb 0.00 -0.22 0.09 0.00 -1.35 0.00 0.00 41.12 39.64 1rf5 n ASP 114 CO 0.00 0.00 0.00 -0.78 -1.01 0.00 0.00 177.20 175.41 1rf5 h ASP 115 N -0.33 1.12 -0.23 -1.12 -0.00 -1.98 -0.76 116.42 113.12 1rf5 h ASP 115 Ca -0.10 -0.12 -0.08 0.00 -0.00 0.00 0.00 57.03 56.74 1rf5 h ASP 115 Cb 0.30 -0.29 -0.02 0.00 -0.00 0.00 0.00 39.33 39.33 1rf5 h ASP 115 CO 0.08 0.92 -0.10 -1.28 -0.00 0.00 0.00 179.24 178.86 1rf5 h SER 116 N 1.24 0.60 0.66 2.28 0.87 -1.94 -2.84 113.55 114.41 1rf5 h SER 116 Ca 0.30 -0.16 -0.24 0.00 -1.23 0.00 0.00 61.79 60.46 1rf5 h SER 116 Cb 0.07 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1rf5 h SER 116 CO -0.04 0.74 -1.09 0.25 -0.53 0.00 0.00 176.83 176.16 1rf5 h LEU 117 N 0.57 0.32 -1.20 2.23 6.46 -1.73 -3.31 115.31 118.66 1rf5 h LEU 117 Ca 0.10 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1rf5 h LEU 117 Cb 0.52 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 1rf5 h LEU 117 CO 0.03 1.20 0.00 0.28 -0.62 0.00 0.00 178.44 179.33 1rf5 h SER 118 N 0.08 0.00 1.68 1.25 0.02 -1.01 -2.87 113.55 112.71 1rf5 h SER 118 Ca -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1rf5 h SER 118 Cb 1.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.33 1rf5 h SER 118 CO 0.17 0.00 -0.13 0.11 -1.14 0.00 0.00 176.83 175.84 1rf5 h LYS 119 N 0.00 0.00 -6.06 3.45 1.57 -1.59 -3.36 116.57 110.58 1rf5 h LYS 119 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1rf5 h LYS 119 Cb 0.56 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 1rf5 h LYS 119 CO 0.00 0.00 0.04 1.03 -0.57 0.00 0.00 179.45 179.95 1rf5 s ARG 120 N -3.19 4.39 0.48 3.15 0.52 -1.08 -5.06 118.95 118.16 1rf5 s ARG 120 Ca 0.07 0.81 -0.22 0.00 -0.52 0.00 0.00 55.73 55.88 1rf5 s ARG 120 Cb 0.08 -3.39 -0.08 0.00 0.52 0.00 0.00 34.95 32.08 1rf5 s ARG 120 CO 0.66 0.22 1.10 -1.25 0.02 0.00 0.00 175.30 176.05 1rf5 s PRO 121 N 0.28 3.74 -0.03 3.54 0.04 -1.26 -4.42 135.00 136.90 1rf5 s PRO 121 Ca 0.34 1.58 0.04 0.00 0.04 0.00 0.00 61.00 63.00 1rf5 s PRO 121 Cb -0.18 -2.25 0.06 0.00 0.04 0.00 0.00 34.50 32.17 1rf5 s PRO 121 CO 0.18 -0.52 1.00 -1.33 0.04 0.00 0.00 177.00 176.37 1rf5 n MET 122 N -0.74 2.39 0.28 4.56 2.81 -0.13 -4.76 117.12 121.54 1rf5 n MET 122 Ca 0.08 -1.66 0.15 0.00 -1.81 0.00 0.00 57.70 54.46 1rf5 n MET 122 Cb 0.50 -1.07 0.80 0.00 -0.71 0.00 0.00 33.22 32.74 1rf5 n MET 122 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1rf5 h ASP 123 N 0.00 0.00 1.32 7.83 2.03 -1.56 -2.07 116.42 123.96 1rf5 h ASP 123 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1rf5 h ASP 123 Cb 0.65 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.15 1rf5 h ASP 123 CO 0.00 0.08 0.00 0.03 -1.03 0.00 0.00 179.24 178.32 1rf5 h ARG 124 N 0.00 0.00 0.00 4.15 2.47 -1.87 -2.79 114.38 116.34 1rf5 h ARG 124 Ca -0.00 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.38 1rf5 h ARG 124 Cb 0.31 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.57 1rf5 h ARG 124 CO 0.01 0.00 -2.27 0.28 0.56 0.00 0.00 179.97 178.55 1rf5 n VAL 125 N -2.98 1.27 0.08 2.04 0.31 -0.85 -4.54 118.33 113.67 1rf5 n VAL 125 Ca 0.02 -0.71 -0.07 0.00 -0.01 0.00 0.00 64.34 63.57 1rf5 n VAL 125 Cb 0.37 -0.72 0.04 0.00 -0.91 0.00 0.00 33.84 32.63 1rf5 n VAL 125 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1rf5 h THR 126 N 0.00 1.45 0.53 2.52 1.35 -1.43 -3.09 112.91 114.24 1rf5 h THR 126 Ca -0.50 -2.37 -0.02 0.00 -0.55 0.00 0.00 66.41 62.97 1rf5 h THR 126 Cb 2.05 2.28 -0.00 0.00 -1.73 0.00 0.00 68.15 70.74 1rf5 h THR 126 CO -0.00 0.69 -0.29 0.25 -0.25 0.00 0.00 175.52 175.92 1rf5 h LEU 127 N 0.13 -0.72 -0.99 3.87 6.46 -1.73 -0.94 115.31 121.39 1rf5 h LEU 127 Ca -0.03 0.04 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 1rf5 h LEU 127 Cb 1.35 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 41.47 1rf5 h LEU 127 CO 0.12 -0.48 -0.29 1.55 -0.62 0.00 0.00 178.44 178.72 1rf5 h PRO 128 N -0.77 0.38 0.00 5.25 0.13 -1.80 -3.00 132.00 132.19 1rf5 h PRO 128 Ca -0.07 -0.15 -0.09 0.00 -0.87 0.00 0.00 66.00 64.82 1rf5 h PRO 128 Cb 0.61 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1rf5 h PRO 128 CO 0.09 0.64 -0.45 -0.07 -0.23 0.00 0.00 178.00 177.97 1rf5 h LEU 129 N 0.33 0.00 -0.85 1.56 3.38 -1.47 -2.81 115.31 115.45 1rf5 h LEU 129 Ca 0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1rf5 h LEU 129 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1rf5 h LEU 129 CO 0.05 0.45 -0.50 0.11 0.09 0.00 0.00 178.44 178.64 1rf5 h LYS 130 N 0.00 0.19 0.00 1.13 1.57 -1.03 -2.09 116.57 116.33 1rf5 h LYS 130 Ca -0.00 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1rf5 h LYS 130 Cb 0.87 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1rf5 h LYS 130 CO 0.06 0.64 -0.13 0.87 -0.57 0.00 0.00 179.45 180.32 1rf5 h LYS 131 N 0.15 0.00 0.00 3.15 1.57 -1.41 -2.88 116.57 117.15 1rf5 h LYS 131 Ca 0.01 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 1rf5 h LYS 131 Cb 0.93 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1rf5 h LYS 131 CO 0.07 0.13 -0.75 0.52 -0.57 0.00 0.00 179.45 178.85 1rf5 h MET 132 N 0.00 0.00 0.00 3.15 2.86 -1.38 -3.47 114.93 116.09 1rf5 h MET 132 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1rf5 h MET 132 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1rf5 h MET 132 CO 0.02 0.50 0.00 0.41 1.06 0.00 0.00 176.91 178.90 1rf5 n GLY 133 N 1.27 1.76 3.76 8.32 0.00 -1.09 -1.78 105.19 117.43 1rf5 n GLY 133 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1rf5 n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf5 s VAL 134 N -2.00 5.35 -0.61 1.61 1.01 -0.81 -4.55 120.40 120.40 1rf5 s VAL 134 Ca 0.00 0.41 -0.21 0.00 0.00 0.00 0.00 61.98 62.18 1rf5 s VAL 134 Cb 0.00 -3.55 0.08 0.00 0.00 0.00 0.00 36.38 32.90 1rf5 s VAL 134 CO 0.00 0.45 0.83 -0.55 0.00 0.00 0.00 175.10 175.84 1rf5 s SER 135 N 0.10 6.20 -0.03 3.32 0.15 -0.60 -3.95 113.70 118.89 1rf5 s SER 135 Ca 0.14 -1.06 0.03 0.00 0.70 0.00 0.00 55.95 55.76 1rf5 s SER 135 Cb -0.12 -2.37 -0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1rf5 s SER 135 CO 0.03 -1.25 -0.12 -0.63 1.20 0.00 0.00 173.24 172.48 1rf5 s ILE 136 N 3.42 0.98 -0.13 6.45 1.09 -1.26 -1.07 121.20 130.68 1rf5 s ILE 136 Ca 0.19 -0.48 -0.21 0.00 -1.10 0.00 0.00 60.65 59.05 1rf5 s ILE 136 Cb -0.19 -0.85 0.05 0.00 -1.06 0.00 0.00 42.46 40.41 1rf5 s ILE 136 CO 0.10 0.29 0.52 -0.94 -0.10 0.00 0.00 174.94 174.81 1rf5 s SER 137 N 0.04 -0.51 0.00 3.58 1.04 -1.05 -5.00 113.70 111.79 1rf5 s SER 137 Ca -0.01 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.23 1rf5 s SER 137 Cb -0.08 0.83 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1rf5 s SER 137 CO 0.01 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1rf5 n GLY 138 N 2.11 6.13 3.76 7.32 0.00 -1.26 -1.37 105.19 121.88 1rf5 n GLY 138 Ca -0.16 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.70 1rf5 n GLY 138 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rf5 s GLN 139 N 1.53 4.58 1.41 1.61 -1.52 0.56 -4.69 119.66 123.13 1rf5 s GLN 139 Ca 0.00 1.18 0.00 0.00 -1.95 0.00 0.00 55.36 54.59 1rf5 s GLN 139 Cb 0.00 -3.30 0.00 0.00 -0.22 0.00 0.00 33.01 29.49 1rf5 s GLN 139 CO 0.00 0.47 0.00 0.25 -0.25 0.00 0.00 175.29 175.76 1rf5 n THR 140 N 1.96 0.00 0.15 -0.19 -2.24 -1.26 -0.35 114.28 112.35 1rf5 n THR 140 Ca -0.04 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1rf5 n THR 140 Cb 0.49 -0.10 0.13 0.00 -2.10 0.00 0.00 70.33 68.75 1rf5 n THR 140 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1rf5 h GLU 141 N 0.00 0.00 -0.05 -0.78 4.39 -2.01 -3.09 114.58 113.04 1rf5 h GLU 141 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1rf5 h GLU 141 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1rf5 h GLU 141 CO 0.00 0.52 0.00 2.89 -1.16 0.00 0.00 179.01 181.27 1rf5 n ARG 142 N -3.38 1.24 -3.15 2.33 1.85 -1.26 -4.89 116.66 109.41 1rf5 n ARG 142 Ca 0.01 -0.35 -0.16 0.00 -1.00 0.00 0.00 57.85 56.35 1rf5 n ARG 142 Cb 0.67 -1.35 0.01 0.00 -1.05 0.00 0.00 32.46 30.75 1rf5 n ARG 142 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1rf5 n ASP 143 N -0.45 -7.02 -4.86 2.89 8.00 -1.11 -2.03 116.55 111.97 1rf5 n ASP 143 Ca 0.16 0.09 -0.34 0.00 0.71 0.00 0.00 54.79 55.41 1rf5 n ASP 143 Cb 0.16 -4.10 -0.05 0.00 -0.02 0.00 0.00 41.12 37.10 1rf5 n ASP 143 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rf5 s LEU 144 N -3.10 4.28 0.46 0.64 1.43 0.53 -0.95 118.68 121.98 1rf5 s LEU 144 Ca 0.21 0.93 -0.24 0.00 -1.03 0.00 0.00 54.13 54.00 1rf5 s LEU 144 Cb -0.04 -3.33 -0.09 0.00 0.03 0.00 0.00 46.19 42.76 1rf5 s LEU 144 CO 0.81 0.06 1.21 -2.65 0.23 0.00 0.00 176.35 176.00 1rf5 n PRO 145 N 0.50 1.68 -2.19 1.29 -0.02 -1.26 -0.33 135.00 134.68 1rf5 n PRO 145 Ca -0.04 0.61 -0.32 0.00 -2.02 0.00 0.00 63.50 61.73 1rf5 n PRO 145 Cb 0.52 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 1rf5 n PRO 145 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1rf5 s PRO 146 N -2.34 3.74 0.11 0.52 0.04 -1.26 -4.77 135.00 131.04 1rf5 s PRO 146 Ca 0.65 0.94 0.08 0.00 0.04 0.00 0.00 61.00 62.71 1rf5 s PRO 146 Cb -0.49 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1rf5 s PRO 146 CO 0.55 -0.45 -0.16 -0.51 0.04 0.00 0.00 177.00 176.47 1rf5 s LEU 147 N -4.46 2.79 -0.18 -3.56 1.43 -0.38 -3.98 118.68 110.35 1rf5 s LEU 147 Ca 0.59 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 53.18 1rf5 s LEU 147 Cb -0.11 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1rf5 s LEU 147 CO 0.38 0.18 -0.14 -0.13 0.23 0.00 0.00 176.35 176.88 1rf5 s ARG 148 N -2.13 3.19 -0.02 1.70 0.52 -0.47 -1.50 118.95 120.25 1rf5 s ARG 148 Ca 0.19 -0.74 0.08 0.00 -0.52 0.00 0.00 55.73 54.74 1rf5 s ARG 148 Cb -0.11 -2.70 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 1rf5 s ARG 148 CO 0.11 -0.10 -0.26 -1.17 0.02 0.00 0.00 175.30 173.90 1rf5 s LEU 149 N 1.11 2.05 -0.18 2.53 0.20 -0.80 -2.53 118.68 121.06 1rf5 s LEU 149 Ca 0.00 -0.47 -0.05 0.00 0.69 0.00 0.00 54.13 54.30 1rf5 s LEU 149 Cb -0.14 -1.34 0.07 0.00 -0.43 0.00 0.00 46.19 44.35 1rf5 s LEU 149 CO -0.04 0.32 0.12 -0.75 -0.29 0.00 0.00 176.35 175.70 1rf5 s LYS 150 N -0.59 0.09 0.49 1.98 2.20 -0.23 -1.26 119.74 122.42 1rf5 s LYS 150 Ca 0.09 -0.04 -0.06 0.00 -0.36 0.00 0.00 55.97 55.60 1rf5 s LYS 150 Cb -0.10 -1.69 0.11 0.00 -1.51 0.00 0.00 37.83 34.63 1rf5 s LYS 150 CO -0.01 -0.68 0.67 0.41 -0.36 0.00 0.00 175.35 175.38 1rf5 n GLY 151 N 5.29 -0.75 2.95 5.54 0.00 -1.01 -1.56 105.19 115.64 1rf5 n GLY 151 Ca -0.07 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 1rf5 n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rf5 s THR 152 N -2.28 0.17 -0.03 2.61 2.01 -0.98 -4.64 115.64 112.50 1rf5 s THR 152 Ca 0.39 -0.51 0.22 0.00 0.31 0.00 0.00 61.69 62.11 1rf5 s THR 152 Cb -0.01 -0.23 0.22 0.00 0.01 0.00 0.00 72.50 72.49 1rf5 s THR 152 CO 0.27 -0.22 1.71 0.11 -0.69 0.00 0.00 174.62 175.80 1rf5 h LYS 153 N 5.36 0.00 -2.67 4.92 6.56 -1.88 -3.35 116.57 125.52 1rf5 h LYS 153 Ca -0.29 0.00 -0.80 0.00 -1.06 0.00 0.00 60.65 58.50 1rf5 h LYS 153 Cb 1.21 0.00 -0.29 0.00 -0.57 0.00 0.00 32.23 32.58 1rf5 h LYS 153 CO 0.46 0.24 0.77 0.09 -2.06 0.00 0.00 179.45 178.95 1rf5 n ASN 154 N -3.28 6.56 -4.75 0.86 3.02 -1.26 -5.02 115.26 111.40 1rf5 n ASN 154 Ca 0.01 -3.51 -0.41 0.00 -0.03 0.00 0.00 54.58 50.65 1rf5 n ASN 154 Cb 0.51 -1.20 -0.04 0.00 -0.61 0.00 0.00 39.78 38.44 1rf5 n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rf5 s LEU 155 N -3.27 4.51 -0.12 3.41 1.43 -1.25 -4.94 118.68 118.45 1rf5 s LEU 155 Ca 0.34 2.23 -0.08 0.00 -1.03 0.00 0.00 54.13 55.59 1rf5 s LEU 155 Cb 0.10 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 1rf5 s LEU 155 CO 0.03 -0.22 0.16 -0.13 0.23 0.00 0.00 176.35 176.42 1rf5 s ARG 156 N -0.91 3.56 0.63 1.70 0.52 -0.73 -3.19 118.95 120.51 1rf5 s ARG 156 Ca 0.48 -0.09 -0.18 0.00 -0.52 0.00 0.00 55.73 55.42 1rf5 s ARG 156 Cb -0.32 -3.22 -0.02 0.00 0.52 0.00 0.00 34.95 31.92 1rf5 s ARG 156 CO 0.39 0.72 1.20 -1.25 0.02 0.00 0.00 175.30 176.38 1rf5 s PRO 157 N -0.89 2.79 -0.05 3.54 0.04 -1.26 -4.65 135.00 134.51 1rf5 s PRO 157 Ca 0.15 1.79 0.06 0.00 0.04 0.00 0.00 61.00 63.04 1rf5 s PRO 157 Cb -0.12 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1rf5 s PRO 157 CO 0.04 -1.34 -0.23 -1.50 0.04 0.00 0.00 177.00 174.01 1rf5 s ILE 158 N -1.72 2.24 -0.52 0.56 2.07 -1.26 -4.92 121.20 117.64 1rf5 s ILE 158 Ca 0.76 -1.