#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rf4 s LYS 2 N 0.00 4.20 0.18 3.17 2.36 -1.26 -0.81 119.74 127.58 1rf4 s LYS 2 Ca 0.00 0.95 -0.10 0.00 -2.55 0.00 0.00 55.97 54.27 1rf4 s LYS 2 Cb 0.00 -3.63 -0.07 0.00 -1.05 0.00 0.00 37.83 33.08 1rf4 s LYS 2 CO 0.00 -0.47 0.50 -0.51 1.55 0.00 0.00 175.35 176.42 1rf4 s LEU 3 N 2.68 4.25 0.35 5.43 1.02 -0.88 -4.99 118.68 126.54 1rf4 s LEU 3 Ca 0.35 0.88 -0.28 0.00 0.02 0.00 0.00 54.13 55.10 1rf4 s LEU 3 Cb -0.16 -3.43 -0.11 0.00 0.02 0.00 0.00 46.19 42.52 1rf4 s LEU 3 CO 0.08 0.02 1.37 -0.54 0.02 0.00 0.00 176.35 177.31 1rf4 s LYS 4 N -2.47 4.27 0.21 1.70 3.01 -1.26 -4.63 119.74 120.56 1rf4 s LYS 4 Ca 0.42 2.35 0.03 0.00 -1.01 0.00 0.00 55.97 57.75 1rf4 s LYS 4 Cb -0.13 -3.03 -0.05 0.00 -1.01 0.00 0.00 37.83 33.61 1rf4 s LYS 4 CO 0.21 -0.32 0.00 0.95 0.51 0.00 0.00 175.35 176.71 1rf4 s THR 5 N -1.11 0.88 -1.42 2.17 -4.23 -1.26 -3.74 115.64 106.93 1rf4 s THR 5 Ca 0.50 -2.01 -0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1rf4 s THR 5 Cb -0.42 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1rf4 s THR 5 CO 0.56 -0.36 0.41 -3.20 -0.54 0.00 0.00 174.62 171.50 1rf4 n ASN 6 N -0.36 -0.34 -4.75 3.99 4.05 -0.65 -4.91 115.26 112.30 1rf4 n ASN 6 Ca -0.05 -1.01 -0.41 0.00 0.45 0.00 0.00 54.58 53.56 1rf4 n ASN 6 Cb 0.64 -3.02 -0.03 0.00 1.23 0.00 0.00 39.78 38.60 1rf4 n ASN 6 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1rf4 s ILE 7 N -3.96 3.29 -1.43 -1.44 1.10 -0.67 -4.93 121.20 113.16 1rf4 s ILE 7 Ca 0.02 1.18 0.21 0.00 -0.51 0.00 0.00 60.65 61.55 1rf4 s ILE 7 Cb -0.01 -3.75 -0.13 0.00 0.15 0.00 0.00 42.46 38.72 1rf4 s ILE 7 CO 0.89 0.23 0.96 0.54 -2.11 0.00 0.00 174.94 175.46 1rf4 n ARG 8 N 1.77 0.69 -3.61 3.50 5.12 -1.26 -4.64 116.66 118.23 1rf4 n ARG 8 Ca 0.02 -0.45 -0.08 0.00 -1.93 0.00 0.00 57.85 55.42 1rf4 n ARG 8 Cb 0.44 -1.46 -0.05 0.00 -1.16 0.00 0.00 32.46 30.22 1rf4 n ARG 8 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1rf4 s HIS 9 N -2.70 -0.27 -0.17 -1.55 -3.43 -1.25 -4.33 115.29 101.59 1rf4 s HIS 9 Ca 0.12 0.53 -0.03 0.00 -0.80 0.00 0.00 55.06 54.87 1rf4 s HIS 9 Cb 0.16 0.45 0.06 0.00 -1.43 0.00 0.00 32.58 31.82 1rf4 s HIS 9 CO 0.71 -0.22 0.05 -0.51 -2.00 0.00 0.00 174.74 172.77 1rf4 s LEU 10 N -0.78 0.79 0.05 5.38 1.43 -1.24 -4.49 118.68 119.81 1rf4 s LEU 10 Ca 0.02 -0.65 0.03 0.00 -1.03 0.00 0.00 54.13 52.51 1rf4 s LEU 10 Cb -0.02 -0.44 -0.02 0.00 0.03 0.00 0.00 46.19 45.74 1rf4 s LEU 10 CO -0.03 -0.31 -0.09 -1.00 0.23 0.00 0.00 176.35 175.14 1rf4 s HIS 11 N 1.98 0.79 0.00 0.29 3.76 -1.13 -1.03 115.29 119.96 1rf4 s HIS 11 Ca 0.01 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 1rf4 s HIS 11 Cb -0.16 -0.46 0.00 0.00 1.11 0.00 0.00 32.58 33.07 1rf4 s HIS 11 CO -0.08 -0.05 0.00 0.41 -0.85 0.00 0.00 174.74 174.17 1rf4 n GLY 12 N 1.44 3.23 3.72 -2.22 0.00 -1.23 -4.39 105.19 105.74 1rf4 n GLY 12 Ca -0.22 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 1rf4 n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rf4 s ILE 13 N -2.01 4.81 -0.05 -0.61 1.01 -1.26 -2.14 121.20 120.95 1rf4 s ILE 13 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.62 1rf4 s ILE 13 Cb 0.00 -3.09 0.02 0.00 0.01 0.00 0.00 42.46 39.40 1rf4 s ILE 13 CO 0.00 0.56 -0.07 -0.63 0.00 0.00 0.00 174.94 174.81 1rf4 s ILE 14 N -0.53 0.70 -0.47 2.92 -1.09 -0.30 -4.98 121.20 117.46 1rf4 s ILE 14 Ca 0.10 -0.23 -0.06 0.00 -2.23 0.00 0.00 60.65 58.23 1rf4 s ILE 14 Cb -0.12 -0.68 0.12 0.00 -1.58 0.00 0.00 42.46 40.20 1rf4 s ILE 14 CO 0.02 0.26 0.30 -0.13 -1.23 0.00 0.00 174.94 174.16 1rf4 s ARG 15 N 0.76 2.30 0.85 2.79 0.52 -1.26 -1.50 118.95 123.40 1rf4 s ARG 15 Ca -0.12 -1.87 -0.12 0.00 -0.52 0.00 0.00 55.73 53.10 1rf4 s ARG 15 Cb -0.14 -3.77 0.11 0.00 0.52 0.00 0.00 34.95 31.66 1rf4 s ARG 15 CO 0.01 -1.14 1.18 0.14 0.02 0.00 0.00 175.30 175.50 1rf4 s VAL 16 N 1.11 2.13 0.99 3.52 -7.23 -1.26 -4.99 120.40 114.66 1rf4 s VAL 16 Ca 0.08 0.05 -0.12 0.00 -1.81 0.00 0.00 61.98 60.18 1rf4 s VAL 16 Cb -0.24 -2.30 0.18 0.00 0.56 0.00 0.00 36.38 34.59 1rf4 s VAL 16 CO -0.03 -0.05 1.09 -2.16 -0.31 0.00 0.00 175.10 173.65 1rf4 s PRO 17 N -4.38 0.50 0.71 4.82 0.04 -1.26 -4.57 135.00 130.86 1rf4 s PRO 17 Ca 0.70 0.57 -0.16 0.00 0.04 0.00 0.00 61.00 62.15 1rf4 s PRO 17 Cb -0.26 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1rf4 s PRO 17 CO 0.54 -2.70 0.69 0.41 0.04 0.00 0.00 177.00 175.97 1rf4 n GLY 18 N -1.03 -1.13 3.70 0.56 0.00 -1.25 -1.25 105.19 104.79 1rf4 n GLY 18 Ca 0.05 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1rf4 n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rf4 s ASP 19 N -1.50 6.62 0.04 1.61 -1.08 -0.32 -4.23 116.67 117.81 1rf4 s ASP 19 Ca 0.69 2.52 -0.24 0.00 -0.52 0.00 0.00 52.55 55.00 1rf4 s ASP 19 Cb -0.36 -2.58 -0.17 0.00 -1.46 0.00 0.00 42.92 38.36 1rf4 s ASP 19 CO 0.55 -0.84 1.49 0.50 0.52 0.00 0.00 175.17 177.39 1rf4 h LYS 20 N 7.54 0.04 -0.34 4.34 3.64 -1.92 -1.07 116.57 128.82 1rf4 h LYS 20 Ca -0.42 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.00 1rf4 h LYS 20 Cb 1.20 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1rf4 h LYS 20 CO 0.92 0.30 0.00 0.77 -2.27 0.00 0.00 179.45 179.17 1rf4 h SER 21 N -0.21 -0.13 -0.63 4.20 0.02 -2.00 -0.83 113.55 113.97 1rf4 h SER 21 Ca 0.01 0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 1rf4 h SER 21 Cb 0.27 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1rf4 h SER 21 CO 0.00 -0.03 0.06 0.40 -1.14 0.00 0.00 176.83 176.12 1rf4 h ILE 22 N 0.10 1.26 -0.35 3.27 2.04 -1.97 -2.38 117.51 119.49 1rf4 h ILE 22 Ca 0.16 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 1rf4 h ILE 22 Cb 0.22 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1rf4 h ILE 22 CO -0.27 0.40 0.20 0.28 0.00 0.00 0.00 178.15 178.76 1rf4 h SER 23 N 1.00 0.42 0.09 1.72 0.02 -0.67 0.11 113.55 116.24 1rf4 h SER 23 Ca 0.19 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1rf4 h SER 23 Cb 0.49 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1rf4 h SER 23 CO 0.02 0.36 -0.17 0.45 -1.14 0.00 0.00 176.83 176.35 1rf4 h HIS 24 N 0.45 -0.45 -0.23 3.45 3.86 -1.08 -2.72 115.15 118.43 1rf4 h HIS 24 Ca 0.12 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1rf4 h HIS 24 Cb 0.02 0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1rf4 h HIS 24 CO -0.04 -0.25 0.04 0.00 0.86 0.00 0.00 177.93 178.54 1rf4 h ARG 25 N -0.33 0.33 -0.75 2.45 3.08 -1.17 -2.45 114.38 115.54 1rf4 h ARG 25 Ca 0.03 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.04 1rf4 h ARG 25 Cb 0.35 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1rf4 h ARG 25 CO -0.10 0.33 0.50 0.66 -1.07 0.00 0.00 179.97 180.28 1rf4 h SER 26 N 0.32 0.86 -0.17 7.04 4.64 -0.47 -0.26 113.55 125.52 1rf4 h SER 26 Ca 0.08 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.29 1rf4 h SER 26 Cb 0.16 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1rf4 h SER 26 CO -0.00 0.63 -0.23 0.40 -0.87 0.00 0.00 176.83 176.75 1rf4 h ILE 27 N 1.02 1.34 0.62 0.95 1.08 -1.35 -0.96 117.51 120.21 1rf4 h ILE 27 Ca 0.28 -1.44 -0.03 0.00 -0.39 0.00 0.00 64.86 63.28 1rf4 h ILE 27 Cb -0.12 1.87 0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1rf4 h ILE 27 CO -0.06 0.43 -0.30 0.40 -0.69 0.00 0.00 178.15 177.94 1rf4 h ILE 28 N 0.11 0.39 -0.87 -0.67 2.04 -1.17 0.61 117.51 117.96 1rf4 h ILE 28 Ca 0.02 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1rf4 h ILE 28 Cb 0.80 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1rf4 h ILE 28 CO 0.05 0.00 0.47 -0.26 0.00 0.00 0.00 178.15 178.42 1rf4 h PHE 29 N -0.83 1.20 -0.92 1.37 -1.00 -1.15 -0.74 116.94 114.87 1rf4 h PHE 29 Ca -0.08 -0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.70 1rf4 h PHE 29 Cb 0.64 -0.38 -0.05 0.00 3.61 0.00 0.00 35.95 39.76 1rf4 h PHE 29 CO -0.03 0.84 0.60 0.78 -1.61 0.00 0.00 178.31 178.89 1rf4 h GLY 30 N 1.22 1.32 0.83 -1.45 0.00 -0.98 0.86 103.07 104.87 1rf4 h GLY 30 Ca 0.31 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 1rf4 h GLY 30 CO -0.05 0.39 -0.35 1.76 0.00 0.00 0.00 176.54 178.30 1rf4 h SER 31 N 1.15 0.55 1.04 0.19 0.02 -0.12 -3.25 113.55 113.14 1rf4 h SER 31 Ca 0.36 -0.58 -0.07 0.00 -0.84 0.00 0.00 61.79 60.67 1rf4 h SER 31 Cb 0.01 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1rf4 h SER 31 CO -0.11 1.03 -0.34 -0.07 -1.14 0.00 0.00 176.83 176.20 1rf4 h LEU 32 N 0.10 0.00-10.54 5.07 3.38 -0.92 -0.28 115.31 112.11 1rf4 h LEU 32 Ca -0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 1rf4 h LEU 32 Cb 0.96 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.83 1rf4 h LEU 32 CO 0.08 0.34 0.33 0.00 0.09 0.00 0.00 178.44 179.27 1rf4 s ALA 33 N -3.47 1.96 -0.11 1.53 0.00 0.28 -1.88 121.76 120.07 1rf4 s ALA 33 Ca 0.01 -0.62 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 1rf4 s ALA 33 Cb 0.10 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1rf4 s ALA 33 CO 0.68 -2.21 0.08 -1.21 0.00 0.00 0.00 175.76 173.10 1rf4 s GLU 34 N -5.40 3.28 0.11 0.00 2.02 0.27 -2.00 118.70 116.98 1rf4 s GLU 34 Ca 0.64 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.37 1rf4 s GLU 34 Cb -0.13 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.08 1rf4 s GLU 34 CO 0.52 0.71 0.00 0.41 0.02 0.00 0.00 175.26 176.93 1rf4 n GLY 35 N 2.15 -3.10 3.83 -1.39 0.00 -1.26 -0.56 105.19 104.86 1rf4 n GLY 35 Ca -0.19 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 1rf4 n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rf4 s GLU 36 N -0.69 4.00 -0.04 1.61 2.12 -1.26 -1.39 118.70 123.05 1rf4 s GLU 36 Ca 0.00 0.50 0.05 0.00 0.36 0.00 0.00 54.97 55.88 1rf4 s GLU 36 Cb 0.00 -3.14 -0.01 0.00 0.26 0.00 0.00 34.13 31.25 1rf4 s GLU 36 CO 0.00 0.61 -0.19 0.99 -0.54 0.00 0.00 175.26 176.13 1rf4 s THR 37 N -1.21 1.57 -0.05 -1.70 2.01 -0.22 -3.70 115.64 112.35 1rf4 s THR 37 Ca 0.29 -0.82 0.06 0.00 0.31 0.00 0.00 61.69 61.54 1rf4 s THR 37 Cb -0.17 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.00 1rf4 s THR 37 CO 0.17 0.45 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.78 1rf4 s LYS 38 N -0.15 2.25 -0.12 4.92 1.02 -0.64 -0.23 119.74 126.78 1rf4 s LYS 38 Ca -0.00 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.21 1rf4 s LYS 38 Cb -0.11 -1.94 0.01 0.00 -0.52 0.00 0.00 37.83 35.27 1rf4 s LYS 38 CO 0.01 0.35 -0.21 0.08 -0.92 0.00 0.00 175.35 174.66 1rf4 s VAL 39 N -0.14 1.94 0.02 3.17 1.01 0.08 0.30 120.40 126.78 1rf4 s VAL 39 Ca -0.03 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.07 1rf4 s VAL 39 Cb -0.13 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1rf4 s VAL 39 CO 0.03 0.53 -0.06 -0.31 0.00 0.00 0.00 175.10 175.29 1rf4 s TYR 40 N 0.66 2.90 -1.60 5.22 1.51 0.11 -2.13 117.35 124.02 1rf4 s TYR 40 Ca -0.12 -0.04 -0.04 0.00 -1.01 0.00 0.00 57.07 55.87 1rf4 s TYR 40 Cb -0.16 -1.59 0.01 0.00 -0.11 0.00 0.00 41.96 40.10 1rf4 s TYR 40 CO 0.02 0.39 0.49 -0.25 -1.11 0.00 0.00 175.55 175.09 1rf4 n ASP 41 N 1.39 -6.04 -4.76 2.29 8.00 -1.26 -1.55 116.55 114.62 1rf4 n ASP 41 Ca -0.15 -0.24 -0.34 0.00 0.71 0.00 0.00 54.79 54.78 1rf4 n ASP 41 Cb 0.52 -4.91 0.05 0.00 -0.02 0.00 0.00 41.12 36.76 1rf4 n ASP 41 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1rf4 s ILE 42 N -3.15 2.99 -0.08 0.53 2.07 -1.26 -3.97 121.20 118.33 1rf4 s ILE 42 Ca 0.25 0.50 -0.28 0.00 -1.41 0.00 0.00 60.65 59.71 1rf4 s ILE 42 Cb -0.11 -3.06 -0.02 0.00 0.13 0.00 0.00 42.46 39.40 1rf4 s ILE 42 CO 0.31 -0.24 0.94 -0.22 -1.91 0.00 0.00 174.94 173.82 1rf4 s LEU 43 N -4.67 4.27 -0.39 8.50 0.20 -1.26 -4.55 118.68 120.77 1rf4 s LEU 43 Ca 0.70 1.48 0.06 0.00 0.69 0.00 0.00 54.13 57.06 1rf4 s LEU 43 Cb -0.24 -3.46 0.66 0.00 -0.43 0.00 0.00 46.19 42.72 1rf4 s LEU 43 CO 0.39 -0.36 1.82 0.54 -0.29 0.00 0.00 176.35 178.45 1rf4 n ARG 44 N 4.64 2.54 -0.78 1.98 1.74 -1.26 -4.74 116.66 120.78 1rf4 n ARG 44 Ca 0.06 -3.05 -0.30 0.00 -0.77 0.00 0.00 57.85 53.79 1rf4 n ARG 44 Cb 0.50 -2.13 0.18 0.00 -1.02 0.00 0.00 32.46 29.98 1rf4 n ARG 44 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1rf4 s GLY 45 N -1.43 1.64 0.35 -0.13 0.00 -1.26 -4.73 107.32 101.75 1rf4 s GLY 45 Ca 0.55 0.27 0.08 0.00 0.00 0.00 0.00 44.72 45.61 1rf4 s GLY 45 CO 0.10 0.78 1.90 0.83 0.00 0.00 0.00 173.10 176.70 1rf4 h GLU 46 N -1.97 0.71 -0.68 2.90 4.39 -1.16 -2.37 114.58 116.40 1rf4 h GLU 46 Ca -0.49 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.15 1rf4 h GLU 46 Cb 1.29 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.74 1rf4 h GLU 46 CO 0.47 0.47 0.37 -0.44 -1.16 0.00 0.00 179.01 178.72 1rf4 h ASP 47 N 0.73 0.85 -0.38 1.42 3.45 -1.81 -0.07 116.42 120.60 1rf4 h ASP 47 Ca 0.40 -0.10 -0.13 0.00 0.43 0.00 0.00 57.03 57.64 1rf4 h ASP 47 Cb 0.55 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 1rf4 h ASP 47 CO -0.17 0.70 -0.25 0.58 -1.57 0.00 0.00 179.24 178.53 1rf4 h VAL 48 N 0.93 1.27 -0.60 -1.35 2.07 -1.69 -2.37 116.25 114.51 1rf4 h VAL 48 Ca 0.24 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1rf4 h VAL 48 Cb 0.04 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1rf4 h VAL 48 CO -0.04 0.48 0.33 -0.07 0.02 0.00 0.00 177.57 178.29 1rf4 h LEU 49 N 0.77 0.73 0.06 2.57 3.38 -1.03 -1.07 115.31 120.72 1rf4 h LEU 49 Ca 0.10 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1rf4 h LEU 49 Cb 0.81 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1rf4 h LEU 49 CO 0.07 0.59 -0.03 0.28 0.09 0.00 0.00 178.44 179.44 1rf4 h SER 50 N 0.83 -0.07 -0.40 -0.43 0.02 -0.64 -1.46 113.55 111.40 1rf4 h SER 50 Ca 0.21 -0.08 0.06 0.00 -0.84 0.00 0.00 61.79 61.14 1rf4 h SER 50 Cb 0.02 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 1rf4 h SER 50 CO -0.04 0.04 0.09 0.74 -1.14 0.00 0.00 176.83 176.53 1rf4 h THR 51 N -0.18 0.81 -0.28 -2.27 2.02 -0.91 -0.63 112.91 111.47 1rf4 h THR 51 Ca -0.01 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.14 1rf4 h THR 51 Cb 0.15 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1rf4 h THR 51 CO 0.01 0.04 0.03 0.24 0.37 0.00 0.00 175.52 176.22 1rf4 h MET 52 N 0.23 0.13 -0.55 6.66 2.07 -1.02 -1.78 114.93 120.67 1rf4 h MET 52 Ca 0.19 -0.01 -0.02 0.00 -2.07 0.00 0.00 59.70 57.79 1rf4 h MET 52 Cb 0.22 -0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 29.89 1rf4 h MET 52 CO -0.24 0.08 0.25 0.37 1.07 0.00 0.00 176.91 178.45 1rf4 h GLN 53 N 0.13 0.77 -0.05 1.72 5.75 -0.79 -1.71 115.11 120.92 1rf4 h GLN 53 Ca 0.13 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1rf4 h GLN 53 Cb 0.15 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 1rf4 h GLN 53 CO -0.19 0.61 -0.09 0.28 -2.65 0.00 0.00 178.83 176.79 1rf4 h VAL 54 N 0.77 0.77 0.00 2.39 2.07 -0.28 0.10 116.25 122.07 1rf4 h VAL 54 Ca 0.19 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.65 1rf4 h VAL 54 Cb 0.09 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1rf4 h VAL 54 CO -0.02 0.00 -0.27 -0.26 0.02 0.00 0.00 177.57 177.03 1rf4 h PHE 55 N -0.12 0.00 -0.44 1.57 -1.00 -1.06 -1.37 116.94 114.52 1rf4 h PHE 55 Ca 0.05 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.71 1rf4 h PHE 55 Cb 0.20 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 1rf4 h PHE 55 CO -0.18 0.27 -0.22 0.00 -1.61 0.00 0.00 178.31 176.58 1rf4 h ARG 56 N 0.00 0.93 0.00 1.51 3.08 -0.59 0.16 114.38 119.47 1rf4 h ARG 56 Ca -0.00 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.61 1rf4 h ARG 56 Cb 0.63 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1rf4 h ARG 56 CO 0.04 1.06 -0.13 -0.44 -1.07 0.00 0.00 179.97 179.43 1rf4 h ASP 57 N 0.76 0.00 -0.22 7.04 3.45 0.01 0.18 116.42 127.65 1rf4 h ASP 57 Ca 0.10 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.56 1rf4 h ASP 57 Cb 0.79 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.56 1rf4 h ASP 57 CO 0.07 0.13 0.00 0.18 -1.57 0.00 0.00 179.24 178.05 1rf4 n LEU 58 N -4.19 1.37 0.00 1.55 4.32 -0.60 -4.26 117.00 115.19 1rf4 n LEU 58 Ca -0.02 -0.69 0.00 0.00 -0.02 0.00 0.00 56.01 55.28 1rf4 n LEU 58 Cb 0.21 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1rf4 n LEU 58 CO 0.34 0.31 0.00 0.61 -1.22 0.00 0.00 177.39 177.43 1rf4 n GLY 59 N 0.78 0.72 3.74 -0.72 0.00 0.05 -0.72 105.19 109.04 1rf4 n GLY 59 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1rf4 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf4 s VAL 60 N -2.53 4.91 -0.27 1.61 1.01 0.51 -4.97 120.40 120.68 1rf4 s VAL 60 Ca 0.00 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 1rf4 s VAL 60 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1rf4 s VAL 60 CO 0.00 0.33 1.18 -1.61 0.00 0.00 0.00 175.10 174.99 1rf4 s GLU 61 N 0.29 4.09 -0.20 2.72 2.02 -1.26 -3.91 118.70 122.44 1rf4 s GLU 61 Ca 0.36 1.29 -0.02 0.00 0.02 0.00 0.00 54.97 56.62 1rf4 s GLU 61 Cb -0.19 -3.77 0.06 0.00 0.10 0.00 0.00 34.13 30.34 1rf4 s GLU 61 CO 0.19 -0.88 0.03 0.42 0.02 0.00 0.00 175.26 175.04 1rf4 s ILE 62 N 3.76 0.62 -0.15 -1.63 1.01 -1.26 -1.56 121.20 122.00 1rf4 s ILE 62 Ca 0.50 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.46 1rf4 s ILE 62 Cb -0.16 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 1rf4 s ILE 62 CO 0.16 -0.23 -0.04 -0.70 0.00 0.00 0.00 174.94 174.13 1rf4 s GLU 63 N 1.81 3.61 -0.44 2.79 2.12 -0.63 -4.96 118.70 123.00 1rf4 s GLU 63 Ca -0.01 -0.52 -0.09 0.00 0.36 0.00 0.00 54.97 54.71 1rf4 s GLU 63 Cb -0.17 -2.88 0.09 0.00 0.26 0.00 0.00 34.13 31.43 1rf4 s GLU 63 CO -0.09 0.27 0.29 0.34 -0.54 0.00 0.00 175.26 175.53 1rf4 s ASP 64 N 0.28 5.64 -0.03 -1.70 3.68 -1.26 -0.63 116.67 122.65 1rf4 s ASP 64 Ca -0.03 -1.67 0.02 0.00 2.13 0.00 0.00 52.55 52.99 1rf4 s ASP 64 Cb -0.14 -1.99 0.01 0.00 -1.45 0.00 0.00 42.92 39.35 1rf4 s ASP 64 CO 0.03 -0.59 -0.08 -0.75 0.13 0.00 0.00 175.17 173.90 1rf4 s LYS 65 N 1.39 0.94 -1.61 4.34 2.20 -0.14 -4.84 119.74 122.02 1rf4 s LYS 65 Ca 0.04 -0.28 -0.09 0.00 -0.36 0.00 0.00 55.97 55.29 1rf4 s LYS 65 Cb -0.24 -0.88 0.08 0.00 -1.51 0.00 0.00 37.83 35.28 1rf4 s LYS 65 CO 0.01 0.09 0.40 -0.25 -0.36 0.00 0.00 175.35 175.23 1rf4 n ASP 66 N 3.38 -0.84 0.00 1.43 8.00 -1.26 -0.15 116.55 127.11 1rf4 n ASP 66 Ca -0.19 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.17 1rf4 n ASP 66 Cb 0.54 -2.23 0.00 0.00 -0.02 0.00 0.00 41.12 39.41 1rf4 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rf4 n GLY 67 N -1.88 1.95 3.55 0.44 0.00 -1.26 -5.00 105.19 102.98 1rf4 n GLY 67 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1rf4 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf4 s VAL 68 N -3.13 3.74 -0.25 1.61 1.01 0.78 -4.49 120.40 119.67 1rf4 s VAL 68 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1rf4 s VAL 68 Cb 0.00 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1rf4 s VAL 68 CO 0.00 0.56 0.25 -0.63 0.00 0.00 0.00 175.10 175.29 1rf4 s ILE 69 N -0.41 5.28 -0.21 2.22 -1.09 -0.91 -0.96 121.20 125.13 1rf4 s ILE 69 Ca 0.06 0.35 -0.02 0.00 -2.23 0.00 0.00 60.65 58.81 1rf4 s ILE 69 Cb -0.12 -3.59 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 1rf4 s ILE 69 CO 0.02 0.26 -0.11 -0.89 -1.23 0.00 0.00 174.94 173.00 1rf4 s THR 70 N 1.51 2.77 -0.16 2.92 2.01 0.20 -0.74 115.64 124.14 1rf4 s THR 70 Ca 0.11 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.32 1rf4 s THR 70 Cb -0.15 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 1rf4 s THR 70 CO 0.08 0.43 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.71 1rf4 s VAL 71 N 1.38 3.72 -0.63 3.82 1.01 0.67 -1.61 120.40 128.77 1rf4 s VAL 71 Ca 0.05 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 1rf4 s VAL 71 Cb -0.14 -2.64 0.11 0.00 0.00 0.00 0.00 36.38 33.72 1rf4 s VAL 71 CO -0.07 0.48 0.74 -1.10 0.00 0.00 0.00 175.10 175.14 1rf4 s GLN 72 N 0.57 3.12 0.46 2.72 -1.52 -0.60 -1.06 119.66 123.34 1rf4 s GLN 72 Ca -0.03 -1.43 -0.23 0.00 -1.95 0.00 0.00 55.36 51.71 1rf4 s GLN 72 Cb -0.15 -4.32 -0.09 0.00 -0.22 0.00 0.00 33.01 28.23 1rf4 s GLN 72 CO 0.03 -1.54 0.98 0.41 -0.25 0.00 0.00 175.29 174.92 1rf4 n GLY 73 N 5.21 -0.28 0.62 3.09 0.00 -0.49 -4.30 105.19 109.04 1rf4 n GLY 73 Ca -0.06 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1rf4 n GLY 73 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rf4 n VAL 74 N -0.76 0.42 0.00 1.61 0.24 -0.12 -4.38 118.33 115.35 1rf4 n VAL 74 Ca 0.10 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 1rf4 n VAL 74 Cb 0.41 0.95 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 1rf4 n VAL 74 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rf4 n GLY 75 N 0.72 2.39 0.00 7.63 0.00 -0.85 -3.41 105.19 111.67 1rf4 n GLY 75 Ca 0.10 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1rf4 n GLY 75 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1rf4 n MET 76 N 0.00 0.00 -0.99 1.61 1.56 -0.79 -4.18 117.12 114.33 1rf4 n MET 76 Ca 0.00 0.00 0.04 0.00 -0.27 0.00 0.00 57.70 57.47 1rf4 n MET 76 Cb 0.00 0.00 0.05 0.00 2.15 0.00 0.00 33.22 35.42 1rf4 n MET 76 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1rf4 n ALA 77 N 0.00 2.47 1.04 -5.12 0.00 -1.26 -4.83 120.51 112.80 1rf4 n ALA 77 Ca 0.00 -2.18 0.12 0.00 0.00 0.00 0.00 53.44 51.37 1rf4 n ALA 77 Cb 0.00 -0.59 0.10 0.00 0.00 0.00 0.00 19.45 18.96 1rf4 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rf4 n GLY 78 N -0.04 0.59 3.76 0.00 0.00 -1.22 -4.98 105.19 103.30 1rf4 n GLY 78 Ca 0.07 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 1rf4 n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rf4 s LEU 79 N -2.16 3.98 0.12 0.99 1.02 -1.26 -4.93 118.68 116.43 1rf4 s LEU 79 Ca 0.26 2.55 0.09 0.00 0.02 0.00 0.00 54.13 57.04 1rf4 s LEU 79 Cb 0.19 -4.20 -0.04 0.00 0.02 0.00 0.00 46.19 42.16 1rf4 s LEU 79 CO 0.39 -1.17 -0.19 -0.54 0.02 0.00 0.00 176.35 174.87 1rf4 s LYS 80 N -2.71 1.75 0.22 1.70 1.02 0.10 -4.96 119.74 116.86 1rf4 s LYS 80 Ca 0.66 -1.20 -0.32 0.00 0.02 0.00 0.00 55.97 55.13 1rf4 s LYS 80 Cb -0.35 -2.09 -0.12 0.00 -0.52 0.00 0.00 37.83 34.74 1rf4 s LYS 80 CO 0.42 0.48 1.62 0.00 -0.92 0.00 0.00 175.35 176.95 1rf4 n ALA 81 N 0.78 2.25 -1.82 5.17 0.00 -1.26 -4.46 120.51 121.18 1rf4 n ALA 81 Ca -0.16 0.40 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 1rf4 n ALA 81 Cb 0.53 -2.44 -0.05 0.00 0.00 0.00 0.00 19.45 17.49 1rf4 n ALA 81 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rf4 s PRO 82 N 0.50 4.03 0.24 0.00 0.04 -1.26 -4.91 135.00 133.64 1rf4 s PRO 82 Ca 0.72 1.08 0.02 0.00 0.04 0.00 0.00 61.00 62.87 1rf4 s PRO 82 Cb -0.56 -2.15 0.27 0.00 0.04 0.00 0.00 34.50 32.11 1rf4 s PRO 82 CO 0.40 -0.21 1.59 -0.56 0.04 0.00 0.00 177.00 178.26 1rf4 h GLN 83 N 1.40 0.36 0.00 4.56 -0.00 -1.93 -3.47 115.11 116.03 1rf4 h GLN 83 Ca -0.48 -0.21 -0.20 0.00 -0.00 0.00 0.00 58.65 57.77 1rf4 h GLN 83 Cb 1.19 0.02 -0.05 0.00 -0.00 0.00 0.00 27.48 28.64 1rf4 h GLN 83 CO 0.61 0.78 -0.18 0.09 -0.00 0.00 0.00 178.83 180.13 1rf4 n ASN 84 N -3.96 0.33 -4.77 0.06 3.02 -1.26 -5.14 115.26 103.54 1rf4 n ASN 84 Ca -0.02 -1.83 -0.36 0.00 -0.03 0.00 0.00 54.58 52.33 1rf4 n ASN 84 Cb 0.56 0.53 0.01 0.00 -0.61 0.00 0.00 39.78 40.27 1rf4 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rf4 s ALA 85 N -2.47 2.72 -0.22 5.41 0.00 -1.26 -4.82 121.76 121.13 1rf4 s ALA 85 Ca 0.12 0.94 -0.24 0.00 0.00 0.00 0.00 51.96 52.78 1rf4 s ALA 85 Cb 0.01 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1rf4 s ALA 85 CO 0.08 -0.90 0.79 -0.51 0.00 0.00 0.00 175.76 175.22 1rf4 s LEU 86 N -3.68 4.11 -0.55 0.00 1.43 0.15 -4.98 118.68 115.17 1rf4 s LEU 86 Ca 0.72 1.02 -0.21 0.00 -1.03 0.00 0.00 54.13 54.63 1rf4 s LEU 86 Cb -0.28 -3.13 0.06 0.00 0.03 0.00 0.00 46.19 42.86 1rf4 s LEU 86 CO 0.32 -0.44 0.79 0.21 0.23 0.00 0.00 176.35 177.46 1rf4 s ASN 87 N 1.28 6.26 0.00 2.29 3.84 -1.26 -2.18 114.94 125.17 1rf4 s ASN 87 Ca 0.34 -0.76 0.29 0.00 0.21 0.00 0.00 52.86 52.94 1rf4 s ASN 87 Cb -0.16 -2.36 1.20 0.00 -0.55 0.00 0.00 41.25 39.38 1rf4 s ASN 87 CO 0.09 -1.10 1.84 0.23 -2.79 0.00 0.00 177.10 175.36 1rf4 n MET 88 N 6.86 0.96 0.00 0.43 2.81 -0.09 -4.81 117.12 123.28 1rf4 n MET 88 Ca -0.03 -0.40 0.00 0.00 -1.81 0.00 0.00 57.70 55.46 1rf4 n MET 88 Cb 0.46 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1rf4 n MET 88 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf4 n GLY 89 N 1.23 3.61 0.44 3.03 0.00 -1.26 -1.40 105.19 110.83 1rf4 n GLY 89 Ca 0.16 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.39 1rf4 n GLY 89 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rf4 n ASN 90 N 5.89 1.88 -4.58 1.61 2.85 -1.26 -0.38 115.26 121.28 1rf4 n ASN 90 Ca 0.00 -1.44 -0.41 0.00 -0.11 0.00 0.00 54.58 52.62 1rf4 n ASN 90 Cb 0.00 0.51 -0.03 0.00 1.24 0.00 0.00 39.78 41.51 1rf4 n ASN 90 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1rf4 s SER 91 N -2.39 5.76 0.17 1.20 0.15 -0.50 -4.76 113.70 113.34 1rf4 s SER 91 Ca 0.17 0.82 -0.05 0.00 0.70 0.00 0.00 55.95 57.59 1rf4 s SER 91 Cb 0.17 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 62.00 1rf4 s SER 91 CO 0.56 -1.90 1.46 1.23 1.20 0.00 0.00 173.24 175.79 1rf4 h GLY 92 N 14.35 0.64 0.85 9.45 0.00 -1.93 -3.02 103.07 123.42 1rf4 h GLY 92 Ca -0.30 -0.79 0.03 0.00 0.00 0.00 0.00 47.33 46.27 1rf4 h GLY 92 CO 1.12 0.71 0.31 -0.84 0.00 0.00 0.00 176.54 177.83 1rf4 h THR 93 N 0.43 1.04 0.40 4.70 2.02 -1.97 -1.16 112.91 118.37 1rf4 h THR 93 Ca -0.01 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1rf4 h THR 93 Cb 1.18 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1rf4 h THR 93 CO 0.12 0.11 -0.24 0.28 0.37 0.00 0.00 175.52 176.16 1rf4 h SER 94 N 