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.03 1rf5 s ILE 158 Cb -0.30 -1.82 0.13 0.00 0.13 0.00 0.00 42.46 40.61 1rf5 s ILE 158 CO 0.36 0.57 0.27 -1.00 -1.91 0.00 0.00 174.94 173.23 1rf5 s HIS 159 N -0.30 3.19 -0.01 3.50 3.76 -1.26 -1.22 115.29 122.95 1rf5 s HIS 159 Ca 0.01 -3.16 0.08 0.00 -0.15 0.00 0.00 55.06 51.83 1rf5 s HIS 159 Cb -0.13 -2.83 -0.02 0.00 1.11 0.00 0.00 32.58 30.71 1rf5 s HIS 159 CO 0.02 -0.74 -0.26 -0.47 -0.85 0.00 0.00 174.74 172.44 1rf5 s TYR 160 N -0.30 2.29 -0.27 1.40 6.14 -1.04 -5.02 117.35 120.55 1rf5 s TYR 160 Ca 0.17 -0.43 -0.07 0.00 0.64 0.00 0.00 57.07 57.38 1rf5 s TYR 160 Cb -0.26 -1.45 -0.01 0.00 0.42 0.00 0.00 41.96 40.65 1rf5 s TYR 160 CO -0.00 -0.01 0.07 -2.00 0.64 0.00 0.00 175.55 174.25 1rf5 s GLU 161 N -0.71 3.45 -0.10 4.97 2.56 -1.26 -2.07 118.70 125.53 1rf5 s GLU 161 Ca 0.10 -0.61 -0.30 0.00 0.00 0.00 0.00 54.97 54.16 1rf5 s GLU 161 Cb -0.10 -3.34 -0.03 0.00 2.00 0.00 0.00 34.13 32.66 1rf5 s GLU 161 CO -0.00 -0.28 1.33 -0.51 -0.56 0.00 0.00 175.26 175.23 1rf5 s LEU 162 N 1.57 4.24 0.46 2.70 1.02 -0.86 -4.92 118.68 122.90 1rf5 s LEU 162 Ca 0.05 1.86 0.26 0.00 0.02 0.00 0.00 54.13 56.32 1rf5 s LEU 162 Cb -0.16 -3.54 0.70 0.00 0.02 0.00 0.00 46.19 43.20 1rf5 s LEU 162 CO 0.03 -0.74 1.73 1.55 0.02 0.00 0.00 176.35 178.94 1rf5 h PRO 163 N 8.19 0.00 -6.14 1.29 0.13 -1.98 -3.35 132.00 130.14 1rf5 h PRO 163 Ca -0.32 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.24 1rf5 h PRO 163 Cb 1.14 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.03 1rf5 h PRO 163 CO 0.94 0.06 -0.84 -1.50 -0.23 0.00 0.00 178.00 176.44 1rf5 s ILE 164 N -3.37 1.70 -1.33 -3.56 -1.16 -1.26 -5.02 121.20 107.20 1rf5 s ILE 164 Ca 0.04 -1.34 -0.17 0.00 -0.51 0.00 0.00 60.65 58.67 1rf5 s ILE 164 Cb 0.07 -1.51 0.07 0.00 0.61 0.00 0.00 42.46 41.70 1rf5 s ILE 164 CO 0.63 0.10 1.83 0.00 -2.81 0.00 0.00 174.94 174.70 1rf5 n ALA 165 N 1.54 4.02 -3.34 1.50 0.00 -1.26 -4.63 120.51 118.34 1rf5 n ALA 165 Ca -0.18 -3.89 -0.26 0.00 0.00 0.00 0.00 53.44 49.11 1rf5 n ALA 165 Cb 0.53 -3.55 -0.17 0.00 0.00 0.00 0.00 19.45 16.27 1rf5 n ALA 165 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rf5 s SER 166 N 3.87 2.06 0.14 0.00 0.15 -1.26 -5.00 113.70 113.66 1rf5 s SER 166 Ca 0.52 -0.35 0.08 0.00 0.70 0.00 0.00 55.95 56.89 1rf5 s SER 166 Cb 0.06 -0.90 -0.17 0.00 -1.71 0.00 0.00 66.02 63.29 1rf5 s SER 166 CO 0.04 0.07 1.30 0.00 1.20 0.00 0.00 173.24 175.85 1rf5 h ALA 167 N 6.82 0.39 -0.20 5.45 0.00 -1.91 -3.01 119.26 126.80 1rf5 h ALA 167 Ca -0.29 -0.86 -0.12 0.00 0.00 0.00 0.00 54.91 53.64 1rf5 h ALA 167 Cb 1.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1rf5 h ALA 167 CO 0.47 1.19 -0.37 1.96 0.00 0.00 0.00 179.25 182.50 1rf5 h GLN 168 N 0.00 0.44 0.02 0.00 4.20 -1.95 0.72 115.11 118.54 1rf5 h GLN 168 Ca -0.01 -0.21 -0.26 0.00 0.06 0.00 0.00 58.65 58.23 1rf5 h GLN 168 Cb 1.72 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 29.51 1rf5 h GLN 168 CO 0.12 0.75 -1.05 0.28 -0.67 0.00 0.00 178.83 178.27 1rf5 h VAL 169 N 0.37 1.31 -0.46 -0.54 2.07 -1.94 -2.81 116.25 114.26 1rf5 h VAL 169 Ca 0.04 -2.33 -0.04 0.00 0.82 0.00 0.00 66.70 65.19 1rf5 h VAL 169 Cb 0.82 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 1rf5 h VAL 169 CO 0.07 0.71 0.14 0.50 0.02 0.00 0.00 177.57 179.01 1rf5 h LYS 170 N 0.34 0.71 -0.18 1.57 3.64 -1.37 -2.83 116.57 118.45 1rf5 h LYS 170 Ca -0.12 -0.15 -0.15 0.00 -1.27 0.00 0.00 60.65 58.95 1rf5 h LYS 170 Cb 1.70 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.41 1rf5 h LYS 170 CO 0.20 0.68 -0.51 0.77 -2.27 0.00 0.00 179.45 178.32 1rf5 h SER 171 N 0.60 0.55 -0.82 4.20 0.02 -0.95 -2.90 113.55 114.25 1rf5 h SER 171 Ca 0.15 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1rf5 h SER 171 Cb 0.27 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1rf5 h SER 171 CO -0.00 0.97 0.44 0.00 -1.14 0.00 0.00 176.83 177.10 1rf5 h ALA 172 N 1.05 1.22 0.00 3.77 0.00 -1.42 -2.15 119.26 121.73 1rf5 h ALA 172 Ca 0.02 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1rf5 h ALA 172 Cb 1.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1rf5 h ALA 172 CO 0.09 0.62 -0.57 -0.07 0.00 0.00 0.00 179.25 179.33 1rf5 h LEU 173 N 1.16 0.00 -0.50 0.00 4.07 -1.47 -2.79 115.31 115.78 1rf5 h LEU 173 Ca 0.29 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 58.09 1rf5 h LEU 173 Cb 0.04 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1rf5 h LEU 173 CO -0.05 0.57 -0.62 0.24 -1.08 0.00 0.00 178.44 177.50 1rf5 h MET 174 N 0.00 0.45 0.00 1.13 2.86 -1.23 -0.04 114.93 118.09 1rf5 h MET 174 Ca -0.01 -0.31 -0.12 0.00 -2.06 0.00 0.00 59.70 57.20 1rf5 h MET 174 Cb 1.13 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 1rf5 h MET 174 CO 0.07 0.93 -0.58 0.74 1.06 0.00 0.00 176.91 179.13 1rf5 h PHE 175 N 0.33 0.00 0.08 -0.22 0.05 -1.39 -2.45 116.94 113.34 1rf5 h PHE 175 Ca -0.01 0.00 -0.25 0.00 3.82 0.00 0.00 57.97 61.53 1rf5 h PHE 175 Cb 1.17 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.12 1rf5 h PHE 175 CO 0.04 0.58 -1.12 0.00 -0.18 0.00 0.00 178.31 177.64 1rf5 h ALA 176 N 1.42 0.22 0.00 2.45 0.00 -1.31 -3.25 119.26 118.79 1rf5 h ALA 176 Ca -0.01 -0.82 -0.05 0.00 0.00 0.00 0.00 54.91 54.03 1rf5 h ALA 176 Cb 1.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1rf5 h ALA 176 CO 0.08 0.93 -0.23 0.00 0.00 0.00 0.00 179.25 180.02 1rf5 h ALA 177 N 0.67 0.96 0.00 0.00 0.00 -0.98 -2.17 119.26 117.75 1rf5 h ALA 177 Ca -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1rf5 h ALA 177 Cb 1.81 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1rf5 h ALA 177 CO 0.18 0.29 0.00 1.25 0.00 0.00 0.00 179.25 180.98 1rf5 h LEU 178 N 0.00 0.00 0.00 0.00 5.85 -1.47 -3.11 115.31 116.58 1rf5 h LEU 178 Ca -0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.48 1rf5 h LEU 178 Cb 0.85 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 1rf5 h LEU 178 CO 0.03 0.00 -2.08 0.00 -0.34 0.00 0.00 178.44 176.05 1rf5 n GLN 179 N -2.81 1.06 -1.60 1.25 6.02 -1.07 -2.28 117.38 117.95 1rf5 n GLN 179 Ca 0.01 -0.05 -0.33 0.00 -0.01 0.00 0.00 57.00 56.62 1rf5 n GLN 179 Cb 0.28 -1.44 0.07 0.00 1.02 0.00 0.00 30.24 30.17 1rf5 n GLN 179 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rf5 s ALA 180 N -2.63 2.33 -0.49 -1.58 0.00 -0.84 -4.62 121.76 113.93 1rf5 s ALA 180 Ca -0.08 0.60 -0.16 0.00 0.00 0.00 0.00 51.96 52.33 1rf5 s ALA 180 Cb 0.07 -3.36 0.08 0.00 0.00 0.00 0.00 23.12 19.92 1rf5 s ALA 180 CO 0.71 -1.52 0.44 0.15 0.00 0.00 0.00 175.76 175.55 1rf5 s LYS 181 N -4.14 2.99 0.00 0.00 3.01 -1.19 -3.09 119.74 117.32 1rf5 s LYS 181 Ca 0.68 -1.39 0.00 0.00 -1.01 0.00 0.00 55.97 54.25 1rf5 s LYS 181 Cb -0.22 -4.17 0.00 0.00 -1.01 0.00 0.00 37.83 32.43 1rf5 s LYS 181 CO 0.44 -1.12 0.00 0.41 0.51 0.00 0.00 175.35 175.59 1rf5 n GLY 182 N 5.21 0.76 3.70 -3.33 0.00 -1.14 -4.36 105.19 106.03 1rf5 n GLY 182 Ca -0.12 -2.06 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 1rf5 n GLY 182 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rf5 s GLU 183 N -1.19 4.17 -0.08 1.61 2.12 -1.26 -2.47 118.70 121.59 1rf5 s GLU 183 Ca 0.00 -0.09 0.03 0.00 0.36 0.00 0.00 54.97 55.27 1rf5 s GLU 183 Cb 0.00 -3.48 0.01 0.00 0.26 0.00 0.00 34.13 30.92 1rf5 s GLU 183 CO 0.00 0.15 -0.18 -1.12 -0.54 0.00 0.00 175.26 173.58 1rf5 s SER 184 N 0.72 2.39 -0.10 -1.70 0.01 -0.88 -4.47 113.70 109.66 1rf5 s SER 184 Ca 0.12 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1rf5 s SER 184 Cb -0.13 -1.05 -0.02 0.00 0.21 0.00 0.00 66.02 65.03 1rf5 s SER 184 CO 0.03 0.10 -0.11 0.68 0.41 0.00 0.00 173.24 174.35 1rf5 s VAL 185 N 0.45 3.29 -0.19 3.43 -7.23 -0.35 -0.97 120.40 118.83 1rf5 s VAL 185 Ca -0.15 -0.60 0.01 0.00 -1.81 0.00 0.00 61.98 59.43 1rf5 s VAL 185 Cb -0.16 -2.36 0.03 0.00 0.56 0.00 0.00 36.38 34.45 1rf5 s VAL 185 CO 0.06 0.55 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.61 1rf5 s ILE 186 N -0.12 1.96 -0.21 -0.62 1.01 0.89 -2.51 121.20 121.61 1rf5 s ILE 186 Ca -0.00 -1.04 -0.08 0.00 0.00 0.00 0.00 60.65 59.52 1rf5 s ILE 186 Cb -0.13 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1rf5 s ILE 186 CO 0.03 0.37 0.09 -0.63 0.00 0.00 0.00 174.94 174.80 1rf5 s ILE 187 N 1.29 4.84 0.30 2.92 1.01 -0.88 -0.39 121.20 130.30 1rf5 s ILE 187 Ca 0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 60.65 60.46 1rf5 s ILE 187 Cb -0.15 -3.22 -0.09 0.00 0.01 0.00 0.00 42.46 39.01 1rf5 s ILE 187 CO -0.11 0.41 0.81 -1.61 0.00 0.00 0.00 174.94 174.44 1rf5 s GLU 188 N 0.78 4.26 0.01 2.79 2.02 -0.93 -2.03 118.70 125.61 1rf5 s GLU 188 Ca 0.05 0.96 -0.19 0.00 0.02 0.00 0.00 54.97 55.81 1rf5 s GLU 188 Cb -0.13 -2.65 -0.27 0.00 0.10 0.00 0.00 34.13 31.18 1rf5 s GLU 188 CO 0.02 0.25 1.06 -0.22 0.02 0.00 0.00 175.26 176.39 1rf5 h LYS 189 N 2.86 0.47 -4.08 1.61 1.63 -1.82 -3.46 116.57 113.76 1rf5 h LYS 189 Ca -0.48 -0.59 -0.11 0.00 -0.85 0.00 0.00 60.65 58.63 1rf5 h LYS 189 Cb 1.19 0.19 -0.15 0.00 -0.60 0.00 0.00 32.23 32.86 1rf5 h LYS 189 CO 0.65 1.23 -0.56 -2.00 -3.45 0.00 0.00 179.45 175.31 1rf5 s GLU 190 N -2.98 0.71 -0.14 1.90 2.56 -1.26 -5.03 118.70 114.46 1rf5 s GLU 190 Ca -0.12 -1.13 -0.29 0.00 0.00 0.00 0.00 54.97 53.43 1rf5 s GLU 190 Cb 0.04 0.26 -0.04 0.00 2.00 0.00 0.00 34.13 36.39 1rf5 s GLU 190 CO 0.86 -0.17 1.63 0.71 -0.56 0.00 0.00 175.26 177.73 1rf5 s TYR 191 N -3.90 2.07 0.25 5.30 1.51 -1.26 -4.91 117.35 116.40 1rf5 s TYR 191 Ca 0.07 0.41 0.02 0.00 -1.01 0.00 0.00 57.07 56.56 1rf5 s TYR 191 Cb 0.07 -3.92 -0.01 0.00 -0.11 0.00 0.00 41.96 38.00 1rf5 s TYR 191 CO -0.10 -3.31 0.06 -2.37 -1.11 0.00 0.00 175.55 168.72 1rf5 n THR 192 N 5.94 0.00 -1.67 -0.71 5.66 -1.26 -5.04 114.28 