0.62 -0.60 -0.54 4.18 0.02 -1.89 0.23 113.55 115.58 1rf4 h SER 94 Ca 0.22 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.12 1rf4 h SER 94 Cb 0.04 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1rf4 h SER 94 CO -0.10 -0.39 0.02 -0.29 -1.14 0.00 0.00 176.83 174.92 1rf4 h ILE 95 N -0.61 1.26 0.10 3.27 2.10 -1.45 -0.22 117.51 121.96 1rf4 h ILE 95 Ca -0.04 -1.08 -0.00 0.00 1.08 0.00 0.00 64.86 64.81 1rf4 h ILE 95 Cb 0.50 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 37.13 1rf4 h ILE 95 CO 0.05 0.38 -0.05 0.03 -1.08 0.00 0.00 178.15 177.49 1rf4 h ARG 96 N 0.81 -0.13 -0.42 2.19 2.47 -1.18 -2.47 114.38 115.66 1rf4 h ARG 96 Ca 0.15 0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.83 1rf4 h ARG 96 Cb 0.51 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.84 1rf4 h ARG 96 CO 0.02 0.24 0.05 -0.07 0.56 0.00 0.00 179.97 180.78 1rf4 h LEU 97 N -0.52 0.67 -1.70 3.04 3.38 -0.97 -3.06 115.31 116.17 1rf4 h LEU 97 Ca -0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1rf4 h LEU 97 Cb 0.43 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1rf4 h LEU 97 CO 0.02 0.78 -0.15 0.40 0.09 0.00 0.00 178.44 179.58 1rf4 h ILE 98 N 0.55 0.53 -0.70 1.22 2.04 -1.10 -2.17 117.51 117.88 1rf4 h ILE 98 Ca 0.12 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1rf4 h ILE 98 Cb 0.40 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1rf4 h ILE 98 CO 0.01 0.14 0.41 0.28 0.00 0.00 0.00 178.15 179.00 1rf4 h SER 99 N 0.00 0.85 -0.10 1.72 0.02 -1.33 -0.89 113.55 113.82 1rf4 h SER 99 Ca -0.00 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.74 1rf4 h SER 99 Cb 0.45 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1rf4 h SER 99 CO 0.02 0.67 -0.39 1.23 -1.14 0.00 0.00 176.83 177.22 1rf4 h GLY 100 N 0.96 0.68 1.83 -3.77 0.00 -1.47 -2.76 103.07 98.53 1rf4 h GLY 100 Ca 0.25 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1rf4 h GLY 100 CO -0.05 0.61 -0.00 -2.08 0.00 0.00 0.00 176.54 175.02 1rf4 h VAL 101 N 0.52 1.10 -0.01 4.60 2.07 -0.88 -2.02 116.25 121.63 1rf4 h VAL 101 Ca 0.05 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1rf4 h VAL 101 Cb 0.90 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1rf4 h VAL 101 CO 0.08 0.13 -0.14 0.18 0.02 0.00 0.00 177.57 177.84 1rf4 n LEU 102 N -4.40 1.31 -0.05 2.57 4.77 -0.41 -4.29 117.00 116.49 1rf4 n LEU 102 Ca -0.01 -0.40 0.24 0.00 -0.03 0.00 0.00 56.01 55.82 1rf4 n LEU 102 Cb 0.16 -0.06 0.63 0.00 -2.33 0.00 0.00 43.42 41.82 1rf4 n LEU 102 CO 0.36 0.23 1.22 0.00 -1.33 0.00 0.00 177.39 177.87 1rf4 h ALA 103 N 4.02 2.50 -0.16 -1.18 0.00 -1.08 0.37 119.26 123.73 1rf4 h ALA 103 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rf4 h ALA 103 Cb 0.52 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1rf4 h ALA 103 CO 0.00 -1.14 0.00 0.41 0.00 0.00 0.00 179.25 178.52 1rf4 n GLY 104 N -1.59 1.24 3.63 0.00 0.00 -1.26 -2.28 105.19 104.93 1rf4 n GLY 104 Ca 0.15 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1rf4 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf4 s ALA 105 N -0.89 3.34 -1.59 4.61 0.00 0.13 -4.34 121.76 123.01 1rf4 s ALA 105 Ca 0.15 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 1rf4 s ALA 105 Cb 0.09 -3.79 -0.06 0.00 0.00 0.00 0.00 23.12 19.35 1rf4 s ALA 105 CO 0.12 -1.81 2.82 -3.47 0.00 0.00 0.00 175.76 173.43 1rf4 n ASP 106 N 7.80 7.81 -3.64 0.00 2.03 -1.26 -0.98 116.55 128.30 1rf4 n ASP 106 Ca 0.16 -2.62 -0.04 0.00 0.52 0.00 0.00 54.79 52.81 1rf4 n ASP 106 Cb 0.46 -1.58 -0.01 0.00 -0.72 0.00 0.00 41.12 39.27 1rf4 n ASP 106 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1rf4 s PHE 107 N 2.38 -0.17 0.05 -0.67 -0.12 -1.26 -4.99 117.98 113.20 1rf4 s PHE 107 Ca 0.65 -0.02 -0.00 0.00 -0.05 0.00 0.00 56.93 57.51 1rf4 s PHE 107 Cb 0.17 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 43.10 1rf4 s PHE 107 CO -0.07 -0.57 0.19 -2.00 -0.05 0.00 0.00 175.22 172.72 1rf4 s GLU 108 N -2.97 3.37 0.03 1.99 2.12 -1.26 -3.27 118.70 118.71 1rf4 s GLU 108 Ca 0.10 -0.45 -0.14 0.00 0.36 0.00 0.00 54.97 54.85 1rf4 s GLU 108 Cb 0.00 -3.01 0.02 0.00 0.26 0.00 0.00 34.13 31.40 1rf4 s GLU 108 CO -0.03 0.62 0.29 0.54 -0.54 0.00 0.00 175.26 176.14 1rf4 s VAL 109 N -1.46 0.08 -0.06 3.70 0.11 0.26 -4.82 120.40 118.20 1rf4 s VAL 109 Ca 0.33 -0.63 0.03 0.00 -2.93 0.00 0.00 61.98 58.78 1rf4 s VAL 109 Cb -0.13 -0.83 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 1rf4 s VAL 109 CO 0.26 -0.35 -0.15 -0.70 -3.33 0.00 0.00 175.10 170.82 1rf4 s GLU 110 N -2.17 2.65 -0.16 1.54 2.12 -1.26 0.15 118.70 121.58 1rf4 s GLU 110 Ca -0.08 -0.72 0.01 0.00 0.36 0.00 0.00 54.97 54.54 1rf4 s GLU 110 Cb -0.02 -2.39 0.03 0.00 0.26 0.00 0.00 34.13 32.00 1rf4 s GLU 110 CO -0.01 0.53 -0.14 -1.64 -0.54 0.00 0.00 175.26 173.46 1rf4 s MET 111 N -0.48 2.32 0.30 4.30 -1.94 0.96 -0.67 119.30 124.09 1rf4 s MET 111 Ca 0.06 -0.66 0.05 0.00 -1.71 0.00 0.00 55.69 53.43 1rf4 s MET 111 Cb -0.12 -2.24 -0.06 0.00 2.01 0.00 0.00 34.83 34.42 1rf4 s MET 111 CO 0.02 -0.28 -0.00 -0.59 -0.01 0.00 0.00 175.02 174.15 1rf4 s PHE 112 N 1.44 1.96 0.00 -0.03 -0.71 -0.93 0.37 117.98 120.08 1rf4 s PHE 112 Ca 0.03 -0.82 0.00 0.00 -1.04 0.00 0.00 56.93 55.10 1rf4 s PHE 112 Cb -0.14 -1.21 0.00 0.00 -1.21 0.00 0.00 43.02 40.46 1rf4 s PHE 112 CO -0.10 0.15 0.00 0.41 -1.34 0.00 0.00 175.22 174.34 1rf4 n GLY 113 N -0.64 3.51 2.53 1.99 0.00 -1.26 -0.91 105.19 110.41 1rf4 n GLY 113 Ca -0.04 -1.39 -0.20 0.00 0.00 0.00 0.00 46.02 44.39 1rf4 n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rf4 n ASP 114 N -1.90 -0.24 -0.09 1.61 3.85 0.49 -4.70 116.55 115.57 1rf4 n ASP 114 Ca 0.00 -1.26 -0.06 0.00 -0.71 0.00 0.00 54.79 52.76 1rf4 n ASP 114 Cb 0.00 -0.68 -0.00 0.00 -1.35 0.00 0.00 41.12 39.09 1rf4 n ASP 114 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 1rf4 h ASP 115 N -1.33 -0.64 -0.07 -1.12 -0.00 -1.99 -1.21 116.42 110.06 1rf4 h ASP 115 Ca -0.28 0.14 0.01 0.00 -0.00 0.00 0.00 57.03 56.90 1rf4 h ASP 115 Cb 0.80 0.33 -0.01 0.00 -0.00 0.00 0.00 39.33 40.45 1rf4 h ASP 115 CO 0.20 -0.23 -0.01 0.77 -0.00 0.00 0.00 179.24 179.97 1rf4 h SER 116 N -0.15 -0.04 -0.87 4.15 4.64 -1.91 -2.70 113.55 116.68 1rf4 h SER 116 Ca 0.17 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.53 1rf4 h SER 116 Cb 0.41 0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.48 1rf4 h SER 116 CO -0.42 -0.01 0.57 0.25 -0.87 0.00 0.00 176.83 176.35 1rf4 h LEU 117 N 0.01 0.96 0.00 5.97 7.12 -1.77 -1.60 115.31 126.01 1rf4 h LEU 117 Ca 0.03 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.03 1rf4 h LEU 117 Cb 0.04 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 39.94 1rf4 h LEU 117 CO -0.06 0.67 0.00 -1.20 -0.13 0.00 0.00 178.44 177.73 1rf4 n SER 118 N -4.52 0.00 -0.34 1.25 7.64 -0.48 -1.33 113.62 115.83 1rf4 n SER 118 Ca 0.10 0.48 0.11 0.00 1.01 0.00 0.00 58.87 60.57 1rf4 n SER 118 Cb 0.06 -0.48 -0.04 0.00 -1.01 0.00 0.00 64.21 62.73 1rf4 n SER 118 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1rf4 n LYS 119 N -1.48 0.87 -3.61 1.43 5.02 -0.60 -4.04 118.16 115.74 1rf4 n LYS 119 Ca 0.01 -0.69 -0.37 0.00 -2.02 0.00 0.00 58.31 55.23 1rf4 n LYS 119 Cb 0.04 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.50 1rf4 n LYS 119 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1rf4 s ARG 120 N -2.62 3.91 0.32 1.97 0.52 -0.45 -5.05 118.95 117.55 1rf4 s ARG 120 Ca 0.15 0.16 -0.29 0.00 -0.52 0.00 0.00 55.73 55.24 1rf4 s ARG 120 Cb 0.17 -3.28 -0.10 0.00 0.52 0.00 0.00 34.95 32.26 1rf4 s ARG 120 CO 0.66 0.56 1.27 -1.25 0.02 0.00 0.00 175.30 176.56 1rf4 s PRO 121 N -0.52 4.40 0.00 3.54 0.04 -1.26 -4.28 135.00 136.91 1rf4 s PRO 121 Ca 0.19 2.14 0.01 0.00 0.04 0.00 0.00 61.00 63.39 1rf4 s PRO 121 Cb -0.14 -3.10 0.02 0.00 0.04 0.00 0.00 34.50 31.32 1rf4 s PRO 121 CO 0.08 -0.13 0.66 -1.33 0.04 0.00 0.00 177.00 176.32 1rf4 n MET 122 N 0.96 0.12 0.01 4.56 2.81 -0.67 -4.62 117.12 120.29 1rf4 n MET 122 Ca 0.00 -0.82 0.06 0.00 -1.81 0.00 0.00 57.70 55.13 1rf4 n MET 122 Cb 0.42 -1.03 0.46 0.00 -0.71 0.00 0.00 33.22 32.37 1rf4 n MET 122 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1rf4 h ASP 123 N 0.25 0.40 -0.10 7.83 2.03 -1.18 0.85 116.42 126.51 1rf4 h ASP 123 Ca 0.00 -0.01 0.03 0.00 -0.73 0.00 0.00 57.03 56.32 1rf4 h ASP 123 Cb 0.17 -0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 38.57 1rf4 h ASP 123 CO 0.00 0.28 0.11 0.08 -1.03 0.00 0.00 179.24 178.68 1rf4 h ARG 124 N 0.47 0.00 0.00 4.15 0.11 -1.84 -1.03 114.38 116.24 1rf4 h ARG 124 Ca 0.16 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.97 1rf4 h ARG 124 Cb 0.07 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.10 1rf4 h ARG 124 CO -0.04 0.00 -2.01 1.55 0.10 0.00 0.00 179.97 179.57 1rf4 n VAL 125 N -3.87 1.01 -0.23 0.08 3.14 -0.28 -4.45 118.33 113.74 1rf4 n VAL 125 Ca -0.00 -0.55 -0.08 0.00 -2.96 0.00 0.00 64.34 60.74 1rf4 n VAL 125 Cb 0.22 -0.78 0.03 0.00 -1.06 0.00 0.00 33.84 32.25 1rf4 n VAL 125 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 1rf4 h THR 126 N 0.00 1.26 0.47 1.55 1.35 -0.68 -2.21 112.91 114.66 1rf4 h THR 126 Ca -0.40 -1.06 -0.02 0.00 -0.55 0.00 0.00 66.41 64.39 1rf4 h THR 126 Cb 1.82 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.89 1rf4 h THR 126 CO -0.01 0.39 -0.43 0.25 -0.25 0.00 0.00 175.52 175.48 1rf4 h LEU 127 N 1.01 -1.16 -0.86 3.87 6.46 -1.43 -0.82 115.31 122.38 1rf4 h LEU 127 Ca 0.20 0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 58.01 1rf4 h LEU 127 Cb 0.46 0.38 -0.04 0.00 -0.73 0.00 0.00 40.66 40.73 1rf4 h LEU 127 CO 0.02 -0.58 0.35 1.55 -0.62 0.00 0.00 178.44 179.15 1rf4 h PRO 128 N -0.89 1.18 0.00 5.25 0.13 -1.77 -2.56 132.00 133.34 1rf4 h PRO 128 Ca -0.06 -0.20 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1rf4 h PRO 128 Cb 0.76 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 1rf4 h PRO 128 CO -0.03 0.94 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.59 1rf4 h LEU 129 N 1.16 0.00 -0.84 1.56 4.07 -1.26 -0.66 115.31 119.34 1rf4 h LEU 129 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1rf4 h LEU 129 Cb 0.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1rf4 h LEU 129 CO -0.03 0.01 0.00 0.11 -1.08 0.00 0.00 178.44 177.45 1rf4 h LYS 130 N 0.00 0.00 0.00 1.13 1.57 -0.72 -2.38 116.57 116.18 1rf4 h LYS 130 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1rf4 h LYS 130 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1rf4 h LYS 130 CO 0.00 0.00 -0.22 0.87 -0.57 0.00 0.00 179.45 179.53 1rf4 h LYS 131 N 0.00 0.00 -0.00 3.15 1.57 -1.07 -2.65 116.57 117.57 1rf4 h LYS 131 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rf4 h LYS 131 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1rf4 h LYS 131 CO 0.00 0.22 -0.23 -1.33 -0.57 0.00 0.00 179.45 177.53 1rf4 n MET 132 N -3.39 0.46 0.00 3.15 2.81 -0.93 -4.84 117.12 114.38 1rf4 n MET 132 Ca 0.00 -0.21 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 1rf4 n MET 132 Cb 0.42 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 1rf4 n MET 132 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf4 n GLY 133 N 1.38 1.03 3.82 3.03 0.00 -1.00 -1.01 105.19 112.43 1rf4 n GLY 133 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1rf4 n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf4 s VAL 134 N -2.00 4.72 -0.44 1.61 1.01 -0.98 -4.62 120.40 119.69 1rf4 s VAL 134 Ca 0.00 1.18 -0.14 0.00 0.00 0.00 0.00 61.98 63.02 1rf4 s VAL 134 Cb 0.00 -3.88 0.06 0.00 0.00 0.00 0.00 36.38 32.57 1rf4 s VAL 134 CO 0.00 0.45 0.34 -0.44 0.00 0.00 0.00 175.10 175.44 1rf4 s SER 135 N -1.31 5.99 -0.06 3.32 0.01 -0.95 -4.17 113.70 116.53 1rf4 s SER 135 Ca 0.33 -1.29 -0.03 0.00 1.31 0.00 0.00 55.95 56.27 1rf4 s SER 135 Cb -0.18 -2.12 0.04 0.00 0.21 0.00 0.00 66.02 63.96 1rf4 s SER 135 CO 0.20 -0.58 0.14 0.27 0.41 0.00 0.00 173.24 173.68 1rf4 s ILE 136 N 1.59 -0.07 -0.06 1.44 -4.36 -1.26 -1.44 121.20 117.04 1rf4 s ILE 136 Ca 0.04 0.20 -0.09 0.00 -0.26 0.00 0.00 60.65 60.54 1rf4 s ILE 136 Cb -0.23 -0.23 0.02 0.00 1.25 0.00 0.00 42.46 43.27 1rf4 s ILE 136 CO 0.06 0.08 0.23 -0.94 0.24 0.00 0.00 174.94 174.61 1rf4 s SER 137 N 1.29 -0.19 0.00 4.36 1.04 -1.03 -4.94 113.70 114.22 1rf4 s SER 137 Ca -0.08 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1rf4 s SER 137 Cb -0.12 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1rf4 s SER 137 CO -0.06 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1rf4 n GLY 138 N 2.46 5.72 3.77 7.32 0.00 -1.26 -2.02 105.19 121.18 1rf4 n GLY 138 Ca -0.16 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 1rf4 n GLY 138 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rf4 s GLN 139 N 1.75 4.15 0.89 1.61 -1.52 0.94 -4.72 119.66 122.75 1rf4 s GLN 139 Ca 0.00 0.35 0.00 0.00 -1.95 0.00 0.00 55.36 53.76 1rf4 s GLN 139 Cb 0.00 -3.35 0.00 0.00 -0.22 0.00 0.00 33.01 29.44 1rf4 s GLN 139 CO 0.00 0.39 0.00 0.25 -0.25 0.00 0.00 175.29 175.68 1rf4 n THR 140 N 2.91 0.00 0.21 -0.19 -2.24 -1.26 -0.94 114.28 112.76 1rf4 n THR 140 Ca -0.11 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.74 1rf4 n THR 140 Cb 0.52 -0.19 0.44 0.00 -2.10 0.00 0.00 70.33 68.99 1rf4 n THR 140 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1rf4 h GLU 141 N 0.00 0.00 0.00 -0.78 3.07 -2.01 -2.62 114.58 112.24 1rf4 h GLU 141 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1rf4 h GLU 141 Cb 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1rf4 h GLU 141 CO 0.00 0.31 0.00 0.54 -1.40 0.00 0.00 179.01 178.46 1rf4 n ARG 142 N -3.66 0.40 -3.63 2.33 1.74 -1.26 -4.78 116.66 107.80 1rf4 n ARG 142 Ca -0.01 0.04 -0.24 0.00 -0.77 0.00 0.00 57.85 56.87 1rf4 n ARG 142 Cb 0.42 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.40 1rf4 n ARG 142 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1rf4 n ASP 143 N -1.27 -3.31 -4.79 0.55 8.00 -0.99 -0.91 116.55 113.83 1rf4 n ASP 143 Ca 0.13 -0.87 -0.33 0.00 0.71 0.00 0.00 54.79 54.43 1rf4 n ASP 143 Cb 0.20 -4.01 0.01 0.00 -0.02 0.00 0.00 41.12 37.30 1rf4 n ASP 143 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rf4 s LEU 144 N -6.41 3.54 0.78 0.64 1.43 -0.12 -2.51 118.68 116.04 1rf4 s LEU 144 Ca 0.22 1.90 -0.11 0.00 -1.03 0.00 0.00 54.13 55.11 1rf4 s LEU 144 Cb -0.06 -4.54 0.07 0.00 0.03 0.00 0.00 46.19 41.68 1rf4 s LEU 144 CO 0.82 -1.22 1.11 -2.84 0.23 0.00 0.00 176.35 174.45 1rf4 s PRO 145 N -3.90 2.08 0.83 1.29 0.02 -1.26 -0.04 135.00 134.02 1rf4 s PRO 145 Ca 0.66 1.31 -0.11 0.00 0.02 0.00 0.00 61.00 62.88 1rf4 s PRO 145 Cb -0.18 -1.87 0.09 0.00 0.02 0.00 0.00 34.50 32.57 1rf4 s PRO 145 CO 0.35 -1.80 1.10 -1.25 -0.33 0.00 0.00 177.00 175.07 1rf4 s PRO 146 N -4.68 1.76 0.09 5.54 0.04 -1.26 -4.70 135.00 131.79 1rf4 s PRO 146 Ca 0.64 1.13 0.09 0.00 0.04 0.00 0.00 61.00 62.90 1rf4 s PRO 146 Cb -0.19 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1rf4 s PRO 146 CO 0.54 -1.98 -0.24 -0.51 0.04 0.00 0.00 177.00 174.85 1rf4 s LEU 147 N -6.12 2.26 -0.13 -3.56 1.43 0.16 -4.12 118.68 108.60 1rf4 s LEU 147 Ca 0.63 -0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1rf4 s LEU 147 Cb -0.18 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 1rf4 s LEU 147 CO 0.57 0.15 -0.13 -0.13 0.23 0.00 0.00 176.35 177.03 1rf4 s ARG 148 N -1.72 3.37 -0.01 1.70 0.52 -0.86 -0.03 118.95 121.93 1rf4 s ARG 148 Ca 0.10 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 1rf4 s ARG 148 Cb -0.10 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.75 1rf4 s ARG 148 CO 0.04 0.20 -0.01 -1.17 0.02 0.00 0.00 175.30 174.38 1rf4 s LEU 149 N 0.39 1.86 -0.14 2.53 0.20 0.12 -2.47 118.68 121.18 1rf4 s LEU 149 Ca -0.11 -0.02 -0.04 0.00 0.69 0.00 0.00 54.13 54.65 1rf4 s LEU 149 Cb -0.16 -0.09 0.05 0.00 -0.43 0.00 0.00 46.19 45.56 1rf4 s LEU 149 CO 0.05 -0.00 0.07 -0.75 -0.29 0.00 0.00 176.35 175.43 1rf4 s LYS 150 N 0.14 0.17 0.50 1.98 2.20 -0.52 0.89 119.74 125.10 1rf4 s LYS 150 Ca -0.01 -0.01 -0.08 0.00 -0.36 0.00 0.00 55.97 55.50 1rf4 s LYS 150 Cb -0.03 -1.50 0.12 0.00 -1.51 0.00 0.00 37.83 34.91 1rf4 s LYS 150 CO -0.00 -0.56 0.57 0.41 -0.36 0.00 0.00 175.35 175.41 1rf4 n GLY 151 N 5.24 -1.84 3.01 5.54 0.00 -0.15 -2.24 105.19 114.75 1rf4 n GLY 151 Ca -0.06 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 1rf4 n GLY 151 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rf4 s THR 152 N -2.17 0.01 -1.12 2.61 -4.23 -0.97 -4.54 115.64 105.23 1rf4 s THR 152 Ca 0.34 -0.08 0.15 0.00 -1.18 0.00 0.00 61.69 60.93 1rf4 s THR 152 Cb -0.02 -0.21 0.17 0.00 1.34 0.00 0.00 72.50 73.78 1rf4 s THR 152 CO 0.25 -0.04 1.48 0.29 -0.54 0.00 0.00 174.62 176.05 1rf4 n LYS 153 N 2.85 0.06 -3.11 3.99 4.76 -1.26 -3.44 118.16 122.01 1rf4 n LYS 153 Ca -0.13 0.21 -0.27 0.00 -2.87 0.00 0.00 58.31 55.25 1rf4 n LYS 153 Cb 0.59 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.22 1rf4 n LYS 153 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1rf4 n ASN 154 N -1.44 4.18 -4.74 4.39 3.02 -1.26 -5.05 115.26 