117.19 1rf5 n THR 192 Ca 0.18 -1.38 -0.57 0.00 -3.05 0.00 0.00 64.05 59.24 1rf5 n THR 192 Cb 0.44 0.44 -0.07 0.00 -1.55 0.00 0.00 70.33 69.59 1rf5 n THR 192 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1rf5 n ARG 193 N -0.58 1.05 -1.71 1.09 1.74 -1.26 -4.89 116.66 112.10 1rf5 n ARG 193 Ca -0.05 0.38 -0.24 0.00 -0.77 0.00 0.00 57.85 57.17 1rf5 n ARG 193 Cb 0.36 -2.04 0.06 0.00 -1.02 0.00 0.00 32.46 29.81 1rf5 n ARG 193 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1rf5 n ASN 194 N 4.39 5.31 0.14 0.55 6.94 -1.26 -4.71 115.26 126.63 1rf5 n ASN 194 Ca 0.24 -3.77 0.01 0.00 -0.02 0.00 0.00 54.58 51.04 1rf5 n ASN 194 Cb 0.13 -0.53 0.18 0.00 -2.36 0.00 0.00 39.78 37.21 1rf5 n ASN 194 CO 0.00 0.00 0.00 0.45 -1.03 0.00 0.00 177.26 176.68 1rf5 h HIS 195 N 2.00 0.00 -0.15 -2.53 3.86 -1.97 -2.90 115.15 113.46 1rf5 h HIS 195 Ca 0.41 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.47 1rf5 h HIS 195 Cb 1.36 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.82 1rf5 h HIS 195 CO 1.01 0.58 -0.52 1.15 0.86 0.00 0.00 177.93 181.01 1rf5 h THR 196 N 0.00 1.34 -0.06 2.45 2.02 -1.95 -2.24 112.91 114.46 1rf5 h THR 196 Ca -0.01 -1.77 -0.13 0.00 0.77 0.00 0.00 66.41 65.27 1rf5 h THR 196 Cb 1.12 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 1rf5 h THR 196 CO 0.07 0.54 -0.56 -0.33 0.37 0.00 0.00 175.52 175.61 1rf5 h GLU 197 N 0.32 0.19 -0.01 6.66 3.07 -1.90 -2.25 114.58 120.66 1rf5 h GLU 197 Ca 0.01 -0.12 -0.21 0.00 -0.50 0.00 0.00 59.36 58.54 1rf5 h GLU 197 Cb 1.02 0.01 0.02 0.00 -0.84 0.00 0.00 28.75 28.96 1rf5 h GLU 197 CO 0.09 0.70 -0.80 -0.44 -1.40 0.00 0.00 179.01 177.16 1rf5 h ASP 198 N 0.14 0.72 1.08 1.42 3.45 -1.44 -3.19 116.42 118.60 1rf5 h ASP 198 Ca -0.00 -0.74 -0.07 0.00 0.43 0.00 0.00 57.03 56.65 1rf5 h ASP 198 Cb 1.03 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.58 1rf5 h ASP 198 CO 0.08 1.37 -0.31 -0.03 -1.57 0.00 0.00 179.24 178.78 1rf5 h MET 199 N 0.15 0.00 -0.29 3.56 4.05 -1.43 -2.54 114.93 118.43 1rf5 h MET 199 Ca -0.10 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.27 1rf5 h MET 199 Cb 1.48 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.27 1rf5 h MET 199 CO 0.16 0.31 -0.04 1.25 0.23 0.00 0.00 176.91 178.82 1rf5 h LEU 200 N 0.00 0.54 -1.56 3.39 5.85 -1.48 -1.93 115.31 120.12 1rf5 h LEU 200 Ca -0.00 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 1rf5 h LEU 200 Cb 0.93 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1rf5 h LEU 200 CO 0.04 0.75 -0.20 1.56 -0.34 0.00 0.00 178.44 180.25 1rf5 h GLN 201 N 0.32 0.00 -0.12 1.25 4.20 -1.52 0.37 115.11 119.60 1rf5 h GLN 201 Ca 0.08 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 1rf5 h GLN 201 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1rf5 h GLN 201 CO 0.02 0.20 -0.28 0.37 -0.67 0.00 0.00 178.83 178.47 1rf5 h GLN 202 N 0.00 0.41 -0.09 1.46 4.15 -1.21 -3.29 115.11 116.54 1rf5 h GLN 202 Ca -0.00 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1rf5 h GLN 202 Cb 0.52 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1rf5 h GLN 202 CO 0.03 0.88 0.00 1.19 -1.93 0.00 0.00 178.83 179.00 1rf5 n PHE 203 N -4.43 0.11 0.00 3.99 3.01 -0.75 -4.86 117.46 114.53 1rf5 n PHE 203 Ca -0.07 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.33 1rf5 n PHE 203 Cb 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1rf5 n PHE 203 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rf5 n GLY 204 N 0.96 1.00 3.96 1.37 0.00 -1.15 -0.37 105.19 110.95 1rf5 n GLY 204 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1rf5 n GLY 204 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rf5 s GLY 205 N -2.00 1.75 -0.01 -0.02 0.00 0.13 -4.87 107.32 102.29 1rf5 s GLY 205 Ca 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.45 1rf5 s GLY 205 CO 0.00 -0.80 -0.03 0.30 0.00 0.00 0.00 173.10 172.56 1rf5 s HIS 206 N -3.20 0.39 0.14 1.90 3.76 -1.26 -4.38 115.29 112.64 1rf5 s HIS 206 Ca 0.63 -0.07 -0.10 0.00 -0.15 0.00 0.00 55.06 55.38 1rf5 s HIS 206 Cb -0.08 -0.31 -0.00 0.00 1.11 0.00 0.00 32.58 33.30 1rf5 s HIS 206 CO 0.44 -0.05 0.28 -0.48 -0.85 0.00 0.00 174.74 174.08 1rf5 s LEU 207 N 0.22 1.02 -0.15 0.89 0.05 -1.26 -4.52 118.68 114.92 1rf5 s LEU 207 Ca -0.02 -0.76 -0.15 0.00 0.05 0.00 0.00 54.13 53.25 1rf5 s LEU 207 Cb -0.05 1.23 -0.06 0.00 -2.05 0.00 0.00 46.19 45.26 1rf5 s LEU 207 CO -0.00 -0.85 -0.30 -1.20 -0.55 0.00 0.00 176.35 173.44 1rf5 n SER 208 N -0.18 1.82 -1.70 1.48 7.64 -1.17 -5.05 113.62 116.46 1rf5 n SER 208 Ca -0.10 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1rf5 n SER 208 Cb 0.63 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1rf5 n SER 208 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1rf5 n VAL 209 N -4.31 -9.41 -3.27 0.44 0.31 -1.26 -4.98 118.33 95.86 1rf5 n VAL 209 Ca -0.15 2.12 -0.25 0.00 -0.01 0.00 0.00 64.34 66.04 1rf5 n VAL 209 Cb 0.48 -4.68 -0.07 0.00 -0.91 0.00 0.00 33.84 28.67 1rf5 n VAL 209 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1rf5 n ASP 210 N 1.19 2.31 -3.25 4.52 -0.08 0.17 -4.99 116.55 116.43 1rf5 n ASP 210 Ca 0.00 -3.16 -0.25 0.00 -1.51 0.00 0.00 54.79 49.87 1rf5 n ASP 210 Cb 0.00 -0.64 0.02 0.00 2.34 0.00 0.00 41.12 42.84 1rf5 n ASP 210 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rf5 n GLY 211 N 0.89 -0.55 1.88 0.27 0.00 -1.26 -2.91 105.19 103.51 1rf5 n GLY 211 Ca 0.26 1.15 0.00 0.00 0.00 0.00 0.00 46.02 47.43 1rf5 n GLY 211 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rf5 n LYS 212 N -0.43 0.00 -2.78 1.61 5.02 -1.26 -5.00 118.16 115.32 1rf5 n LYS 212 Ca -0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 1rf5 n LYS 212 Cb 0.59 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.57 1rf5 n LYS 212 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1rf5 s LYS 213 N 0.00 4.09 -0.30 1.97 3.01 -1.15 -2.20 119.74 125.16 1rf5 s LYS 213 Ca 0.00 0.95 -0.06 0.00 -1.01 0.00 0.00 55.97 55.85 1rf5 s LYS 213 Cb 0.00 -3.70 0.02 0.00 -1.01 0.00 0.00 37.83 33.14 1rf5 s LYS 213 CO 0.00 -0.72 0.07 0.42 0.51 0.00 0.00 175.35 175.63 1rf5 s ILE 214 N 3.23 3.81 -0.22 2.17 1.01 0.48 0.45 121.20 132.13 1rf5 s ILE 214 Ca 0.39 -0.83 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 1rf5 s ILE 214 Cb -0.14 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1rf5 s ILE 214 CO 0.11 0.03 0.15 -0.89 0.00 0.00 0.00 174.94 174.35 1rf5 s THR 215 N 1.46 5.38 -0.05 2.92 2.01 -1.26 -0.07 115.64 126.02 1rf5 s THR 215 Ca 0.01 0.20 -0.00 0.00 0.31 0.00 0.00 61.69 62.21 1rf5 s THR 215 Cb -0.18 -3.49 0.03 0.00 0.01 0.00 0.00 72.50 68.87 1rf5 s THR 215 CO 0.02 0.39 -0.02 0.54 -0.69 0.00 0.00 174.62 174.86 1rf5 s VAL 216 N 0.71 0.42 0.39 3.82 0.11 -0.14 -3.04 120.40 122.67 1rf5 s VAL 216 Ca 0.08 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.10 1rf5 s VAL 216 Cb -0.12 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1rf5 s VAL 216 CO 0.01 0.23 0.66 -1.10 -3.33 0.00 0.00 175.10 171.57 1rf5 s GLN 217 N 1.37 3.55 0.12 1.54 -1.52 -1.26 -2.08 119.66 121.38 1rf5 s GLN 217 Ca -0.04 -0.00 -0.17 0.00 -1.95 0.00 0.00 55.36 53.20 1rf5 s GLN 217 Cb -0.13 -2.52 0.04 0.00 -0.22 0.00 0.00 33.01 30.17 1rf5 s GLN 217 CO -0.02 0.00 0.42 0.20 -0.25 0.00 0.00 175.29 175.64 1rf5 s GLY 218 N -3.85 -0.30 0.45 3.09 0.00 -1.03 -4.52 107.32 101.16 1rf5 s GLY 218 Ca 0.44 0.02 -0.13 0.00 0.00 0.00 0.00 44.72 45.06 1rf5 s GLY 218 CO 0.38 -0.24 0.85 2.56 0.00 0.00 0.00 173.10 176.65 1rf5 s PRO 219 N -3.68 3.84 0.05 2.90 0.04 -1.18 -2.87 135.00 134.11 1rf5 s PRO 219 Ca 0.02 0.65 0.09 0.00 0.04 0.00 0.00 61.00 61.80 1rf5 s PRO 219 Cb 0.01 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1rf5 s PRO 219 CO -0.11 -0.13 -0.24 -0.65 0.04 0.00 0.00 177.00 175.91 1rf5 s GLN 220 N -3.94 1.87 -0.12 4.56 -0.21 -0.97 -5.04 119.66 115.82 1rf5 s GLN 220 Ca 0.54 -1.08 -0.00 0.00 0.02 0.00 0.00 55.36 54.84 1rf5 s GLN 220 Cb -0.10 -2.04 -0.02 0.00 1.00 0.00 0.00 33.01 31.85 1rf5 s GLN 220 CO 0.31 0.52 -0.11 0.15 -2.12 0.00 0.00 175.29 174.04 1rf5 s LYS 221 N -1.33 3.26 0.30 2.91 -0.14 -1.26 -4.85 119.74 118.63 1rf5 s LYS 221 Ca 0.13 -0.65 0.09 0.00 -1.36 0.00 0.00 55.97 54.18 1rf5 s LYS 221 Cb -0.10 -2.64 -0.05 0.00 -1.68 0.00 0.00 37.83 33.37 1rf5 s LYS 221 CO 0.03 0.31 0.02 -0.51 -0.76 0.00 0.00 175.35 174.44 1rf5 s LEU 222 N 0.11 3.12 0.03 3.17 1.43 -1.26 -4.78 118.68 120.50 1rf5 s LEU 222 Ca -0.05 -0.78 0.09 0.00 -1.03 0.00 0.00 54.13 52.35 1rf5 s LEU 222 Cb -0.15 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1rf5 s LEU 222 CO 0.04 -0.12 -0.26 -0.89 0.23 0.00 0.00 176.35 175.35 1rf5 s THR 223 N -2.41 2.16 0.32 5.49 2.01 0.50 -0.24 115.64 123.47 1rf5 s THR 223 Ca 0.34 -1.31 -0.29 0.00 0.31 0.00 0.00 61.69 60.74 1rf5 s THR 223 Cb -0.04 -1.82 -0.10 0.00 0.01 0.00 0.00 72.50 70.55 1rf5 s THR 223 CO 0.20 0.42 1.40 -0.83 -0.69 0.00 0.00 174.62 175.12 1rf5 s GLY 224 N -1.10 2.77 0.18 4.40 0.00 -0.61 -4.66 107.32 108.30 1rf5 s GLY 224 Ca 0.11 1.38 0.06 0.00 0.00 0.00 0.00 44.72 46.28 1rf5 s GLY 224 CO 0.01 2.13 -0.13 1.20 0.00 0.00 0.00 173.10 176.32 1rf5 s GLN 225 N -1.45 1.21 -0.45 2.90 -1.52 -1.24 -4.81 119.66 114.31 1rf5 s GLN 225 Ca 0.53 -1.52 -0.26 0.00 -1.95 0.00 0.00 55.36 52.16 1rf5 s GLN 225 Cb -0.42 -0.92 0.03 0.00 -0.22 0.00 0.00 33.01 31.47 1rf5 s GLN 225 CO 0.53 0.14 0.94 0.21 -0.25 0.00 0.00 175.29 176.86 1rf5 s LYS 226 N -3.64 3.60 -0.24 2.91 2.20 -1.26 -2.70 119.74 120.61 1rf5 s LYS 226 Ca 0.20 0.26 -0.07 0.00 -0.36 0.00 0.00 55.97 56.00 1rf5 s LYS 226 Cb 0.00 -3.90 -0.03 0.00 -1.51 0.00 0.00 37.83 32.39 1rf5 s LYS 226 CO 0.04 -1.19 0.05 0.08 -0.36 0.00 0.00 175.35 173.98 1rf5 s VAL 227 N 3.76 4.20 -0.38 4.02 1.01 0.43 -5.00 120.40 128.44 1rf5 s VAL 227 Ca 0.38 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.09 1rf5 s VAL 227 Cb -0.10 -2.95 0.08 0.00 0.00 0.00 0.00 36.38 33.40 1rf5 s VAL 227 CO 0.25 0.36 0.17 -0.69 0.00 0.00 0.00 175.10 175.19 1rf5 s VAL 228 N 1.49 3.64 -0.02 2.92 1.01 -1.26 -0.19 120.40 127.99 1rf5 s VAL 228 Ca 0.06 -1.56 -0.30 0.00 0.00 0.00 0.00 61.98 60.18 1rf5 s VAL 228 Cb -0.15 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 1rf5 s VAL 228 CO 0.03 -0.44 1.62 -0.69 0.00 0.00 0.00 175.10 175.62 1rf5 s VAL 229 N 1.30 3.48 0.50 2.92 1.01 -0.64 -4.98 120.40 123.99 1rf5 s VAL 229 Ca 0.02 0.71 -0.22 0.00 0.00 0.00 0.00 61.98 62.50 1rf5 s VAL 229 Cb -0.22 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 1rf5 s VAL 229 CO -0.00 -0.04 1.23 -2.84 0.00 0.00 0.00 175.10 173.44 1rf5 s PRO 230 N 3.48 3.48 0.48 2.72 0.02 -1.26 -4.79 135.00 139.13 1rf5 s PRO 230 Ca 0.72 1.92 -0.22 0.00 0.02 0.00 0.00 61.00 63.43 1rf5 s PRO 230 Cb -0.34 -2.30 -0.07 0.00 0.02 0.00 0.00 34.50 31.80 1rf5 s PRO 230 CO 0.30 -0.82 1.19 0.20 -0.33 0.00 0.00 177.00 177.53 1rf5 s GLY 231 N -1.27 2.78 0.09 0.52 0.00 -1.08 -1.22 107.32 107.14 1rf5 s GLY 231 Ca 0.68 0.98 -0.31 0.00 0.00 0.00 0.00 44.72 46.07 1rf5 s GLY 231 CO 0.38 1.44 1.54 -0.35 0.00 0.00 0.00 173.10 176.11 1rf5 s ASP 232 N -1.34 6.68 0.35 1.64 3.68 0.05 -0.94 116.67 126.79 1rf5 s ASP 232 Ca 0.66 2.43 0.14 0.00 2.13 0.00 0.00 52.55 57.91 1rf5 s ASP 232 Cb -0.30 -2.57 0.63 0.00 -1.45 0.00 0.00 42.92 39.22 1rf5 s ASP 232 CO 0.36 -0.80 1.75 0.40 0.13 0.00 0.00 175.17 177.01 1rf5 h ILE 233 N 4.51 1.22 -0.60 4.11 2.04 -1.91 -1.45 117.51 125.44 1rf5 h ILE 233 Ca -0.42 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 63.86 1rf5 h ILE 233 Cb 1.20 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 39.12 1rf5 h ILE 233 CO 0.91 0.44 0.34 0.28 0.00 0.00 0.00 178.15 180.11 1rf5 h SER 234 N 0.00 0.75 0.72 1.72 0.02 -1.92 0.14 113.55 114.98 1rf5 h SER 234 Ca -0.00 -0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 60.66 1rf5 h SER 234 Cb 0.84 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1rf5 h SER 234 CO 0.06 0.62 -0.89 0.28 -1.14 0.00 0.00 176.83 175.76 1rf5 h SER 235 N 0.82 0.14 1.02 3.07 0.02 -1.90 -3.29 113.55 113.43 1rf5 h SER 235 Ca 0.21 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 1rf5 h SER 235 Cb 0.03 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1rf5 h SER 235 CO -0.04 0.95 -0.58 0.00 -1.14 0.00 0.00 176.83 176.03 1rf5 h ALA 236 N 1.03 0.76 0.00 3.77 0.00 -1.02 -3.26 119.26 120.55 1rf5 h ALA 236 Ca -0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 1rf5 h ALA 236 Cb 1.54 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1rf5 h ALA 236 CO 0.13 0.73 -0.18 0.00 0.00 0.00 0.00 179.25 179.93 1rf5 h ALA 237 N 1.42 1.33 -0.10 0.00 0.00 -0.78 -1.64 119.26 119.47 1rf5 h ALA 237 Ca -0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1rf5 h ALA 237 Cb 1.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1rf5 h ALA 237 CO 0.08 0.22 -0.25 0.74 0.00 0.00 0.00 179.25 180.03 1rf5 h PHE 238 N 0.00 0.20 0.04 0.00 -1.00 -1.71 -1.66 116.94 112.81 1rf5 h PHE 238 Ca -0.00 -0.03 -0.28 0.00 2.81 0.00 0.00 57.97 60.46 1rf5 h PHE 238 Cb 0.42 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.90 1rf5 h PHE 238 CO 0.00 0.43 -1.53 -1.49 -1.61 0.00 0.00 178.31 174.10 1rf5 h TRP 239 N 0.17 0.14 -0.38 -0.55 4.06 -1.59 -3.11 115.95 114.69 1rf5 h TRP 239 Ca 0.03 -0.10 -0.10 0.00 2.06 0.00 0.00 58.89 60.78 1rf5 h TRP 239 Cb 0.54 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.68 1rf5 h TRP 239 CO 0.01 1.15 -0.17 -0.07 -3.56 0.00 0.00 178.44 175.79 1rf5 h LEU 240 N 0.02 0.72 -0.08 -4.49 3.38 -1.18 -1.66 115.31 112.01 1rf5 h LEU 240 Ca -0.23 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.38 1rf5 h LEU 240 Cb 1.96 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 42.52 1rf5 h LEU 240 CO 0.11 0.89 -0.47 0.58 0.09 0.00 0.00 178.44 179.64 1rf5 h VAL 241 N 0.64 1.39 -0.14 1.22 2.07 -1.45 -3.27 116.25 116.71 1rf5 h VAL 241 Ca 0.10 -1.84 -0.05 0.00 0.82 0.00 0.00 66.70 65.73 1rf5 h VAL 241 Cb 0.65 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1rf5 h VAL 241 CO 0.05 0.54 -0.15 0.00 0.02 0.00 0.00 177.57 178.03 1rf5 h ALA 242 N 0.44 1.49 -0.39 1.67 0.00 -1.47 -2.28 119.26 118.72 1rf5 h ALA 242 Ca -0.04 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1rf5 h ALA 242 Cb 1.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1rf5 h ALA 242 CO 0.10 0.36 -0.27 0.78 0.00 0.00 0.00 179.25 180.22 1rf5 h GLY 243 N 0.77 0.89 2.00 0.00 0.00 -1.39 -0.78 103.07 104.57 1rf5 h GLY 243 Ca 0.04 -0.80 -0.08 0.00 0.00 0.00 0.00 47.33 46.49 1rf5 h GLY 243 CO 0.02 0.73 -0.40 1.41 0.00 0.00 0.00 176.54 178.31 1rf5 h LEU 244 N 0.70 0.00 0.07 3.11 3.38 -1.56 -2.93 115.31 118.08 1rf5 h LEU 244 Ca 0.09 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.71 1rf5 h LEU 244 Cb 0.81 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1rf5 h LEU 244 CO 0.07 0.40 -1.99 -0.38 0.09 0.00 0.00 178.44 176.62 1rf5 n ILE 245 N -3.38 1.68 -2.73 1.22 5.41 -0.88 -2.77 119.36 117.92 1rf5 n ILE 245 Ca 0.01 -0.70 -0.40 0.00 1.00 0.00 0.00 62.75 62.65 1rf5 n ILE 245 Cb 0.58 -1.43 -0.05 0.00 -0.71 0.00 0.00 39.64 38.03 1rf5 n ILE 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1rf5 s ALA 246 N -2.56 3.31 0.51 -1.39 0.00 -0.32 -5.01 121.76 116.31 1rf5 s ALA 246 Ca -0.18 0.61 -0.21 0.00 0.00 0.00 0.00 51.96 52.18 1rf5 s ALA 246 Cb 0.07 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.89 1rf5 s ALA 246 CO 0.77 0.11 1.18 -1.25 0.00 0.00 0.00 175.76 176.57 1rf5 s PRO 247 N -0.74 3.45 -1.29 0.00 0.04 -1.26 -3.87 135.00 131.32 1rf5 s PRO 247 Ca 0.43 1.79 -0.14 0.00 0.04 0.00 0.00 61.00 63.13 1rf5 s PRO 247 Cb -0.25 -2.20 0.01 0.00 0.04 0.00 0.00 34.50 32.09 1rf5 s PRO 247 CO 0.31 -0.81 0.56 0.09 0.04 0.00 0.00 177.00 177.19 1rf5 n ASN 248 N -0.95 -2.63 -4.18 6.66 3.02 -1.26 -4.07 115.26 111.85 1rf5 n ASN 248 Ca 0.10 -1.09 -0.20 0.00 -0.03 0.00 0.00 54.58 53.36 1rf5 n ASN 248 Cb 0.49 -2.77 -0.12 0.00 -0.61 0.00 0.00 39.78 36.76 1rf5 n ASN 248 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1rf5 s SER 249 N -3.91 1.82 -0.22 6.41 0.01 -1.25 -3.77 113.70 112.79 1rf5 s SER 249 Ca 0.26 -0.59 -0.09 0.00 1.31 0.00 0.00 55.95 56.84 1rf5 s SER 249 Cb -0.11 -0.08 0.09 0.00 0.21 0.00 0.00 66.02 66.14 1rf5 s SER 249 CO 0.91 -0.03 0.49 -0.60 0.41 0.00 0.00 173.24 174.42 1rf5 s ARG 250 N -1.63 0.42 -0.02 12.44 3.52 -0.18 -1.93 118.95 131.58 1rf5 s ARG 250 Ca 0.00 1.12 0.06 0.00 -0.13 0.00 0.00 55.73 56.78 1rf5 s ARG 250 Cb -0.10 0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 33.68 1rf5 s ARG 250 CO 0.02 -0.22 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.58 1rf5 s LEU 251 N 2.45 2.04 -0.12 -0.88 1.43 -0.05 -3.71 118.68 119.83 1rf5 s LEU 251 Ca -0.04 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1rf5 s LEU 251 Cb -0.11 -1.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 1rf5 s LEU 251 CO -0.15 0.25 -0.13 -0.69 0.23 0.00 0.00 176.35 175.87 1rf5 s VAL 252 N -0.47 3.11 -0.25 -1.59 1.01 -0.88 -1.47 120.40 119.86 1rf5 s VAL 252 Ca 0.08 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1rf5 s VAL 252 Cb -0.08 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 34.05 1rf5 s VAL 252 CO -0.01 0.53 -0.11 -0.76 0.00 0.00 0.00 175.10 174.75 1rf5 s LEU 253 N 0.22 3.20 -0.10 3.92 1.02 0.33 -1.04 118.68 126.23 1rf5 s LEU 253 Ca -0.08 -1.19 -0.29 0.00 0.02 0.00 0.00 54.13 52.60 1rf5 s LEU 253 Cb -0.15 -1.56 -0.02 0.00 0.02 0.00 0.00 46.19 44.48 1rf5 s LEU 253 CO 0.05 -0.15 0.96 -1.10 0.02 0.00 0.00 176.35 176.13 1rf5 s GLN 254 N 1.17 4.41 -0.59 1.70 -1.52 -0.95 -0.94 119.66 122.95 1rf5 s GLN 254 Ca -0.05 1.30 -0.16 0.00 -1.95 0.00 0.00 55.36 54.51 1rf5 s GLN 254 Cb -0.18 -3.53 0.02 0.00 -0.22 0.00 0.00 33.01 29.09 1rf5 s GLN 254 CO -0.06 -0.27 0.64 0.09 -0.25 0.00 0.00 175.29 175.44 1rf5 n ASN 255 N 4.88 -6.53 -4.67 5.90 4.13 -1.25 -4.73 115.26 112.99 1rf5 n ASN 255 Ca 0.07 -0.13 -0.35 0.00 1.68 0.00 0.00 54.58 55.85 1rf5 n ASN 255 Cb 0.49 -3.49 -0.10 0.00 -1.54 0.00 0.00 39.78 35.15 1rf5 n ASN 255 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1rf5 s VAL 256 N -2.46 4.41 0.21 2.41 1.01 0.06 -2.63 120.40 123.41 1rf5 s VAL 256 Ca 0.18 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1rf5 s VAL 256 Cb -0.03 -2.89 -0.16 0.00 0.00 0.00 0.00 36.38 33.30 1rf5 s VAL 256 CO 0.82 0.58 0.89 0.61 0.00 0.00 0.00 175.10 178.00 1rf5 n GLY 257 N 2.46 -0.68 0.21 4.51 0.00 -0.11 -1.05 105.19 110.54 1rf5 n GLY 257 Ca -0.18 0.41 0.03 0.00 0.00 0.00 0.00 46.02 46.28 1rf5 n GLY 257 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1rf5 n ILE 258 N 0.56 0.73 -1.70 -0.61 0.13 0.44 -4.75 119.36 114.17 1rf5 n ILE 258 Ca 0.14 -0.85 -0.43 0.00 -1.10 0.00 0.00 62.75 60.51 1rf5 n ILE 258 Cb 0.26 0.35 -0.02 0.00 -0.84 0.00 0.00 39.64 39.39 1rf5 n ILE 258 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1rf5 n ASN 259 N -0.52 3.11 -0.34 9.51 5.15 -1.25 -4.86 115.26 126.06 1rf5 n ASN 259 Ca 0.05 1.16 0.00 0.00 -0.60 0.00 0.00 54.58 55.19 1rf5 n ASN 259 Cb 0.58 -1.49 0.14 0.00 -0.53 0.00 0.00 39.78 38.48 1rf5 n ASN 259 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1rf5 h GLU 260 N 4.10 1.09 0.00 1.20 3.07 -1.97 -2.31 114.58 119.76 1rf5 h GLU 260 Ca -0.46 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 1rf5 h GLU 260 Cb 1.26 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 1rf5 h GLU 260 CO 0.74 0.72 0.00 0.25 -1.40 0.00 0.00 179.01 179.33 1rf5 n THR 261 N -4.53 0.00 -0.70 1.13 -2.24 -1.26 -3.19 114.28 103.49 1rf5 n THR 261 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1rf5 n THR 261 Cb 0.13 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1rf5 n THR 261 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rf5 n ARG 262 N -0.84 -0.06 -1.62 -0.78 1.74 -0.90 -4.29 116.66 109.91 1rf5 n ARG 262 Ca 0.14 -0.28 -0.36 0.00 -0.77 0.00 0.00 57.85 56.59 1rf5 n ARG 262 Cb 0.06 -0.65 0.04 0.00 -1.02 0.00 0.00 32.46 30.90 1rf5 n ARG 262 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1rf5 n THR 263 N -0.03 3.54 0.13 0.55 -2.24 -1.01 -4.57 114.28 110.66 1rf5 n THR 263 Ca 0.00 -3.55 -0.01 0.00 -2.27 0.00 0.00 64.05 58.21 1rf5 n THR 263 Cb 0.23 -1.25 0.14 0.00 -2.10 0.00 0.00 70.33 67.34 1rf5 n THR 263 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1rf5 h GLY 264 N 2.72 0.00 1.57 3.38 0.00 -1.70 -3.24 103.07 105.80 1rf5 h GLY 264 Ca 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.77 1rf5 h GLY 264 CO 1.40 0.00 -0.32 1.19 0.00 0.00 0.00 176.54 178.81 1rf5 h ILE 265 N 0.00 1.28 -0.62 2.60 6.09 -1.80 -2.85 117.51 122.22 1rf5 h ILE 265 Ca -0.01 -1.41 -0.09 0.00 -1.37 0.00 0.00 64.86 61.98 1rf5 h ILE 265 Cb 1.18 1.46 -0.02 0.00 0.47 0.00 0.00 36.82 39.91 1rf5 h ILE 265 CO 0.08 0.44 0.03 0.40 -3.07 0.00 0.00 178.15 176.04 1rf5 h ILE 266 N 0.42 1.27 0.00 2.19 2.04 -1.92 -1.83 117.51 119.67 1rf5 h ILE 266 Ca 0.05 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 1rf5 h ILE 266 Cb 0.77 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1rf5 h ILE 266 CO 0.06 0.41 -0.27 0.44 0.00 0.00 0.00 178.15 178.79 1rf5 h ASP 267 N 0.97 0.00 -0.03 1.72 5.19 -1.59 -1.37 116.42 121.31 1rf5 h ASP 267 Ca 0.18 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.56 1rf5 h ASP 267 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 1rf5 h ASP 267 CO 0.03 0.27 -0.11 0.58 -3.12 0.00 0.00 179.24 176.88 1rf5 h VAL 268 N 0.00 1.49 -0.88 -1.35 2.07 -1.25 -2.76 116.25 113.57 1rf5 h VAL 268 Ca -0.00 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 65.91 1rf5 h VAL 268 Cb 0.47 2.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 1rf5 h VAL 268 CO 0.03 0.43 0.54 0.40 0.02 0.00 0.00 177.57 179.00 1rf5 h ILE 269 N -0.47 1.24 -0.58 4.57 2.04 -1.21 -1.18 117.51 121.91 1rf5 h ILE 269 Ca -0.01 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 1rf5 h ILE 269 Cb 0.77 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1rf5 h ILE 269 CO 0.02 0.25 0.21 0.03 0.00 0.00 0.00 178.15 178.66 1rf5 h ARG 270 N 1.21 0.89 -0.14 2.37 2.47 -1.33 0.32 114.38 120.18 1rf5 h ARG 270 Ca 0.32 -0.17 -0.16 0.00 -1.26 0.00 0.00 59.98 58.71 1rf5 h ARG 270 Cb -0.07 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.11 1rf5 h ARG 270 CO -0.06 0.78 -0.58 0.00 0.56 0.00 0.00 179.97 180.67 1rf5 h ALA 271 N 1.07 0.75 0.00 0.04 0.00 -1.24 -3.07 119.26 116.82 1rf5 h ALA 271 Ca 0.19 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1rf5 h ALA 271 Cb 0.24 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1rf5 h ALA 271 CO -0.01 0.70 -0.04 0.52 0.00 0.00 0.00 179.25 180.42 1rf5 h MET 272 N 0.33 0.00 0.00 0.00 2.86 -1.11 -3.47 114.93 113.54 1rf5 h MET 272 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1rf5 h MET 272 Cb 1.