114.36 1rf4 n ASN 154 Ca 0.05 -3.59 -0.41 0.00 -0.03 0.00 0.00 54.58 50.59 1rf4 n ASN 154 Cb 0.16 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.70 1rf4 n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rf4 s LEU 155 N -3.12 4.43 -0.13 3.41 1.43 -1.22 -4.87 118.68 118.61 1rf4 s LEU 155 Ca 0.46 2.32 -0.09 0.00 -1.03 0.00 0.00 54.13 55.78 1rf4 s LEU 155 Cb 0.24 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.80 1rf4 s LEU 155 CO -0.10 -0.44 0.18 -0.13 0.23 0.00 0.00 176.35 176.10 1rf4 s ARG 156 N -0.23 3.77 0.80 1.70 0.52 -0.18 -3.68 118.95 121.66 1rf4 s ARG 156 Ca 0.54 -0.07 -0.15 0.00 -0.52 0.00 0.00 55.73 55.54 1rf4 s ARG 156 Cb -0.34 -3.28 -0.00 0.00 0.52 0.00 0.00 34.95 31.85 1rf4 s ARG 156 CO 0.38 0.59 0.60 -0.35 0.02 0.00 0.00 175.30 176.54 1rf4 n PRO 157 N 2.53 0.14 -4.68 3.54 -0.04 -1.26 -4.48 135.00 130.75 1rf4 n PRO 157 Ca -0.17 0.10 -0.33 0.00 -0.04 0.00 0.00 63.50 63.05 1rf4 n PRO 157 Cb 0.54 -1.94 -0.12 0.00 -0.04 0.00 0.00 33.50 31.94 1rf4 n PRO 157 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1rf4 s ILE 158 N -2.06 3.49 -0.31 0.52 1.10 -1.26 -4.81 121.20 117.87 1rf4 s ILE 158 Ca 0.65 -0.54 0.02 0.00 -0.51 0.00 0.00 60.65 60.26 1rf4 s ILE 158 Cb -0.30 -2.44 0.09 0.00 0.15 0.00 0.00 42.46 39.96 1rf4 s ILE 158 CO 0.59 0.57 0.04 -1.00 -2.11 0.00 0.00 174.94 173.03 1rf4 s HIS 159 N -0.44 2.82 -0.04 3.50 3.76 -1.26 0.63 115.29 124.25 1rf4 s HIS 159 Ca 0.06 -2.33 -0.04 0.00 -0.15 0.00 0.00 55.06 52.61 1rf4 s HIS 159 Cb -0.12 -2.23 0.01 0.00 1.11 0.00 0.00 32.58 31.35 1rf4 s HIS 159 CO 0.02 -0.89 0.11 -0.47 -0.85 0.00 0.00 174.74 172.67 1rf4 s TYR 160 N 1.24 -0.12 -0.39 1.40 6.14 -0.56 -4.98 117.35 120.07 1rf4 s TYR 160 Ca 0.06 0.32 -0.10 0.00 0.64 0.00 0.00 57.07 58.00 1rf4 s TYR 160 Cb -0.18 0.02 0.05 0.00 0.42 0.00 0.00 41.96 42.26 1rf4 s TYR 160 CO -0.13 -0.07 0.21 -2.00 0.64 0.00 0.00 175.55 174.20 1rf4 s GLU 161 N 0.22 2.71 0.20 4.97 -6.30 -1.26 -1.20 118.70 118.04 1rf4 s GLU 161 Ca -0.01 -1.24 -0.33 0.00 -2.50 0.00 0.00 54.97 50.89 1rf4 s GLU 161 Cb -0.02 -3.71 -0.13 0.00 0.00 0.00 0.00 34.13 30.26 1rf4 s GLU 161 CO -0.01 -0.80 1.66 1.28 0.02 0.00 0.00 175.26 177.41 1rf4 n LEU 162 N 4.94 3.66 0.05 2.70 4.32 -0.45 -4.86 117.00 127.36 1rf4 n LEU 162 Ca -0.11 1.07 0.13 0.00 -0.02 0.00 0.00 56.01 57.08 1rf4 n LEU 162 Cb 0.45 -1.52 0.44 0.00 -1.62 0.00 0.00 43.42 41.17 1rf4 n LEU 162 CO 0.37 -0.01 0.80 -0.81 -1.22 0.00 0.00 177.39 176.52 1rf4 n PRO 163 N 3.63 0.14 -4.18 3.23 -0.04 -1.26 -4.04 135.00 132.49 1rf4 n PRO 163 Ca 0.16 0.10 -0.15 0.00 -0.04 0.00 0.00 63.50 63.57 1rf4 n PRO 163 Cb 0.33 -1.64 -0.11 0.00 -0.04 0.00 0.00 33.50 32.03 1rf4 n PRO 163 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1rf4 s ILE 164 N -3.06 0.97 -1.57 0.52 -4.36 -1.26 -5.01 121.20 107.43 1rf4 s ILE 164 Ca 0.11 -1.59 -0.11 0.00 -0.26 0.00 0.00 60.65 58.80 1rf4 s ILE 164 Cb 0.16 -1.31 -0.04 0.00 1.25 0.00 0.00 42.46 42.51 1rf4 s ILE 164 CO 0.60 -0.51 2.73 0.00 0.24 0.00 0.00 174.94 178.00 1rf4 n ALA 165 N 0.66 6.95 -3.14 2.27 0.00 -1.26 -4.51 120.51 121.48 1rf4 n ALA 165 Ca -0.17 -3.66 -0.36 0.00 0.00 0.00 0.00 53.44 49.26 1rf4 n ALA 165 Cb 0.57 -3.40 -0.13 0.00 0.00 0.00 0.00 19.45 16.49 1rf4 n ALA 165 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rf4 s SER 166 N 2.40 4.93 0.21 0.00 0.15 -1.26 -4.89 113.70 115.23 1rf4 s SER 166 Ca 0.63 -0.23 0.05 0.00 0.70 0.00 0.00 55.95 57.10 1rf4 s SER 166 Cb 0.17 -1.87 0.14 0.00 -1.71 0.00 0.00 66.02 62.75 1rf4 s SER 166 CO -0.07 0.00 1.48 0.00 1.20 0.00 0.00 173.24 175.86 1rf4 h ALA 167 N 7.96 0.72 -0.41 5.45 0.00 -1.90 -2.85 119.26 128.22 1rf4 h ALA 167 Ca -0.38 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 53.86 1rf4 h ALA 167 Cb 1.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1rf4 h ALA 167 CO 0.60 0.85 0.17 1.96 0.00 0.00 0.00 179.25 182.83 1rf4 h GLN 168 N 0.09 0.61 -0.48 0.00 4.20 -1.94 0.25 115.11 117.85 1rf4 h GLN 168 Ca -0.02 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 1rf4 h GLN 168 Cb 1.30 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 1rf4 h GLN 168 CO 0.11 0.56 -0.12 0.28 -0.67 0.00 0.00 178.83 178.98 1rf4 h VAL 169 N 0.52 1.26 0.10 -0.54 2.07 -1.92 -1.31 116.25 116.43 1rf4 h VAL 169 Ca 0.14 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1rf4 h VAL 169 Cb 0.17 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1rf4 h VAL 169 CO -0.01 0.43 -0.05 0.50 0.02 0.00 0.00 177.57 178.46 1rf4 h LYS 170 N 0.79 -0.13 -0.23 1.57 3.64 -1.23 -2.25 116.57 118.73 1rf4 h LYS 170 Ca 0.13 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1rf4 h LYS 170 Cb 0.65 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1rf4 h LYS 170 CO 0.05 -0.05 0.10 0.77 -2.27 0.00 0.00 179.45 178.04 1rf4 h SER 171 N -0.16 0.13 -0.69 4.20 0.02 -0.36 -0.96 113.55 115.72 1rf4 h SER 171 Ca -0.01 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1rf4 h SER 171 Cb 0.13 -0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.61 1rf4 h SER 171 CO 0.02 0.10 0.37 0.00 -1.14 0.00 0.00 176.83 176.19 1rf4 h ALA 172 N 1.13 0.93 -0.55 3.77 0.00 -1.17 -0.64 119.26 122.73 1rf4 h ALA 172 Ca 0.10 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1rf4 h ALA 172 Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1rf4 h ALA 172 CO -0.08 0.03 0.08 -0.07 0.00 0.00 0.00 179.25 179.21 1rf4 h LEU 173 N 0.67 0.83 -0.27 0.00 4.07 -1.03 -1.22 115.31 118.37 1rf4 h LEU 173 Ca 0.32 -0.18 -0.03 0.00 0.08 0.00 0.00 57.88 58.07 1rf4 h LEU 173 Cb 0.24 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1rf4 h LEU 173 CO -0.21 0.85 0.07 0.24 -1.08 0.00 0.00 178.44 178.31 1rf4 h MET 174 N 0.83 0.44 -0.61 1.13 2.86 -0.16 0.51 114.93 119.93 1rf4 h MET 174 Ca 0.17 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1rf4 h MET 174 Cb 0.38 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1rf4 h MET 174 CO 0.01 0.52 0.27 0.74 1.06 0.00 0.00 176.91 179.51 1rf4 h PHE 175 N 0.27 0.88 -0.43 -0.22 -1.00 -0.90 -1.81 116.94 113.74 1rf4 h PHE 175 Ca 0.09 -0.04 -0.12 0.00 2.81 0.00 0.00 57.97 60.71 1rf4 h PHE 175 Cb 0.28 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1rf4 h PHE 175 CO 0.01 0.66 -0.20 0.00 -1.61 0.00 0.00 178.31 177.17 1rf4 h ALA 176 N 1.42 0.84 -0.20 2.45 0.00 -0.91 -2.94 119.26 119.92 1rf4 h ALA 176 Ca 0.21 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1rf4 h ALA 176 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1rf4 h ALA 176 CO -0.02 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.85 1rf4 h ALA 177 N 1.03 1.61 0.00 0.00 0.00 -0.09 -1.48 119.26 120.32 1rf4 h ALA 177 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rf4 h ALA 177 Cb 0.73 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1rf4 h ALA 177 CO 0.06 0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.88 1rf4 n LEU 178 N -4.35 0.52 -0.00 0.00 4.32 -0.81 -2.49 117.00 114.18 1rf4 n LEU 178 Ca -0.00 0.67 0.06 0.00 -0.02 0.00 0.00 56.01 56.73 1rf4 n LEU 178 Cb 0.20 -0.65 -0.09 0.00 -1.62 0.00 0.00 43.42 41.25 1rf4 n LEU 178 CO 0.37 -0.67 -0.47 0.00 -1.22 0.00 0.00 177.39 175.40 1rf4 n GLN 179 N -2.13 1.09 -2.97 3.23 6.02 -0.58 -1.24 117.38 120.81 1rf4 n GLN 179 Ca 0.01 -0.09 -0.36 0.00 -0.01 0.00 0.00 57.00 56.55 1rf4 n GLN 179 Cb 0.14 -1.25 -0.06 0.00 1.02 0.00 0.00 30.24 30.08 1rf4 n GLN 179 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rf4 s ALA 180 N -2.71 3.32 -0.49 -1.58 0.00 -1.04 -4.66 121.76 114.60 1rf4 s ALA 180 Ca -0.02 0.31 -0.22 0.00 0.00 0.00 0.00 51.96 52.03 1rf4 s ALA 180 Cb 0.09 -2.97 0.04 0.00 0.00 0.00 0.00 23.12 20.27 1rf4 s ALA 180 CO 0.54 0.26 0.76 0.15 0.00 0.00 0.00 175.76 177.48 1rf4 s LYS 181 N -2.04 3.29 0.00 0.00 1.02 -1.24 -2.45 119.74 118.32 1rf4 s LYS 181 Ca 0.46 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 56.05 1rf4 s LYS 181 Cb -0.17 -4.02 0.00 0.00 -0.52 0.00 0.00 37.83 33.12 1rf4 s LYS 181 CO 0.22 -1.23 0.00 0.41 -0.92 0.00 0.00 175.35 173.82 1rf4 n GLY 182 N 5.08 0.92 3.65 -3.33 0.00 -0.68 -4.56 105.19 106.28 1rf4 n GLY 182 Ca -0.01 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.64 1rf4 n GLY 182 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rf4 s GLU 183 N -1.36 4.08 0.05 1.61 2.12 -1.26 -1.46 118.70 122.49 1rf4 s GLU 183 Ca 0.00 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.26 1rf4 s GLU 183 Cb 0.00 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1rf4 s GLU 183 CO 0.00 -0.05 0.10 -1.12 -0.54 0.00 0.00 175.26 173.66 1rf4 s SER 184 N 1.21 5.73 -0.15 -1.70 0.01 -0.49 -4.56 113.70 113.75 1rf4 s SER 184 Ca 0.12 0.09 -0.03 0.00 1.31 0.00 0.00 55.95 57.44 1rf4 s SER 184 Cb -0.14 -1.61 0.05 0.00 0.21 0.00 0.00 66.02 64.52 1rf4 s SER 184 CO 0.07 0.20 0.03 0.68 0.41 0.00 0.00 173.24 174.63 1rf4 s VAL 185 N -1.36 0.37 -0.23 3.43 -7.23 0.20 -1.35 120.40 114.24 1rf4 s VAL 185 Ca 0.29 -0.25 -0.04 0.00 -1.81 0.00 0.00 61.98 60.17 1rf4 s VAL 185 Cb -0.12 -0.78 -0.00 0.00 0.56 0.00 0.00 36.38 36.04 1rf4 s VAL 185 CO 0.21 -0.06 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.27 1rf4 s ILE 186 N 1.95 3.28 -0.20 -0.62 1.01 0.20 -1.49 121.20 125.33 1rf4 s ILE 186 Ca 0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 1rf4 s ILE 186 Cb -0.15 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 1rf4 s ILE 186 CO -0.07 0.39 -0.02 -0.63 0.00 0.00 0.00 174.94 174.61 1rf4 s ILE 187 N 1.45 3.79 0.42 2.92 1.01 -0.34 -0.54 121.20 129.92 1rf4 s ILE 187 Ca 0.05 -0.37 -0.22 0.00 0.00 0.00 0.00 60.65 60.11 1rf4 s ILE 187 Cb -0.15 -2.71 -0.10 0.00 0.01 0.00 0.00 42.46 39.52 1rf4 s ILE 187 CO -0.04 0.44 1.00 -1.61 0.00 0.00 0.00 174.94 174.73 1rf4 s GLU 188 N 1.01 4.14 0.03 2.79 2.02 -0.10 -1.34 118.70 127.24 1rf4 s GLU 188 Ca 0.01 1.31 -0.16 0.00 0.02 0.00 0.00 54.97 56.15 1rf4 s GLU 188 Cb -0.14 -2.32 -0.34 0.00 0.10 0.00 0.00 34.13 31.43 1rf4 s GLU 188 CO 0.01 -0.13 1.03 -0.22 0.02 0.00 0.00 175.26 175.97 1rf4 h LYS 189 N 2.12 0.56 -4.05 1.61 3.64 -1.79 -3.46 116.57 115.20 1rf4 h LYS 189 Ca -0.49 -0.88 -0.11 0.00 -1.27 0.00 0.00 60.65 57.90 1rf4 h LYS 189 Cb 1.20 0.32 -0.15 0.00 -0.41 0.00 0.00 32.23 33.19 1rf4 h LYS 189 CO 0.61 1.42 -0.56 -1.21 -2.27 0.00 0.00 179.45 177.44 1rf4 s GLU 190 N -2.71 0.68 0.08 1.90 0.41 -1.26 -5.02 118.70 112.77 1rf4 s GLU 190 Ca -0.09 -1.07 -0.31 0.00 -0.41 0.00 0.00 54.97 53.08 1rf4 s GLU 190 Cb 0.04 0.26 -0.07 0.00 -1.78 0.00 0.00 34.13 32.58 1rf4 s GLU 190 CO 0.94 -0.17 1.32 0.71 -0.49 0.00 0.00 175.26 177.57 1rf4 s TYR 191 N -3.73 3.27 0.36 1.61 1.51 -1.26 -4.88 117.35 114.23 1rf4 s TYR 191 Ca 0.05 1.07 0.07 0.00 -1.01 0.00 0.00 57.07 57.25 1rf4 s TYR 191 Cb 0.06 -3.58 -0.07 0.00 -0.11 0.00 0.00 41.96 38.26 1rf4 s TYR 191 CO -0.10 -1.95 -0.03 0.95 -1.11 0.00 0.00 175.55 173.31 1rf4 s THR 192 N 1.25 1.91 -0.09 -0.71 -4.23 -1.26 -4.66 115.64 107.85 1rf4 s THR 192 Ca 0.62 -2.09 -0.41 0.00 -1.18 0.00 0.00 61.69 58.64 1rf4 s THR 192 Cb -0.33 -2.77 -0.19 0.00 1.34 0.00 0.00 72.50 70.55 1rf4 s THR 192 CO 0.29 -0.12 1.27 -2.11 -0.54 0.00 0.00 174.62 173.41 1rf4 n ARG 193 N -0.81 0.32 -1.34 3.99 1.85 -1.26 -4.84 116.66 114.56 1rf4 n ARG 193 Ca -0.05 0.12 -0.30 0.00 -1.00 0.00 0.00 57.85 56.62 1rf4 n ARG 193 Cb 0.65 -1.66 0.10 0.00 -1.05 0.00 0.00 32.46 30.51 1rf4 n ARG 193 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1rf4 n ASN 194 N 2.42 6.27 -0.24 2.89 6.94 -1.26 -4.67 115.26 127.61 1rf4 n ASN 194 Ca 0.22 -3.75 -0.07 0.00 -0.02 0.00 0.00 54.58 50.96 1rf4 n ASN 194 Cb 0.08 -0.87 0.06 0.00 -2.36 0.00 0.00 39.78 36.69 1rf4 n ASN 194 CO 0.00 0.00 0.00 0.45 -1.03 0.00 0.00 177.26 176.68 1rf4 h HIS 195 N 1.74 1.16 -0.72 -2.53 3.86 -1.99 -2.31 115.15 114.35 1rf4 h HIS 195 Ca 0.57 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.63 1rf4 h HIS 195 Cb 1.39 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 29.50 1rf4 h HIS 195 CO 1.40 0.95 0.42 1.15 0.86 0.00 0.00 177.93 182.71 1rf4 h THR 196 N 1.04 1.21 -0.04 2.45 2.02 -1.97 0.07 112.91 117.69 1rf4 h THR 196 Ca 0.21 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1rf4 h THR 196 Cb 0.40 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1rf4 h THR 196 CO 0.01 0.22 0.02 -0.33 0.37 0.00 0.00 175.52 175.81 1rf4 h GLU 197 N 0.98 0.05 -0.16 6.66 3.07 -1.88 0.17 114.58 123.49 1rf4 h GLU 197 Ca 0.26 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.12 1rf4 h GLU 197 Cb -0.01 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 1rf4 h GLU 197 CO -0.05 0.11 0.06 -0.44 -1.40 0.00 0.00 179.01 177.30 1rf4 h ASP 198 N -0.02 0.07 0.12 1.42 3.45 -1.15 -2.73 116.42 117.59 1rf4 h ASP 198 Ca 0.01 0.01 -0.12 0.00 0.43 0.00 0.00 57.03 57.37 1rf4 h ASP 198 Cb 0.08 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 1rf4 h ASP 198 CO -0.00 0.07 -0.41 0.24 -1.57 0.00 0.00 179.24 177.57 1rf4 h MET 199 N 0.14 0.37 -0.55 3.56 2.86 -0.87 -1.26 114.93 119.18 1rf4 h MET 199 Ca 0.06 -0.18 0.07 0.00 -2.06 0.00 0.00 59.70 57.59 1rf4 h MET 199 Cb 0.03 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.63 1rf4 h MET 199 CO -0.06 0.72 0.24 1.25 1.06 0.00 0.00 176.91 180.12 1rf4 h LEU 200 N 0.31 0.31 -0.69 1.22 5.85 -0.46 0.32 115.31 122.16 1rf4 h LEU 200 Ca 0.03 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 1rf4 h LEU 200 Cb 0.85 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1rf4 h LEU 200 CO 0.07 0.20 -0.03 1.56 -0.34 0.00 0.00 178.44 179.91 1rf4 h GLN 201 N 0.46 0.98 -0.53 1.25 4.20 -1.18 0.25 115.11 120.54 1rf4 h GLN 201 Ca 0.26 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1rf4 h GLN 201 Cb 0.24 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 1rf4 h GLN 201 CO -0.22 0.98 0.23 0.37 -0.67 0.00 0.00 178.83 179.52 1rf4 h GLN 202 N 0.90 0.76 -0.86 1.46 4.15 -0.07 -2.06 115.11 119.38 1rf4 h GLN 202 Ca 0.16 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 1rf4 h GLN 202 Cb 0.56 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 1rf4 h GLN 202 CO 0.03 0.61 0.06 1.19 -1.93 0.00 0.00 178.83 178.79 1rf4 n PHE 203 N -4.35 0.98 -1.00 3.99 3.01 -0.01 -4.86 117.46 115.21 1rf4 n PHE 203 Ca 0.04 -0.47 0.00 0.00 1.01 0.00 0.00 57.45 58.03 1rf4 n PHE 203 Cb 0.14 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 1rf4 n PHE 203 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rf4 n GLY 204 N 0.17 0.49 3.95 1.37 0.00 -0.77 -1.39 105.19 109.00 1rf4 n GLY 204 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1rf4 n GLY 204 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rf4 s GLY 205 N -2.00 1.73 0.03 -0.02 0.00 0.86 -4.90 107.32 103.03 1rf4 s GLY 205 Ca 0.00 -1.18 0.02 0.00 0.00 0.00 0.00 44.72 43.57 1rf4 s GLY 205 CO 0.00 -0.67 -0.08 0.30 0.00 0.00 0.00 173.10 172.65 1rf4 s HIS 206 N -3.32 0.69 0.20 1.90 3.76 -1.26 -4.17 115.29 113.09 1rf4 s HIS 206 Ca 0.64 -0.38 -0.22 0.00 -0.15 0.00 0.00 55.06 54.95 1rf4 s HIS 206 Cb -0.08 -0.42 0.05 0.00 1.11 0.00 0.00 32.58 33.24 1rf4 s HIS 206 CO 0.46 -0.05 0.63 -0.48 -0.85 0.00 0.00 174.74 174.45 1rf4 s LEU 207 N -1.19 -0.40 -0.10 0.89 2.34 -1.26 -4.50 118.68 114.44 1rf4 s LEU 207 Ca -0.06 -0.24 0.02 0.00 0.06 0.00 0.00 54.13 53.91 1rf4 s LEU 207 Cb -0.08 2.60 0.01 0.00 -0.56 0.00 0.00 46.19 48.16 1rf4 s LEU 207 CO 0.00 -1.10 -0.16 -0.55 -1.06 0.00 0.00 176.35 173.49 1rf4 s SER 208 N -2.82 2.42 -0.20 1.48 0.15 0.32 -4.98 113.70 110.08 1rf4 s SER 208 Ca 0.05 -0.43 -0.02 0.00 0.70 0.00 0.00 55.95 56.25 1rf4 s SER 208 Cb -0.03 -1.09 -0.00 0.00 -1.71 0.00 0.00 66.02 63.19 1rf4 s SER 208 CO -0.06 0.03 -0.10 -0.69 1.20 0.00 0.00 173.24 173.63 1rf4 s VAL 209 N 0.88 2.96 -0.45 4.45 1.01 -1.26 0.23 120.40 128.23 1rf4 s VAL 209 Ca -0.09 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1rf4 s VAL 209 Cb -0.15 -2.31 0.13 0.00 0.00 0.00 0.00 36.38 34.05 1rf4 s VAL 209 CO 0.00 0.47 0.24 -0.62 0.00 0.00 0.00 175.10 175.19 1rf4 s ASP 210 N 1.26 3.75 1.39 3.32 2.15 0.68 -5.01 116.67 124.22 1rf4 s ASP 210 Ca 0.03 -2.67 0.00 0.00 0.43 0.00 0.00 52.55 50.34 1rf4 s ASP 210 Cb -0.14 -1.12 0.00 0.00 -0.30 0.00 0.00 42.92 41.35 1rf4 s ASP 210 CO -0.05 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 1rf4 n GLY 211 N 3.49 1.61 0.15 2.66 0.00 -1.26 -1.82 105.19 110.03 1rf4 n GLY 211 Ca 0.08 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 45.78 1rf4 n GLY 211 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rf4 n LYS 212 N 12.80 0.80 -3.15 1.61 5.02 -1.26 -4.81 118.16 129.17 1rf4 n LYS 212 Ca 0.00 -0.29 -0.40 0.00 -2.02 0.00 0.00 58.31 55.60 1rf4 n LYS 212 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 1rf4 n LYS 212 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1rf4 s LYS 213 N -2.40 4.17 -0.21 1.97 2.36 -0.75 -0.93 119.74 123.95 1rf4 s LYS 213 Ca 0.31 0.54 -0.02 0.00 -2.55 0.00 0.00 55.97 54.25 1rf4 s LYS 213 Cb 0.20 -3.60 0.00 0.00 -1.05 0.00 0.00 37.83 33.39 1rf4 s LYS 213 CO 0.46 -0.28 -0.11 0.42 1.55 0.00 0.00 175.35 177.39 1rf4 s