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.77 1rf5 h MET 272 CO 0.10 0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.53 1rf5 n GLY 273 N 0.09 1.63 3.78 8.32 0.00 -0.99 -1.50 105.19 116.53 1rf5 n GLY 273 Ca 0.01 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 1rf5 n GLY 273 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rf5 s GLY 274 N -2.22 2.89 -1.28 -0.02 0.00 0.07 -4.72 107.32 102.04 1rf5 s GLY 274 Ca 0.00 0.35 -0.19 0.00 0.00 0.00 0.00 44.72 44.89 1rf5 s GLY 274 CO 0.00 0.84 1.75 0.54 0.00 0.00 0.00 173.10 176.23 1rf5 s LYS 275 N -1.29 3.81 -0.24 2.90 1.02 -1.26 -4.66 119.74 120.02 1rf5 s LYS 275 Ca 0.37 -1.87 -0.08 0.00 0.02 0.00 0.00 55.97 54.41 1rf5 s LYS 275 Cb -0.22 -5.50 -0.04 0.00 -0.52 0.00 0.00 37.83 31.55 1rf5 s LYS 275 CO 0.26 -2.45 0.10 -1.17 -0.92 0.00 0.00 175.35 171.16 1rf5 s LEU 276 N 5.02 3.69 -0.14 3.17 2.96 -1.26 -3.22 118.68 128.91 1rf5 s LEU 276 Ca 0.55 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 54.34 1rf5 s LEU 276 Cb 0.03 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1rf5 s LEU 276 CO 0.08 0.02 0.03 -1.61 -1.32 0.00 0.00 176.35 173.55 1rf5 s GLU 277 N 1.30 3.60 -0.22 1.98 2.02 0.14 -4.97 118.70 122.55 1rf5 s GLU 277 Ca 0.06 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.67 1rf5 s GLU 277 Cb -0.15 -3.04 0.03 0.00 0.10 0.00 0.00 34.13 31.07 1rf5 s GLU 277 CO 0.05 0.43 -0.12 0.42 0.02 0.00 0.00 175.26 176.06 1rf5 s ILE 278 N -0.10 2.48 0.27 -1.63 1.01 -1.26 -1.15 121.20 120.81 1rf5 s ILE 278 Ca 0.06 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1rf5 s ILE 278 Cb -0.12 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 1rf5 s ILE 278 CO 0.02 0.31 0.07 0.42 0.00 0.00 0.00 174.94 175.76 1rf5 s THR 279 N 1.28 0.76 -1.07 2.92 -4.23 -0.53 -4.96 115.64 109.83 1rf5 s THR 279 Ca 0.01 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.35 1rf5 s THR 279 Cb -0.16 -2.62 -0.01 0.00 1.34 0.00 0.00 72.50 71.05 1rf5 s THR 279 CO -0.08 -0.06 0.77 -0.62 -0.54 0.00 0.00 174.62 174.09 1rf5 n GLU 280 N -0.50 -1.24 -2.73 3.99 1.02 -1.26 -0.39 120.64 119.52 1rf5 n GLU 280 Ca -0.01 0.58 -0.42 0.00 -0.02 0.00 0.00 57.16 57.29 1rf5 n GLU 280 Cb 0.66 -4.08 -0.03 0.00 -0.02 0.00 0.00 31.44 27.97 1rf5 n GLU 280 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rf5 s ILE 281 N -3.37 4.82 -0.48 -3.67 1.01 -1.26 -3.69 121.20 114.57 1rf5 s ILE 281 Ca 0.39 1.97 -0.17 0.00 0.00 0.00 0.00 60.65 62.83 1rf5 s ILE 281 Cb -0.14 -4.28 0.06 0.00 0.01 0.00 0.00 42.46 38.11 1rf5 s ILE 281 CO 0.86 0.05 0.51 -0.62 0.00 0.00 0.00 174.94 175.73 1rf5 s ASP 282 N 1.07 6.19 0.31 3.58 -1.08 0.22 -4.96 116.67 122.01 1rf5 s ASP 282 Ca 0.47 -1.02 0.16 0.00 -0.52 0.00 0.00 52.55 51.64 1rf5 s ASP 282 Cb -0.18 -2.24 0.38 0.00 -1.46 0.00 0.00 42.92 39.42 1rf5 s ASP 282 CO 0.19 -0.74 1.59 1.55 0.52 0.00 0.00 175.17 178.28 1rf5 h PRO 283 N 8.86 0.00 0.00 4.34 0.13 -1.96 -1.25 132.00 142.13 1rf5 h PRO 283 Ca -0.28 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.65 1rf5 h PRO 283 Cb 1.10 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 1rf5 h PRO 283 CO 0.90 0.49 -1.08 -0.39 -0.23 0.00 0.00 178.00 177.69 1rf5 h VAL 284 N 0.00 1.33 -0.01 1.56 -1.51 -1.96 -3.34 116.25 112.32 1rf5 h VAL 284 Ca -0.00 -2.99 0.00 0.00 -1.23 0.00 0.00 66.70 62.47 1rf5 h VAL 284 Cb 1.15 2.64 0.00 0.00 -2.13 0.00 0.00 31.29 32.95 1rf5 h VAL 284 CO 0.06 0.76 -0.35 0.00 -1.23 0.00 0.00 177.57 176.81 1rf5 n ALA 285 N -2.37 3.14 -3.19 5.19 0.00 -1.24 -4.82 120.51 117.22 1rf5 n ALA 285 Ca -0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 52.91 1rf5 n ALA 285 Cb 0.92 -0.41 0.03 0.00 0.00 0.00 0.00 19.45 20.00 1rf5 n ALA 285 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1rf5 n LYS 286 N -0.63 -1.75 -3.84 0.00 4.01 -0.51 -4.81 118.16 110.63 1rf5 n LYS 286 Ca 0.04 1.16 -0.12 0.00 -0.51 0.00 0.00 58.31 58.88 1rf5 n LYS 286 Cb 0.22 -5.67 -0.10 0.00 -0.51 0.00 0.00 35.03 28.96 1rf5 n LYS 286 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1rf5 s SER 287 N -3.20 -0.07 0.03 4.39 1.04 -0.95 -0.42 113.70 114.53 1rf5 s SER 287 Ca 0.23 0.01 -0.13 0.00 0.48 0.00 0.00 55.95 56.55 1rf5 s SER 287 Cb -0.03 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.38 1rf5 s SER 287 CO 0.75 -0.28 0.27 0.00 0.98 0.00 0.00 173.24 174.96 1rf5 s ALA 288 N -0.90 -0.60 -0.04 5.32 0.00 -0.21 0.71 121.76 126.04 1rf5 s ALA 288 Ca -0.10 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 1rf5 s ALA 288 Cb -0.05 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1rf5 s ALA 288 CO 0.01 -0.37 1.19 0.99 0.00 0.00 0.00 175.76 177.58 1rf5 s THR 289 N -2.30 4.27 -0.24 0.00 2.01 0.47 -0.76 115.64 119.09 1rf5 s THR 289 Ca -0.07 1.60 -0.02 0.00 0.31 0.00 0.00 61.69 63.51 1rf5 s THR 289 Cb -0.02 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.48 1rf5 s THR 289 CO -0.02 0.02 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.11 1rf5 s LEU 290 N 2.01 3.10 -0.10 4.42 1.02 -0.11 -1.45 118.68 127.57 1rf5 s LEU 290 Ca 0.56 -0.76 0.01 0.00 0.02 0.00 0.00 54.13 53.96 1rf5 s LEU 290 Cb -0.25 -1.68 -0.02 0.00 0.02 0.00 0.00 46.19 44.26 1rf5 s LEU 290 CO 0.23 -0.10 -0.10 -0.63 0.02 0.00 0.00 176.35 175.77 1rf5 s ILE 291 N 1.36 3.37 -0.01 -0.59 1.01 -0.30 -0.51 121.20 125.52 1rf5 s ILE 291 Ca 0.02 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1rf5 s ILE 291 Cb -0.16 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.93 1rf5 s ILE 291 CO -0.04 0.56 -0.01 -0.69 0.00 0.00 0.00 174.94 174.75 1rf5 s VAL 292 N -0.24 0.18 0.36 2.92 1.01 -0.54 0.27 120.40 124.36 1rf5 s VAL 292 Ca 0.02 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1rf5 s VAL 292 Cb -0.13 -0.21 -0.06 0.00 0.00 0.00 0.00 36.38 35.99 1rf5 s VAL 292 CO 0.03 0.09 0.06 -1.83 0.00 0.00 0.00 175.10 173.45 1rf5 s GLU 293 N 0.38 1.76 0.15 2.72 -1.05 -1.20 -0.87 118.70 120.60 1rf5 s GLU 293 Ca -0.04 -2.01 -0.31 0.00 -0.15 0.00 0.00 54.97 52.46 1rf5 s GLU 293 Cb -0.06 -0.93 -0.11 0.00 -0.44 0.00 0.00 34.13 32.59 1rf5 s GLU 293 CO -0.01 -0.24 1.79 -1.12 0.95 0.00 0.00 175.26 176.63 1rf5 s SER 294 N -3.55 6.42 0.06 0.83 0.01 -0.81 -3.98 113.70 112.67 1rf5 s SER 294 Ca 0.32 2.78 -0.03 0.00 1.31 0.00 0.00 55.95 60.33 1rf5 s SER 294 Cb 0.07 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 1rf5 s SER 294 CO 0.15 -0.99 0.02 -0.44 0.41 0.00 0.00 173.24 172.40 1rf5 s SER 295 N 2.22 0.38 -0.22 2.44 0.01 -1.11 -4.93 113.70 112.48 1rf5 s SER 295 Ca 0.79 -0.87 -0.17 0.00 1.31 0.00 0.00 55.95 57.01 1rf5 s SER 295 Cb -0.47 0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.95 1rf5 s SER 295 CO 0.35 -0.60 0.46 -1.81 0.41 0.00 0.00 173.24 172.04 1rf5 s ASP 296 N -2.77 6.45 0.13 2.44 1.01 -1.26 -4.81 116.67 117.85 1rf5 s ASP 296 Ca 0.05 0.54 0.03 0.00 0.71 0.00 0.00 52.55 53.87 1rf5 s ASP 296 Cb 0.06 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 1rf5 s ASP 296 CO -0.09 -0.17 0.18 -0.76 0.21 0.00 0.00 175.17 174.54 1rf5 s LEU 297 N 1.72 4.04 0.13 1.23 2.01 -1.26 -4.73 118.68 121.83 1rf5 s LEU 297 Ca 0.20 0.04 0.07 0.00 0.01 0.00 0.00 54.13 54.46 1rf5 s LEU 297 Cb -0.15 -2.65 -0.04 0.00 0.01 0.00 0.00 46.19 43.35 1rf5 s LEU 297 CO 0.09 0.10 -0.17 -0.54 1.01 0.00 0.00 176.35 176.84 1rf5 s LYS 298 N -2.91 1.12 0.25 1.70 -0.14 -0.56 -0.48 119.74 118.72 1rf5 s LYS 298 Ca 0.32 -1.28 -0.30 0.00 -1.36 0.00 0.00 55.97 53.36 1rf5 s LYS 298 Cb -0.11 -1.12 -0.09 0.00 -1.68 0.00 0.00 37.83 34.82 1rf5 s LYS 298 CO 0.25 0.23 1.30 0.20 -0.76 0.00 0.00 175.35 176.57 1rf5 s GLY 299 N -2.43 2.65 0.10 -3.33 0.00 -0.47 -4.48 107.32 99.36 1rf5 s GLY 299 Ca 0.11 1.14 0.02 0.00 0.00 0.00 0.00 44.72 45.99 1rf5 s GLY 299 CO 0.04 1.99 -0.07 -0.51 0.00 0.00 0.00 173.10 174.55 1rf5 s THR 300 N -0.36 0.74 -0.25 0.90 -4.23 -1.25 -4.81 115.64 106.38 1rf5 s THR 300 Ca 0.53 -1.92 -0.15 0.00 -1.18 0.00 0.00 61.69 58.97 1rf5 s THR 300 Cb -0.37 -1.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 1rf5 s THR 300 CO 0.43 -0.84 0.39 -0.70 -0.54 0.00 0.00 174.62 173.36 1rf5 s GLU 301 N -3.75 4.07 -0.31 3.99 2.12 -1.26 -2.93 118.70 120.62 1rf5 s GLU 301 Ca 0.12 0.11 -0.02 0.00 0.36 0.00 0.00 54.97 55.54 1rf5 s GLU 301 Cb 0.04 -3.62 0.06 0.00 0.26 0.00 0.00 34.13 30.87 1rf5 s GLU 301 CO -0.04 -0.21 0.03 0.42 -0.54 0.00 0.00 175.26 174.92 1rf5 s ILE 302 N 1.85 3.07 0.00 -3.70 1.01 -0.58 -5.00 121.20 117.85 1rf5 s ILE 302 Ca 0.17 -1.44 0.00 0.00 0.00 0.00 0.00 60.65 59.38 1rf5 s ILE 302 Cb -0.15 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.51 1rf5 s ILE 302 CO 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 174.94 174.86 1rf5 n GLY 304 N 1.59 -1.69 4.27 0.00 0.00 -1.26 -2.58 105.19 105.52 1rf5 n GLY 304 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1rf5 n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf5 n ALA 305 N -1.37 0.00 0.08 4.61 0.00 -1.26 -4.59 120.51 117.98 1rf5 n ALA 305 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 1rf5 n ALA 305 Cb 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.79 1rf5 n ALA 305 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1rf5 h LEU 306 N 0.00 0.12 -0.16 0.00 3.38 -1.92 -3.39 115.31 113.34 1rf5 h LEU 306 Ca 0.00 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1rf5 h LEU 306 Cb 0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1rf5 h LEU 306 CO 0.00 1.07 -0.04 0.40 0.09 0.00 0.00 178.44 179.96 1rf5 h ILE 307 N 0.03 0.83 0.00 1.22 1.08 -1.77 -2.14 117.51 116.75 1rf5 h ILE 307 Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1rf5 h ILE 307 Cb 1.77 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 36.35 1rf5 h ILE 307 CO 0.15 0.00 0.00 -0.65 -0.69 0.00 0.00 178.15 176.96 1rf5 h PRO 308 N -0.01 0.00 0.00 2.37 0.11 -1.92 -0.43 132.00 132.12 1rf5 h PRO 308 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1rf5 h PRO 308 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1rf5 h PRO 308 CO -0.17 0.00 -0.61 0.54 -0.21 0.00 0.00 178.00 177.56 1rf5 n ARG 309 N -2.42 0.06 -0.24 1.05 1.74 -0.82 -4.30 116.66 111.73 1rf5 n ARG 309 Ca -0.00 0.01 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1rf5 n ARG 309 Cb 0.11 -1.53 0.01 0.00 -1.02 0.00 0.00 32.46 30.04 1rf5 n ARG 309 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1rf5 n LEU 310 N -1.61 0.36 0.16 0.55 -0.00 -0.75 -2.14 117.00 113.57 1rf5 n LEU 310 Ca 0.05 -0.89 0.14 0.00 -0.00 0.00 0.00 56.01 55.31 1rf5 n LEU 310 Cb 0.36 -0.04 0.71 0.00 -0.00 0.00 0.00 43.42 44.44 1rf5 n LEU 310 CO 0.36 0.22 1.13 -0.29 -0.00 0.00 0.00 177.39 178.81 1rf5 h ILE 311 N 4.37 0.78 0.00 1.47 6.09 -1.29 0.62 117.51 129.55 1rf5 h ILE 311 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1rf5 h ILE 311 Cb 1.15 0.88 0.00 0.00 0.47 0.00 0.00 36.82 39.32 1rf5 h ILE 311 CO 0.00 0.00 -0.49 0.44 -3.07 0.00 0.00 178.15 175.03 1rf5 h ASP 312 N 0.00 0.00 -0.47 2.19 3.32 -1.90 -3.34 116.42 116.21 1rf5 h ASP 312 Ca 0.10 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1rf5 h ASP 312 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1rf5 h ASP 312 CO -0.00 0.04 0.00 -0.62 -1.72 0.00 0.00 179.24 176.94 1rf5 n GLU 313 N -2.47 2.45 -0.25 3.56 4.71 0.19 -4.60 120.64 124.24 1rf5 n GLU 313 Ca 0.03 -2.22 -0.03 0.00 -0.01 0.00 0.00 57.16 54.93 1rf5 n GLU 313 Cb 0.48 -1.51 0.08 0.00 -1.01 0.00 0.00 31.44 29.48 1rf5 n GLU 313 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1rf5 h LEU 314 N 4.05 0.72 -0.35 -4.62 3.38 -1.65 -2.52 115.31 114.33 1rf5 h LEU 314 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1rf5 h LEU 314 Cb 0.91 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 1rf5 h LEU 314 CO 0.00 0.50 0.00 -0.65 0.09 0.00 0.00 178.44 178.38 1rf5 h PRO 315 N 0.86 0.09 0.00 1.13 0.11 -1.90 -2.66 132.00 129.63 1rf5 h PRO 315 Ca 0.28 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 1rf5 h PRO 315 Cb 0.02 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1rf5 h PRO 315 CO -0.11 0.06 -0.10 -0.84 -0.21 0.00 0.00 178.00 176.81 1rf5 h ILE 316 N 0.10 0.17 -0.56 4.15 -0.00 -1.89 -3.10 117.51 116.38 1rf5 h ILE 316 Ca 0.17 -1.21 -0.08 0.00 -0.00 0.00 0.00 64.86 63.74 1rf5 h ILE 316 Cb 0.23 2.06 -0.02 0.00 -0.00 0.00 0.00 36.82 39.09 1rf5 h ILE 316 CO -0.28 0.09 0.03 0.40 -0.00 0.00 0.00 178.15 178.39 1rf5 h ILE 317 N 0.00 1.25 -0.24 0.16 2.04 -1.24 0.69 117.51 120.17 1rf5 h ILE 317 Ca -0.00 -1.04 -0.08 0.00 1.00 0.00 0.00 64.86 64.74 1rf5 h ILE 317 Cb 1.05 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1rf5 h ILE 317 CO 0.01 0.37 -0.19 0.00 0.00 0.00 0.00 178.15 178.35 1rf5 h ALA 318 N 1.17 1.24 -0.08 1.87 0.00 -1.41 0.22 119.26 122.26 1rf5 h ALA 318 Ca 0.17 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1rf5 h ALA 318 Cb 0.46 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rf5 h ALA 318 CO 0.02 0.50 -0.72 1.25 0.00 0.00 0.00 179.25 180.30 1rf5 h LEU 319 N 0.38 0.49 -0.79 0.00 7.12 -1.45 -1.51 115.31 119.55 1rf5 h LEU 319 Ca 0.07 -0.32 -0.12 0.00 0.13 0.00 0.00 57.88 57.64 1rf5 h LEU 319 Cb 0.56 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.53 1rf5 h LEU 319 CO 0.04 1.05 -0.44 0.25 -0.13 0.00 0.00 178.44 179.21 1rf5 h LEU 320 N 0.28 0.39 -0.50 2.25 6.46 -0.48 -2.96 115.31 120.75 1rf5 h LEU 320 Ca -0.03 -0.18 -0.06 0.00 -0.12 0.00 0.00 57.88 57.50 1rf5 h LEU 320 Cb 1.29 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.10 1rf5 h LEU 320 CO 0.12 0.78 -0.27 0.00 -0.62 0.00 0.00 178.44 178.46 1rf5 h ALA 321 N 1.23 0.89 0.00 1.25 0.00 -0.49 -3.23 119.26 118.92 1rf5 h ALA 321 Ca 0.02 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1rf5 h ALA 321 Cb 0.90 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1rf5 h ALA 321 CO 0.07 0.34 -0.32 1.15 0.00 0.00 0.00 179.25 180.49 1rf5 h THR 322 N 0.00 1.21 -0.30 0.00 2.02 -1.09 -2.66 112.91 112.10 1rf5 h THR 322 Ca -0.00 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.08 1rf5 h THR 322 Cb 1.02 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1rf5 h THR 322 CO 0.03 0.31 0.00 0.00 0.37 0.00 0.00 175.52 176.24 1rf5 n GLN 323 N -4.14 2.43 -3.16 6.66 1.13 -1.22 -1.42 117.38 117.65 1rf5 n GLN 323 Ca -0.02 -2.18 -0.39 0.00 -1.94 0.00 0.00 57.00 52.47 1rf5 n GLN 323 Cb 0.36 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.16 1rf5 n GLN 323 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rf5 s ALA 324 N -1.58 3.53 -0.14 -1.58 0.00 -1.00 -4.51 121.76 116.48 1rf5 s ALA 324 Ca 0.35 0.16 -0.28 0.00 0.00 0.00 0.00 51.96 52.19 1rf5 s ALA 324 Cb 0.22 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 1rf5 s ALA 324 CO 0.31 0.36 0.95 -0.65 0.00 0.00 0.00 175.76 176.72 1rf5 s GLN 325 N -1.17 4.36 0.00 0.00 -1.52 0.37 -2.77 119.66 118.93 1rf5 s GLN 325 Ca 0.32 1.26 0.00 0.00 -1.95 0.00 0.00 55.36 54.99 1rf5 s GLN 325 Cb -0.21 -3.56 0.00 0.00 -0.22 0.00 0.00 33.01 29.02 1rf5 s GLN 325 CO 0.22 -0.35 0.00 0.41 -0.25 0.00 0.00 175.29 175.32 1rf5 n GLY 326 N 3.23 -0.61 3.27 3.09 0.00 -1.26 -1.37 105.19 111.54 1rf5 n GLY 326 Ca 0.07 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 1rf5 n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf5 s VAL 327 N 0.00 2.64 -0.19 1.61 1.01 -1.26 0.16 120.40 124.37 1rf5 s VAL 327 Ca 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1rf5 s VAL 327 Cb 0.00 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1rf5 s VAL 327 CO 0.00 0.52 -0.09 0.42 0.00 0.00 0.00 175.10 175.95 1rf5 s THR 328 N 0.69 3.07 -0.16 3.92 -4.23 -0.28 -3.93 115.64 114.72 1rf5 s THR 328 Ca -0.08 -0.61 -0.02 0.00 -1.18 0.00 0.00 61.69 59.80 1rf5 s THR 328 Cb -0.16 -2.35 -0.01 0.00 1.34 0.00 0.00 72.50 71.32 1rf5 s THR 328 CO 0.02 0.47 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.80 1rf5 s VAL 329 N 1.10 3.32 -0.23 2.29 1.01 -1.15 -1.80 120.40 124.95 1rf5 s VAL 329 Ca 0.01 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1rf5 s VAL 329 Cb -0.15 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1rf5 s VAL 329 CO -0.02 0.49 0.04 -0.63 0.00 0.00 0.00 175.10 174.98 1rf5 s ILE 330 N 0.72 4.22 0.31 2.22 1.01 -0.56 -1.53 121.20 127.57 1rf5 s ILE 330 Ca -0.04 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.43 1rf5 s ILE 330 Cb -0.15 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 1rf5 s ILE 330 CO 0.02 0.38 0.13 -1.59 0.00 0.00 0.00 174.94 173.88 1rf5 s LYS 331 N 1.28 1.59 -1.29 2.79 -2.85 -0.72 -2.37 119.74 118.18 1rf5 s LYS 331 Ca 0.04 -1.91 -0.03 0.00 -1.00 0.00 0.00 55.97 53.07 1rf5 s LYS 331 Cb -0.15 -0.27 0.00 0.00 -2.06 0.00 0.00 37.83 35.36 1rf5 s LYS 331 CO 0.03 -0.39 0.46 -0.25 0.10 0.00 0.00 175.35 175.30 1rf5 n ASP 332 N -0.83 -5.29 -3.68 0.03 8.00 -1.08 -4.39 116.55 109.30 1rf5 n ASP 332 Ca -0.00 -0.22 -0.30 0.00 0.71 0.00 0.00 54.79 54.98 1rf5 n ASP 332 Cb 0.65 -4.16 -0.15 0.00 -0.02 0.00 0.00 41.12 37.45 1rf5 n ASP 332 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rf5 s ALA 333 N -3.05 1.44 -0.21 2.24 0.00 0.07 -4.85 121.76 117.40 1rf5 s ALA 333 Ca 0.23 -1.72 0.17 0.00 0.00 0.00 0.00 51.96 50.65 1rf5 s ALA 333 Cb -0.10 -1.62 0.47 0.00 0.00 0.00 0.00 23.12 21.87 1rf5 s ALA 333 CO 0.28 -1.74 1.16 -0.85 0.00 0.00 0.00 175.76 174.61 1rf5 n GLU 334 N 4.69 1.93 -0.16 0.00 0.28 -1.26 -3.51 120.64 122.61 1rf5 n GLU 334 Ca -0.00 -3.39 0.05 0.00 -0.16 0.00 0.00 57.16 53.66 1rf5 n GLU 334 Cb 0.41 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 31.92 1rf5 n GLU 334 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1rf5 n GLU 335 N -0.50 2.88 0.00 3.44 4.71 -1.26 -4.05 120.64 125.87 1rf5 n GLU 335 Ca 0.19 -2.01 0.02 0.00 -0.01 0.00 0.00 57.16 55.34 1rf5 n GLU 335 Cb 0.90 -1.25 0.09 0.00 -1.01 0.00 0.00 31.44 30.17 1rf5 n GLU 335 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1rf5 n LEU 336 N 0.44 0.00 -2.35 -4.62 7.99 -1.04 -2.80 117.00 114.62 1rf5 n LEU 336 Ca 0.11 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 56.08 1rf5 n LEU 336 Cb 0.42 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.72 1rf5 n LEU 336 CO 0.07 0.00 0.53 1.17 -1.51 0.00 0.00 177.39 177.65 1rf5 n LYS 337 N -1.00 0.18 0.00 3.23 3.00 0.13 -4.48 118.16 119.22 1rf5 n LYS 337 Ca 0.02 -0.53 0.00 0.00 -0.00 0.00 0.00 58.31 57.80 1rf5 n LYS 337 Cb 0.01 0.02 0.00 0.00 0.00 0.00 0.00 35.03 35.06 1rf5 n LYS 337 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1rf5 n VAL 338 N -0.43 0.00 -2.17 3.15 0.31 -1.12 -2.88 118.33 115.19 1rf5 n VAL 338 Ca -0.20 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.10 1rf5 n VAL 338 Cb 0.62 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.51 1rf5 n VAL 338 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1rf5 n LYS 339 N 0.00 0.00 -4.04 5.55 5.02 -1.26 -4.43 118.16 119.00 1rf5 n LYS 339 Ca 0.00 -1.32 -0.11 0.00 -2.02 0.00 0.00 58.31 54.86 1rf5 n LYS 339 Cb 0.00 0.30 -0.11 0.00 -0.02 0.00 0.00 35.03 35.20 1rf5 n LYS 339 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1rf5 s GLU 340 N 0.00 0.47 0.02 1.97 2.12 -1.14 -4.97 118.70 117.17 1rf5 s GLU 340 Ca 0.12 -0.77 -0.10 0.00 0.36 0.00 0.00 54.97 54.58 1rf5 s GLU 340 Cb 0.14 -0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.44 1rf5 s GLU 340 CO -0.06 -0.00 0.20 0.99 -0.54 0.00 0.00 175.26 175.84 1rf5 s THR 341 N -1.74 0.09 -0.01 -1.70 2.01 -1.26 0.18 115.64 113.22 1rf5 s THR 341 Ca -0.10 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1rf5 s THR 341 Cb -0.08 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 1rf5 s THR 341 CO -0.01 -0.41 0.04 -0.90 -0.69 0.00 0.00 174.62 172.64 1rf5 n ASP 342 N 1.05 4.52 -0.21 3.53 5.68 -1.26 -4.58 116.55 125.28 1rf5 n ASP 342 Ca -0.21 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.00 1rf5 n ASP 342 Cb 0.57 0.98 0.02 0.00 -1.14 0.00 0.00 41.12 41.56 1rf5 n ASP 342 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1rf5 h ARG 343 N 0.00 0.91 -0.58 0.11 2.43 -1.91 -2.16 114.38 113.17 1rf5 h ARG 343 Ca -0.01 -0.21 -0.10 0.00 -0.81 0.00 0.00 59.98 58.85 1rf5 h ARG 343 Cb 0.31 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1rf5 h ARG 343 CO 0.00 0.83 -0.04 0.82 -1.51 0.00 0.00 179.97 180.07 1rf5 h ILE 344 N 0.82 1.27 -0.47 1.20 2.04 -1.97 -2.15 117.51 118.25 1rf5 h ILE 344 Ca 0.18 -1.19 -0.09 0.00 1.00 0.00 0.00 64.86 64.77 1rf5 h ILE 344 Cb 0.31 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1rf5 h ILE 344 CO -0.00 0.43 -0.07 -0.61 0.00 0.00 0.00 178.15 177.89 1rf5 h GLN 345 N 0.94 0.83 -0.38 2.37 -0.00 -1.78 0.84 115.11 117.94 1rf5 h GLN 345 Ca 0.16 -0.26 -0.12 0.00 -0.00 0.00 0.00 58.65 58.43 1rf5 h GLN 345 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.99 1rf5 h GLN 345 CO 0.04 0.87 -0.24 0.28 0.00 0.00 0.00 178.83 179.78 1rf5 h VAL 346 N 0.75 1.28 -0.75 2.39 2.07 -1.33 -0.30 116.25 120.37 1rf5 h VAL 346 Ca 0.13 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1rf5 h VAL 346 Cb 0.56 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1rf5 h VAL 346 CO 0.03 0.46 0.48 0.58 0.02 0.00 0.00 177.57 179.15 1rf5 h VAL 347 N 0.64 1.20 0.56 2.57 2.07 -1.17 -2.07 116.25 120.05 1rf5 h VAL 347 Ca 0.08 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1rf5 h VAL 347 Cb 0.81 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1rf5 h VAL 347 CO 0.07 0.20 -0.27 0.00 0.02 0.00 0.00 177.57 177.59 1rf5 h ALA 348 N 1.26 -0.75 -0.42 1.67 0.00 -0.66 -2.37 119.26 117.99 1rf5 h ALA 348 Ca 0.27 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1rf5 h ALA 348 Cb -0.09 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1rf5 h ALA 348 CO -0.06 -0.86 0.28 -0.44 0.00 0.00 0.00 179.25 178.17 1rf5 h ASP 349 N -0.86 0.30 0.57 0.00 3.45 -1.00 -1.58 116.42 117.30 1rf5 h ASP 349 Ca -0.08 -0.00 -0.27 0.00 0.43 0.00 0.00 57.03 57.11 1rf5 h ASP 349 Cb 0.62 -0.07 0.01 0.00 -0.56 0.00 0.00 39.33 39.33 1rf5 h ASP 349 CO 0.13 0.20 -1.20 0.00 -1.57 0.00 0.00 179.24 176.79 1rf5 h ALA 350 N 1.77 0.13 0.14 3.45 0.00 -1.37 -3.31 119.26 120.08 1rf5 h ALA 350 Ca 0.18 -0.85 -0.36 0.00 0.00 0.00 0.00 54.91 53.88 1rf5 h ALA 350 Cb 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1rf5 h ALA 350 CO -0.04 0.93 -1.88 -0.07 0.00 0.00 0.00 179.25 178.19 1rf5 h LEU 351 N 0.10 0.48 -0.15 0.00 3.38 -0.98 -3.32 115.31 114.82 1rf5 h LEU 351 Ca -0.13 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 56.90 1rf5 h LEU 351 Cb 1.92 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.51 1rf5 h LEU 351 CO 0.20 1.82 0.00 -0.46 0.09 0.00 0.00 178.44 180.09 1rf5 n ASN 352 N -3.56 0.32 0.21 -0.43 0.23 -0.64 -0.18 115.26 111.22 1rf5 n ASN 352 Ca -0.29 0.55 0.11 0.00 -0.53 0.00 0.00 54.58 54.42 1rf5 n ASN 352 Cb 1.04 -0.63 0.21 0.00 -2.08 0.00 0.00 39.78 38.33 1rf5 n ASN 352 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1rf5 h SER 353 N 0.00 0.00 0.04 0.53 4.64 -1.69 -3.35 113.55 113.72 1rf5 h SER 353 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 1rf5 h SER 353 Cb 0.46 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.50 1rf5 h SER 353 CO 0.00 0.10 -2.20 0.23 -0.87 0.00 0.00 176.83 174.10 1rf5 n MET 354 N -3.14 0.67 -3.63 4.77 2.81 -0.61 -4.76 117.12 113.23 1rf5 n MET 354 Ca 0.03 0.25 -0.15 0.00 -1.81 0.00 0.00 57.70 56.02 1rf5 n MET 354 Cb 0.54 -1.60 -0.07 0.00 -0.71 0.00 0.00 33.22 31.37 1rf5 n MET 354 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1rf5 s GLY 355 N -5.88 -0.46 0.00 3.03 0.00 0.74 -0.68 107.32 104.08 1rf5 s GLY 355 Ca -0.31 1.38 0.00 0.00 0.00 0.00 0.00 44.72 45.79 1rf5 s GLY 355 CO 0.64 1.10 0.00 0.00 0.00 0.00 0.00 173.10 174.84 1rf5 n ALA 356 N 1.89 0.00 -2.67 3.20 0.00 -1.26 -3.92 120.51 117.75 1rf5 n ALA 356 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.91 1rf5 n ALA 356 Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 1rf5 n ALA 356 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rf5 s ASP 357 N 0.00 6.15 -0.10 0.00 -1.08 -1.26 -4.59 116.67 115.78 1rf5 s ASP 357 Ca 0.00 0.16 -0.04 0.00 -0.52 0.00 0.00 52.55 52.14 1rf5 s ASP 357 Cb 0.00 -2.12 0.05 0.00 -1.46 0.00 0.00 42.92 39.40 1rf5 s ASP 357 CO 0.00 0.06 0.21 -0.63 0.52 0.00 0.00 175.17 175.33 1rf5 s ILE 358 N 1.03 -0.25 -0.18 4.11 1.01 -1.26 -3.20 121.20 122.47 1rf5 s ILE 358 Ca 0.09 0.27 0.01 0.00 0.00 0.00 0.00 60.65 61.01 1rf5 s ILE 358 Cb -0.13 -0.36 0.02 0.00 0.01 0.00 0.00 42.46 42.00 1rf5 s ILE 358 CO 0.04 0.11 -0.19 -0.89 0.00 0.00 0.00 174.94 174.02 1rf5 s THR 359 N 2.00 1.99 0.48 2.92 2.01 0.14 -4.95 115.64 120.22 1rf5 s THR 359 Ca -0.02 -0.92 -0.21 0.00 0.31 0.00 0.00 61.69 60.85 1rf5 s THR 359 Cb -0.12 -1.81 -0.07 0.00 0.01 0.00 0.00 72.50 70.51 1rf5 s THR 359 CO -0.07 0.51 1.11 -2.84 -0.69 0.00 0.00 174.62 172.63 1rf5 s PRO 360 N 1.31 3.71 0.28 4.92 0.02 -1.26 -0.21 135.00 143.76 1rf5 s PRO 360 Ca 0.04 1.60 0.04 0.00 0.02 0.00 0.00 61.00 62.71 1rf5 s PRO 360 Cb -0.13 -2.24 -0.06 0.00 0.02 0.00 0.00 34.50 32.09 1rf5 s PRO 360 CO -0.12 -0.56 0.02 0.99 -0.33 0.00 0.00 177.00 177.00 1rf5 s THR 361 N -1.71 1.17 0.35 0.99 2.01 0.78 -4.87 115.64 114.35 1rf5 s THR 361 Ca 0.66 -2.03 0.24 0.00 0.31 0.00 0.00 61.69 60.87 1rf5 s THR 361 Cb -0.24 -2.55 0.25 0.00 0.01 0.00 0.00 72.50 69.97 1rf5 s THR 361 CO 0.28 -0.18 1.98 0.00 -0.69 0.00 0.00 174.62 176.02 1rf5 h ALA 362 N 2.30 1.25 0.00 7.40 0.00 -1.97 -3.16 119.26 125.07 1rf5 h ALA 362 Ca -0.40 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1rf5 h ALA 362 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1rf5 h ALA 362 CO 0.67 0.22 -0.12 -0.40 0.00 0.00 0.00 179.25 179.62 1rf5 n ASP 363 N -3.66 1.57 0.00 0.00 3.85 -1.26 -4.78 116.55 112.27 1rf5 n ASP 363 Ca -0.01 -2.50 0.00 0.00 -0.71 0.00 0.00 54.79 51.57 1rf5 n ASP 363 Cb 0.30 -0.27 0.00 0.00 -1.35 0.00 0.00 41.12 39.80 1rf5 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1rf5 n GLY 364 N -0.84 -0.57 3.40 6.12 0.00 -1.19 -0.75 105.19 111.35 1rf5 n GLY 364 Ca 0.08 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 1rf5 n GLY 364 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1rf5 s MET 365 N -1.36 1.14 -0.16 1.61 0.23 -1.00 -0.16 119.30 119.60 1rf5 s MET 365 Ca 0.00 -0.36 0.02 0.00 -1.03 0.00 0.00 55.69 54.32 1rf5 s MET 365 Cb 0.00 0.52 0.01 0.00 -1.53 0.00 0.00 34.83 33.83 1rf5 s MET 365 CO 0.00 -0.45 -0.21 0.42 -2.03 0.00 0.00 175.02 172.75 1rf5 s ILE 366 N -3.07 2.06 -0.08 3.16 1.01 0.70 -1.50 121.20 123.49 1rf5 s ILE 366 Ca -0.02 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1rf5 s ILE 366 Cb -0.00 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 1rf5 s ILE 366 CO -0.07 0.55 -0.13 -0.63 0.00 0.00 0.00 174.94 174.66 1rf5 s ILE 367 N 1.00 3.15 -0.07 2.92 1.09 -0.74 -0.69 121.20 127.87 1rf5 s ILE 367 Ca -0.02 -0.67 -0.00 0.00 -1.10 0.00 0.00 60.65 58.86 1rf5 s ILE 367 Cb -0.15 -2.27 0.02 0.00 -1.06 0.00 0.00 42.46 39.01 1rf5 s ILE 367 CO -0.06 0.57 -0.04 -0.75 -0.10 0.00 0.00 174.94 174.56 1rf5 s LYS 368 N -0.39 0.91 0.23 2.79 2.20 -1.19 -1.12 119.74 123.16 1rf5 s LYS 368 Ca 0.05 -0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 1rf5 s LYS 368 Cb -0.12 -1.04 0.00 0.00 -1.51 0.00 0.00 37.83 35.15 1rf5 s LYS 368 CO 0.02 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 1rf5 n GLY 369 N 4.59 -2.85 3.69 5.54 0.00 0.12 -4.32 105.19 111.98 1rf5 n GLY 369 Ca -0.16 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1rf5 n GLY 369 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rf5 s LYS 370 N -3.39 4.39 -0.04 1.61 2.20 -1.12 -4.47 119.74 118.92 1rf5 s LYS 370 Ca 0.00 1.59 0.02 0.00 -0.36 0.00 0.00 55.97 57.22 1rf5 s LYS 370 Cb 0.00 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 1rf5 s LYS 370 CO 0.00 -0.37 -0.07 -1.12 -0.36 0.00 0.00 175.35 173.43 1rf5 s SER 371 N 1.30 4.62 -0.54 1.43 0.01 -0.51 -5.00 113.70 115.02 1rf5 s SER 371 Ca 0.54 -0.07 -0.18 0.00 1.31 0.00 0.00 55.95 57.55 1rf5 s SER 371 Cb -0.23 -1.13 0.09 0.00 0.21 0.00 0.00 66.02 64.96 1rf5 s SER 371 CO 0.22 0.33 0.60 0.00 0.41 0.00 0.00 173.24 174.81 1rf5 s ALA 372 N -0.88 3.46 0.23 1.44 0.00 -1.26 -4.84 121.76 119.91 1rf5 s ALA 372 Ca 0.14 -2.08 -0.30 0.00 0.00 0.00 0.00 51.96 49.72 1rf5 s ALA 372 Cb -0.11 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 1rf5 s ALA 372 CO 0.04 -2.09 1.05 -0.51 0.00 0.00 0.00 175.76 174.24 1rf5 s LEU 373 N 2.36 4.56 0.47 0.00 1.43 -1.26 -4.72 118.68 121.52 1rf5 s LEU 373 Ca 0.10 2.11 0.02 0.00 -1.03 0.00 0.00 54.13 55.34 1rf5 s LEU 373 Cb -0.23 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 1rf5 s LEU 373 CO 0.08 -0.08 0.04 -1.38 0.23 0.00 0.00 176.35 175.24 1rf5 s HIS 374 N -0.87 1.91 0.30 0.29 -3.43 0.14 -4.16 115.29 109.48 1rf5 s HIS 374 Ca 0.45 -1.02 -0.29 0.00 -0.80 0.00 0.00 55.06 53.40 1rf5 s HIS 374 Cb -0.29 -1.49 -0.10 0.00 -1.43 0.00 0.00 32.58 29.27 1rf5 s HIS 374 CO 0.36 0.10 1.24 0.20 -2.00 0.00 0.00 174.74 174.65 1rf5 s GLY 375 N -3.78 2.95 0.23 -1.38 0.00 -1.26 -4.61 107.32 99.47 1rf5 s GLY 375 Ca 0.14 1.12 -0.16 0.00 0.00 0.00 0.00 44.72 45.83 1rf5 s GLY 375 CO 0.08 1.80 0.53 0.00 0.00 0.00 0.00 173.10 175.51 1rf5 s ALA 376 N -0.97 -0.67 -0.26 3.20 0.00 -1.18 -4.70 121.76 117.18 1rf5 s ALA 376 Ca 0.49 -0.54 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 1rf5 s ALA 376 Cb -0.37 0.94 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1rf5 s ALA 376 CO 0.47 -0.86 0.15 0.50 0.00 0.00 0.00 175.76 176.02 1rf5 s ARG 377 N -3.95 3.89 -0.07 0.00 3.52 -1.26 -2.30 118.95 118.79 1rf5 s ARG 377 Ca 0.15 -0.35 0.03 0.00 -0.13 0.00 0.00 55.73 55.43 1rf5 s ARG 377 Cb -0.02 -3.54 0.01 0.00 -1.56 0.00 0.00 34.95 29.84 1rf5 s ARG 377 CO 0.04 -0.13 -0.16 0.08 -0.81 0.00 0.00 175.30 174.32 1rf5 s VAL 378 N 1.57 1.41 -0.11 7.11 1.01 -0.71 -5.01 120.40 125.67 1rf5 s VAL 378 Ca 0.07 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1rf5 s VAL 378 Cb -0.15 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1rf5 s VAL 378 CO 0.08 0.42 -0.01 0.21 0.00 0.00 0.00 175.10 175.79 1rf5 s ASN 379 N 0.51 5.08 0.13 3.32 3.84 -1.26 -2.13 114.94 124.42 1rf5 s ASN 379 Ca -0.15 0.04 0.00 0.00 0.21 0.00 0.00 52.86 52.97 1rf5 s ASN 379 Cb -0.16 -1.56 -0.12 0.00 -0.55 0.00 0.00 41.25 38.86 1rf5 s ASN 379 CO 0.05 0.30 1.29 0.71 -2.79 0.00 0.00 177.10 176.66 1rf5 h THR 380 N 4.50 1.51 -5.73 -5.21 1.35 -1.80 -3.48 112.91 104.05 1rf5 h THR 380 Ca -0.44 -2.83 -0.39 0.00 -0.55 0.00 0.00 66.41 62.21 1rf5 h THR 380 Cb 1.19 2.64 0.14 0.00 -1.73 0.00 0.00 68.15 70.38 1rf5 h THR 380 CO 0.58 0.82 -0.67 0.49 -0.25 0.00 0.00 175.52 176.50 1rf5 n PHE 381 N -3.59 -2.81 -0.85 4.73 3.72 -1.26 -2.97 117.46 114.42 1rf5 n PHE 381 Ca -0.05 0.99 0.00 0.00 -0.05 0.00 0.00 57.45 58.35 1rf5 n PHE 381 Cb 0.89 -4.96 0.00 0.00 -0.94 0.00 0.00 39.48 34.47 1rf5 n PHE 381 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rf5 n GLY 382 N -1.96 0.55 3.58 1.37 0.00 -1.26 -5.04 105.19 102.43 1rf5 n GLY 382 Ca 0.00 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1rf5 n GLY 382 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rf5 s ASP 383 N -2.19 5.25 0.17 1.61 3.68 -1.16 -5.00 116.67 119.02 1rf5 s ASP 383 Ca 0.00 -0.01 0.09 0.00 2.13 0.00 0.00 52.55 54.77 1rf5 s ASP 383 Cb 0.00 -1.86 -0.12 0.00 -1.45 0.00 0.00 42.92 39.49 1rf5 s ASP 383 CO 0.00 0.18 1.34 1.12 0.13 0.00 0.00 175.17 177.94 1rf5 h HIS 384 N 6.62 0.00 -0.03 -5.34 2.07 -1.91 -3.28 115.15 113.28 1rf5 h HIS 384 Ca -0.35 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 56.99 1rf5 h HIS 384 Cb 1.18 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.15 1rf5 h HIS 384 CO 0.55 0.85 -0.77 0.00 -3.07 0.00 0.00 177.93 175.49 1rf5 h ARG 385 N 0.00 0.22 -0.29 5.12 3.08 -1.94 -2.94 114.38 117.63 1rf5 h ARG 385 Ca -0.01 -0.20 -0.16 0.00 0.07 0.00 0.00 59.98 59.69 1rf5 h ARG 385 Cb 1.64 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.74 1rf5 h ARG 385 CO 0.11 0.88 -0.44 0.82 -1.07 0.00 0.00 179.97 180.27 1rf5 h ILE 386 N 0.14 1.29 -0.60 2.04 1.08 -1.91 -2.29 117.51 117.25 1rf5 h ILE 386 Ca -0.03 -1.63 -0.07 0.00 -0.39 0.00 0.00 64.86 62.74 1rf5 h ILE 386 Cb 1.35 1.63 -0.02 0.00 -3.07 0.00 0.00 36.82 36.70 1rf5 h ILE 386 CO 0.12 0.53 0.08 1.23 -0.69 0.00 0.00 178.15 179.42 1rf5 h GLY 387 N 0.56 1.06 1.99 5.37 0.00 -1.62 -1.14 103.07 109.30 1rf5 h GLY 387 Ca 0.03 -0.69 -0.16 0.00 0.00 0.00 0.00 47.33 46.50 1rf5 h GLY 387 CO 0.10 0.64 -0.77 -0.33 0.00 0.00 0.00 176.54 176.18 1rf5 h MET 388 N 0.93 0.01 -0.27 4.80 2.86 -1.56 -2.45 114.93 119.25 1rf5 h MET 388 Ca 0.19 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.67 1rf5 h MET 388 Cb 0.42 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 1rf5 h MET 388 CO 0.01 0.78 -0.40 1.98 1.06 0.00 0.00 176.91 180.34 1rf5 h MET 389 N 0.01 0.75 -0.03 1.72 -1.53 -1.19 -3.00 114.93 111.66 1rf5 h MET 389 Ca -0.01 -0.44 -0.11 0.00 -3.44 0.00 0.00 59.70 55.69 1rf5 h MET 389 Cb 1.36 0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 32.44 1rf5 h MET 389 CO 0.10 1.07 -0.52 1.15 0.14 0.00 0.00 176.91 178.85 1rf5 h THR 390 N 0.49 1.37 -0.50 -0.77 2.02 -1.23 -2.43 112.91 111.86 1rf5 h THR 390 Ca 0.03 -1.78 -0.12 0.00 0.77 0.00 0.00 66.41 65.30 1rf5 h THR 390 Cb 0.99 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 69.32 1rf5 h THR 390 CO 0.09 0.51 -0.17 0.00 0.37 0.00 0.00 175.52 176.33 1rf5 h ALA 391 N 1.42 0.75 0.00 6.16 0.00 -1.42 -1.88 119.26 124.29 1rf5 h ALA 391 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1rf5 h ALA 391 Cb 0.94 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1rf5 h ALA 391 CO 0.07 0.67 -0.37 -0.84 0.00 0.00 0.00 179.25 178.78 1rf5 h ILE 392 N 0.86 0.00 0.00 0.00 3.07 -1.52 -3.19 117.51 116.73 1rf5 h ILE 392 Ca 0.12 -0.63 -0.07 0.00 1.55 0.00 0.00 64.86 65.83 1rf5 h ILE 392 Cb 0.74 1.40 -0.01 0.00 -0.27 0.00 0.00 36.82 38.68 1rf5 h ILE 392 CO 0.06 0.00 -0.38 0.00 -1.05 0.00 0.00 178.15 176.78 1rf5 h ALA 393 N 2.37 0.78 0.00 0.16 0.00 -1.29 -3.31 119.26 117.97 1rf5 h ALA 393 Ca 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1rf5 h ALA 393 Cb 0.81 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1rf5 h ALA 393 CO 0.00 0.41 -0.40 0.00 0.00 0.00 0.00 179.25 179.25 1rf5 h ALA 394 N 1.68 1.02 0.00 0.00 0.00 -1.33 -3.13 119.26 117.50 1rf5 h ALA 394 Ca -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1rf5 h ALA 394 Cb 1.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rf5 h ALA 394 CO 0.04 0.51 -0.04 -0.07 0.00 0.00 0.00 179.25 179.69 1rf5 h LEU 395 N 0.00 0.00 0.00 0.00 3.38 -1.64 -2.38 115.31 114.67 1rf5 h LEU 395 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1rf5 h LEU 395 Cb 0.90 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1rf5 h LEU 395 CO 0.05 0.04 -0.94 -0.07 0.09 0.00 0.00 178.44 177.62 1rf5 h LEU 396 N 0.00 0.00 -9.37 1.67 4.07 -1.76 -2.01 115.31 107.90 1rf5 h LEU 396 Ca -0.00 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.42 1rf5 h LEU 396 Cb 0.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1rf5 h LEU 396 CO 0.01 0.42 0.93 -0.69 -1.08 0.00 0.00 178.44 178.02 1rf5 s VAL 397 N -3.03 3.49 -0.10 1.22 1.01 -0.90 -4.76 120.40 117.33 1rf5 s VAL 397 Ca 0.01 0.85 0.11 0.00 0.00 0.00 0.00 61.98 62.94 1rf5 s VAL 397 Cb 0.08 -3.54 -0.16 0.00 0.00 0.00 0.00 36.38 32.76 1rf5 s VAL 397 CO 0.78 -0.02 0.09 0.00 0.00 0.00 0.00 175.10 175.95 1rf5 n ALA 398 N 5.77 1.87 -0.29 5.51 0.00 -1.26 -0.33 120.51 131.77 1rf5 n ALA 398 Ca 0.15 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1rf5 n ALA 398 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1rf5 n ALA 398 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rf5 n ASP 399 N -2.34 0.00 -2.32 0.00 2.03 -1.26 -4.87 116.55 107.78 1rf5 n ASP 399 Ca -0.16 0.08 -0.02 0.00 0.52 0.00 0.00 54.79 55.21 1rf5 n ASP 399 Cb 0.77 -0.35 0.02 0.00 -0.72 0.00 0.00 41.12 40.83 1rf5 n ASP 399 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rf5 n GLY 400 N 1.87 -1.72 3.10 0.27 0.00 -1.26 -4.92 105.19 102.53 1rf5 n GLY 400 Ca 0.00 -1.58 -0.28 0.00 0.00 0.00 0.00 46.02 44.17 1rf5 n GLY 400 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rf5 s GLU 401 N -3.19 2.24 -0.31 1.61 0.41 -1.26 -4.45 118.70 113.75 1rf5 s GLU 401 Ca 0.05 -0.60 -0.17 0.00 -0.41 0.00 0.00 54.97 53.84 1rf5 s GLU 401 Cb -0.00 -1.77 -0.02 0.00 -1.78 0.00 0.00 34.13 30.56 1rf5 s GLU 401 CO 0.04 0.09 0.47 0.08 -0.49 0.00 0.00 175.26 175.45 1rf5 s VAL 402 N 0.52 5.07 -0.18 2.63 1.01 -1.26 -3.11 120.40 125.08 1rf5 s VAL 402 Ca -0.16 0.47 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 1rf5 s VAL 402 Cb -0.17 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1rf5 s VAL 402 CO 0.06 -0.07 -0.01 -0.70 0.00 0.00 0.00 175.10 174.37 1rf5 s GLU 403 N 2.28 3.66 -0.23 2.72 2.12 -0.97 -1.39 118.70 126.88 1rf5 s GLU 403 Ca 0.18 -0.51 -0.03 0.00 0.36 0.00 0.00 54.97 54.96 1rf5 s GLU 403 Cb -0.16 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.23 1rf5 s GLU 403 CO 0.12 0.14 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.76 1rf5 s LEU 404 N 0.66 3.05 0.11 2.70 2.96 -0.10 -1.74 118.68 126.32 1rf5 s LEU 404 Ca -0.01 -0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 53.29 1rf5 s LEU 404 Cb -0.14 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 1rf5 s LEU 404 CO 0.02 -0.07 0.34 -1.81 -1.32 0.00 0.00 176.35 173.51 1rf5 s ASP 405 N 1.43 6.48 -1.20 3.68 1.11 -0.91 -0.41 116.67 126.86 1rf5 s ASP 405 Ca 0.04 0.55 -0.01 0.00 0.18 0.00 0.00 52.55 53.31 1rf5 s ASP 405 Cb -0.15 -2.08 -0.01 0.00 1.07 0.00 0.00 42.92 41.76 1rf5 s ASP 405 CO -0.03 0.11 0.95 0.54 1.18 0.00 0.00 175.17 177.91 1rf5 n ARG 406 N 0.33 -5.94 0.00 8.23 1.74 -1.26 -3.07 116.66 116.68 1rf5 n ARG 406 Ca -0.04 0.82 0.15 0.00 -0.77 0.00 0.00 57.85 58.00 1rf5 n ARG 406 Cb 0.52 -5.76 0.75 0.00 -1.02 0.00 0.00 32.46 26.95 1rf5 n ARG 406 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rf5 n ALA 407 N -4.07 2.66 0.45 7.54 0.00 -1.26 -3.62 120.51 122.20 1rf5 n ALA 407 Ca -0.27 -0.29 0.13 0.00 0.00 0.00 0.00 53.44 53.01 1rf5 n ALA 407 Cb 0.67 -1.37 0.42 0.00 0.00 0.00 0.00 19.45 19.17 1rf5 n ALA 407 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1rf5 h GLU 408 N 0.89 0.00 0.00 0.00 3.07 -1.96 -3.21 114.58 113.37 1rf5 h GLU 408 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1rf5 h GLU 408 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1rf5 h GLU 408 CO 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 1rf5 h ALA 409 N 2.29 1.00 0.00 3.43 0.00 -1.91 -3.04 119.26 121.03 1rf5 h ALA 409 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1rf5 h ALA 409 Cb 0.66 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1rf5 h ALA 409 CO 0.00 0.00 -0.15 0.82 0.00 0.00 0.00 179.25 179.92 1rf5 h ILE 410 N 0.00 0.98 0.00 0.00 2.04 -1.84 -2.82 117.51 115.87 1rf5 h ILE 410 Ca 0.00 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1rf5 h ILE 410 Cb 0.53 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1rf5 h ILE 410 CO 0.00 0.15 0.00 0.59 0.00 0.00 0.00 178.15 178.89 1rf5 n ASN 411 N -4.17 0.00 -0.02 1.72 3.02 -1.15 -2.45 115.26 112.21 1rf5 n ASN 411 Ca -0.02 -1.32 -0.17 0.00 -0.03 0.00 0.00 54.58 53.03 1rf5 n ASN 411 Cb 0.23 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.32 1rf5 n ASN 411 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1rf5 h THR 412 N 0.00 1.29 0.00 3.41 2.02 -1.74 -3.41 112.91 114.48 1rf5 h THR 412 Ca 0.00 -1.96 0.00 0.00 0.77 0.00 0.00 66.41 65.22 1rf5 h THR 412 Cb 0.00 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1rf5 h THR 412 CO 0.00 0.62 -0.77 -1.54 0.37 0.00 0.00 175.52 174.20 1rf5 n SER 413 N -3.97 3.86 -3.79 4.18 3.41 -1.22 -4.96 113.62 111.13 1rf5 n SER 413 Ca -0.08 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.24 1rf5 n SER 413 Cb 0.73 0.49 -0.13 0.00 -0.26 0.00 0.00 64.21 65.04 1rf5 n SER 413 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1rf5 s TYR 414 N -1.71 2.35 0.21 7.33 6.04 -1.03 -4.94 117.35 125.60 1rf5 s TYR 414 Ca 0.00 -2.62 0.05 0.00 0.04 0.00 0.00 57.07 54.55 1rf5 s TYR 414 Cb 0.00 -2.17 0.16 0.00 -1.04 0.00 0.00 41.96 38.92 1rf5 s TYR 414 CO 0.00 -0.78 1.50 -1.35 -1.54 0.00 0.00 175.55 173.38 1rf5 h PRO 415 N 6.76 0.16 -0.84 4.97 0.11 -1.78 -3.29 132.00 138.08 1rf5 h PRO 415 Ca -0.04 -0.13 -0.48 0.00 0.11 0.00 0.00 66.00 65.46 1rf5 h PRO 415 Cb 0.92 0.03 -0.27 0.00 0.11 0.00 0.00 31.00 31.80 1rf5 h PRO 415 CO 0.54 0.81 0.45 -1.13 -0.21 0.00 0.00 178.00 178.46 1rf5 n SER 416 N -3.76 4.40 -0.06 -2.05 3.41 -1.26 -4.66 113.62 109.65 1rf5 n SER 416 Ca -0.02 -3.70 -0.12 0.00 -0.26 0.00 0.00 58.87 54.76 1rf5 n SER 416 Cb 0.70 -0.80 -0.06 0.00 -0.26 0.00 0.00 64.21 63.79 1rf5 n SER 416 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1rf5 h PHE 417 N 1.29 0.37 0.00 7.33 3.57 -1.95 -1.79 116.94 125.77 1rf5 h PHE 417 Ca 0.52 -0.09 -0.09 0.00 3.53 0.00 0.00 57.97 61.85 1rf5 h PHE 417 Cb 2.06 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.70 1rf5 h PHE 417 CO 1.40 0.63 -0.42 0.74 -2.23 0.00 0.00 178.31 178.43 1rf5 h PHE 418 N 0.01 0.00 -0.08 0.41 0.04 -1.88 -2.37 116.94 113.07 1rf5 h PHE 418 Ca 0.04 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.63 1rf5 h PHE 418 Cb 0.53 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1rf5 h PHE 418 CO 0.06 0.42 -0.70 -0.44 -0.60 0.00 0.00 178.31 177.06 1rf5 h ASP 419 N 0.00 0.42 -0.07 2.17 5.19 -1.87 -2.41 116.42 119.85 1rf5 h ASP 419 Ca -0.00 -0.27 -0.22 0.00 -0.62 0.00 0.00 57.03 55.92 1rf5 h ASP 419 Cb 1.06 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 40.46 1rf5 h ASP 419 CO 0.05 0.99 -0.80 0.44 -3.12 0.00 0.00 179.24 176.80 1rf5 h ASP 420 N 0.25 0.88 -0.20 6.45 3.32 -1.21 -3.16 116.42 122.75 1rf5 h ASP 420 Ca -0.02 -0.59 -0.11 0.00 0.02 0.00 0.00 57.03 56.33 1rf5 h ASP 420 Cb 1.25 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1rf5 h ASP 420 CO 0.12 1.38 -0.24 0.25 -1.72 0.00 0.00 179.24 179.03 1rf5 h LEU 421 N 0.49 0.67 -1.02 1.55 5.85 -1.46 -2.88 115.31 118.51 1rf5 h LEU 421 Ca -0.06 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 1rf5 h LEU 421 Cb 1.42 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 1rf5 h LEU 421 CO 0.16 0.89 0.36 -0.08 -0.34 0.00 0.00 178.44 179.43 1rf5 h GLU 422 N 0.58 1.05 0.00 1.25 4.57 -1.47 -2.26 114.58 118.30 1rf5 h GLU 422 Ca 0.08 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1rf5 h GLU 422 Cb 0.72 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1rf5 h GLU 422 CO 0.06 0.81 -0.19 0.66 -1.18 0.00 0.00 179.01 179.16 1rf5 h SER 423 N 1.05 0.00 0.61 1.04 4.64 -1.50 -3.13 113.55 116.26 1rf5 h SER 423 Ca 0.26 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.30 1rf5 h SER 423 Cb 0.10 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1rf5 h SER 423 CO -0.03 0.19 -1.27 -0.07 -0.87 0.00 0.00 176.83 174.78 1rf5 h LEU 424 N 0.00 0.44 -0.29 5.97 3.38 -1.21 -2.22 115.31 121.38 1rf5 h LEU 424 Ca -0.00 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 1rf5 h LEU 424 Cb 0.88 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1rf5 h LEU 424 CO 0.03 1.38 -0.18 0.40 0.09 0.00 0.00 178.44 180.15 1rf5 h ILE 425 N 0.08 1.30 -0.01 1.22 2.04 -1.45 -0.92 117.51 119.76 1rf5 h ILE 425 Ca -0.15 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.41 1rf5 h ILE 425 Cb 1.98 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1rf5 h ILE 425 CO 0.20 0.42 -0.01 1.41 0.00 0.00 0.00 178.15 180.17 1rf5 n HIS 426 N -4.37 0.00 1.69 1.37 8.25 -1.18 -4.78 115.22 116.20 1rf5 n HIS 426 Ca -0.04 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.56 1rf5 n HIS 426 Cb 0.40 -0.01 0.80 0.00 1.12 0.00 0.00 29.99 32.31 1rf5 n HIS 426 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39