ILE 214 N 2.05 2.82 -0.21 5.43 1.01 0.30 -0.23 121.20 132.36 1rf4 s ILE 214 Ca 0.27 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 1rf4 s ILE 214 Cb -0.16 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1rf4 s ILE 214 CO 0.10 0.46 0.05 -0.89 0.00 0.00 0.00 174.94 174.66 1rf4 s THR 215 N 1.40 4.46 -0.14 2.92 2.01 0.14 -0.63 115.64 125.79 1rf4 s THR 215 Ca 0.05 -0.14 -0.00 0.00 0.31 0.00 0.00 61.69 61.91 1rf4 s THR 215 Cb -0.14 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 69.36 1rf4 s THR 215 CO -0.07 0.40 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.48 1rf4 s VAL 216 N 0.97 1.25 0.11 3.82 1.01 -0.46 -0.53 120.40 126.58 1rf4 s VAL 216 Ca 0.03 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.31 1rf4 s VAL 216 Cb -0.14 -1.28 -0.07 0.00 0.00 0.00 0.00 36.38 34.89 1rf4 s VAL 216 CO 0.03 0.33 0.59 -1.58 0.00 0.00 0.00 175.10 174.47 1rf4 s GLN 217 N 1.60 4.19 0.14 2.72 2.00 -1.26 -1.39 119.66 127.66 1rf4 s GLN 217 Ca 0.04 0.73 0.03 0.00 -2.00 0.00 0.00 55.36 54.16 1rf4 s GLN 217 Cb -0.13 -3.15 -0.04 0.00 0.80 0.00 0.00 33.01 30.48 1rf4 s GLN 217 CO -0.09 0.58 -0.07 0.20 -0.50 0.00 0.00 175.29 175.42 1rf4 s GLY 218 N -1.28 1.02 0.40 2.59 0.00 -0.53 -4.48 107.32 105.04 1rf4 s GLY 218 Ca 0.32 -1.48 -0.13 0.00 0.00 0.00 0.00 44.72 43.43 1rf4 s GLY 218 CO 0.20 -1.54 0.81 -4.14 0.00 0.00 0.00 173.10 168.43 1rf4 s PRO 219 N -3.81 3.89 0.25 2.90 0.02 -1.03 -1.69 135.00 135.55 1rf4 s PRO 219 Ca 0.17 0.65 0.12 0.00 0.02 0.00 0.00 61.00 61.95 1rf4 s PRO 219 Cb 0.04 -2.34 -0.05 0.00 0.02 0.00 0.00 34.50 32.17 1rf4 s PRO 219 CO -0.00 -0.03 -0.21 -0.65 -0.33 0.00 0.00 177.00 175.79 1rf4 s GLN 220 N -3.62 1.65 -0.08 5.54 -0.21 -0.37 -5.00 119.66 117.58 1rf4 s GLN 220 Ca 0.54 -1.69 0.03 0.00 0.02 0.00 0.00 55.36 54.26 1rf4 s GLN 220 Cb -0.10 -1.80 -0.02 0.00 1.00 0.00 0.00 33.01 32.09 1rf4 s GLN 220 CO 0.26 0.35 -0.18 0.21 -2.12 0.00 0.00 175.29 173.82 1rf4 s LYS 221 N -3.28 2.83 0.28 2.91 2.20 -1.26 -4.91 119.74 118.51 1rf4 s LYS 221 Ca 0.27 -0.76 0.10 0.00 -0.36 0.00 0.00 55.97 55.22 1rf4 s LYS 221 Cb -0.06 -2.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.83 1rf4 s LYS 221 CO 0.14 0.40 -0.01 -0.51 -0.36 0.00 0.00 175.35 175.00 1rf4 s LEU 222 N -0.16 3.11 -0.04 5.43 1.43 -1.26 -4.68 118.68 122.51 1rf4 s LEU 222 Ca -0.02 -0.74 0.06 0.00 -1.03 0.00 0.00 54.13 52.41 1rf4 s LEU 222 Cb -0.14 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 1rf4 s LEU 222 CO 0.04 -0.05 -0.23 -0.89 0.23 0.00 0.00 176.35 175.45 1rf4 s THR 223 N -2.38 1.84 0.42 5.49 2.01 -0.49 -0.57 115.64 121.97 1rf4 s THR 223 Ca 0.32 -0.97 -0.25 0.00 0.31 0.00 0.00 61.69 61.10 1rf4 s THR 223 Cb -0.05 -1.55 -0.10 0.00 0.01 0.00 0.00 72.50 70.81 1rf4 s THR 223 CO 0.20 0.52 1.15 0.61 -0.69 0.00 0.00 174.62 176.40 1rf4 n GLY 224 N 2.78 0.18 3.37 4.40 0.00 0.27 -4.64 105.19 111.56 1rf4 n GLY 224 Ca -0.17 0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1rf4 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rf4 s GLN 225 N -2.13 1.56 -0.27 1.61 -1.52 -1.24 -4.85 119.66 112.83 1rf4 s GLN 225 Ca 0.62 -1.87 -0.12 0.00 -1.95 0.00 0.00 55.36 52.04 1rf4 s GLN 225 Cb -0.53 -0.40 -0.05 0.00 -0.22 0.00 0.00 33.01 31.81 1rf4 s GLN 225 CO 0.57 -0.32 0.22 0.21 -0.25 0.00 0.00 175.29 175.71 1rf4 s LYS 226 N -3.92 3.99 -0.19 2.91 2.20 -1.26 -1.62 119.74 121.84 1rf4 s LYS 226 Ca 0.36 -0.24 -0.02 0.00 -0.36 0.00 0.00 55.97 55.70 1rf4 s LYS 226 Cb 0.07 -3.63 -0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1rf4 s LYS 226 CO 0.15 -0.14 -0.09 0.08 -0.36 0.00 0.00 175.35 174.99 1rf4 s VAL 227 N 1.64 3.04 -0.31 4.02 1.01 0.15 -4.97 120.40 124.97 1rf4 s VAL 227 Ca 0.09 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 1rf4 s VAL 227 Cb -0.15 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 33.91 1rf4 s VAL 227 CO 0.09 0.47 0.07 0.68 0.00 0.00 0.00 175.10 176.42 1rf4 s VAL 228 N 1.19 3.73 -0.14 2.92 -7.23 -1.26 0.08 120.40 119.69 1rf4 s VAL 228 Ca 0.02 -0.97 -0.26 0.00 -1.81 0.00 0.00 61.98 58.96 1rf4 s VAL 228 Cb -0.14 -3.02 -0.02 0.00 0.56 0.00 0.00 36.38 33.76 1rf4 s VAL 228 CO -0.03 -0.04 0.85 -0.69 -0.31 0.00 0.00 175.10 174.87 1rf4 s VAL 229 N 1.42 4.89 0.72 1.32 1.01 -0.60 -4.97 120.40 124.20 1rf4 s VAL 229 Ca -0.00 1.69 -0.11 0.00 0.00 0.00 0.00 61.98 63.55 1rf4 s VAL 229 Cb -0.18 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.06 1rf4 s VAL 229 CO 0.02 0.06 1.10 -2.16 0.00 0.00 0.00 175.10 174.12 1rf4 s PRO 230 N 1.88 2.71 0.68 2.72 0.04 -1.26 -4.77 135.00 136.99 1rf4 s PRO 230 Ca 0.40 0.46 -0.17 0.00 0.04 0.00 0.00 61.00 61.74 1rf4 s PRO 230 Cb -0.17 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1rf4 s PRO 230 CO 0.15 -1.14 1.24 0.20 0.04 0.00 0.00 177.00 177.48 1rf4 s GLY 231 N -4.31 2.59 -0.21 0.56 0.00 0.93 -1.17 107.32 105.71 1rf4 s GLY 231 Ca 0.59 1.02 -0.23 0.00 0.00 0.00 0.00 44.72 46.09 1rf4 s GLY 231 CO 0.52 1.43 0.75 -0.35 0.00 0.00 0.00 173.10 175.45 1rf4 s ASP 232 N -1.74 6.80 0.36 1.64 3.68 -0.38 0.28 116.67 127.31 1rf4 s ASP 232 Ca 0.78 0.98 0.05 0.00 2.13 0.00 0.00 52.55 56.49 1rf4 s ASP 232 Cb -0.32 -2.41 0.68 0.00 -1.45 0.00 0.00 42.92 39.42 1rf4 s ASP 232 CO 0.41 -0.40 1.95 0.40 0.13 0.00 0.00 175.17 177.67 1rf4 h ILE 233 N 5.29 1.16 0.00 4.11 5.03 -1.92 -0.37 117.51 130.81 1rf4 h ILE 233 Ca -0.28 -0.52 -0.05 0.00 -0.12 0.00 0.00 64.86 63.89 1rf4 h ILE 233 Cb 1.12 0.69 -0.01 0.00 -3.03 0.00 0.00 36.82 35.59 1rf4 h ILE 233 CO 0.82 0.20 -0.25 0.28 -0.68 0.00 0.00 178.15 178.53 1rf4 h SER 234 N 0.59 0.00 0.20 1.72 0.02 -1.91 0.31 113.55 114.47 1rf4 h SER 234 Ca 0.14 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.75 1rf4 h SER 234 Cb 0.14 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.69 1rf4 h SER 234 CO -0.01 0.25 -1.69 0.28 -1.14 0.00 0.00 176.83 174.52 1rf4 h SER 235 N 0.00 0.65 0.24 3.07 0.02 -1.74 -3.30 113.55 112.49 1rf4 h SER 235 Ca -0.00 -0.93 -0.03 0.00 -0.84 0.00 0.00 61.79 59.98 1rf4 h SER 235 Cb 0.45 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1rf4 h SER 235 CO 0.03 1.77 -0.15 0.00 -1.14 0.00 0.00 176.83 177.34 1rf4 h ALA 236 N 0.11 1.53 -0.57 3.77 0.00 -0.76 -2.71 119.26 120.63 1rf4 h ALA 236 Ca -0.33 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.59 1rf4 h ALA 236 Cb 2.09 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.83 1rf4 h ALA 236 CO 0.19 0.19 0.40 0.00 0.00 0.00 0.00 179.25 180.03 1rf4 h ALA 237 N 1.85 2.37 -0.21 0.00 0.00 -0.45 -0.42 119.26 122.39 1rf4 h ALA 237 Ca -0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1rf4 h ALA 237 Cb 0.31 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1rf4 h ALA 237 CO 0.02 -0.53 -0.45 0.74 0.00 0.00 0.00 179.25 179.03 1rf4 h PHE 238 N 0.12 0.64 0.00 0.00 -1.00 -1.66 -2.50 116.94 112.54 1rf4 h PHE 238 Ca 0.27 -0.20 -0.21 0.00 2.81 0.00 0.00 57.97 60.64 1rf4 h PHE 238 Cb 0.92 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 40.31 1rf4 h PHE 238 CO -0.00 0.89 -1.03 -1.49 -1.61 0.00 0.00 178.31 175.07 1rf4 h TRP 239 N 0.43 0.00 0.23 -0.55 -0.00 -1.43 -2.16 115.95 112.46 1rf4 h TRP 239 Ca 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.91 1rf4 h TRP 239 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.12 1rf4 h TRP 239 CO 0.04 0.97 -0.11 -0.07 -0.00 0.00 0.00 178.44 179.27 1rf4 h LEU 240 N 0.00 -0.26 -0.79 -4.49 3.38 -1.01 0.21 115.31 112.35 1rf4 h LEU 240 Ca -0.03 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1rf4 h LEU 240 Cb 1.77 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 1rf4 h LEU 240 CO 0.12 -0.19 -0.01 0.58 0.09 0.00 0.00 178.44 179.04 1rf4 h VAL 241 N -0.31 1.26 -0.52 1.22 2.07 -1.52 -2.70 116.25 115.75 1rf4 h VAL 241 Ca -0.03 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 1rf4 h VAL 241 Cb 0.24 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1rf4 h VAL 241 CO 0.05 0.39 0.20 0.00 0.02 0.00 0.00 177.57 178.23 1rf4 h ALA 242 N 1.14 0.68 0.00 1.67 0.00 -1.12 0.87 119.26 122.50 1rf4 h ALA 242 Ca 0.16 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1rf4 h ALA 242 Cb 0.51 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1rf4 h ALA 242 CO 0.03 0.30 -0.34 0.78 0.00 0.00 0.00 179.25 180.01 1rf4 h GLY 243 N 0.70 0.00 1.48 0.00 0.00 -0.85 -0.23 103.07 104.17 1rf4 h GLY 243 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.21 1rf4 h GLY 243 CO -0.01 0.00 -1.35 1.41 0.00 0.00 0.00 176.54 176.59 1rf4 h LEU 244 N 0.00 0.53 0.14 3.11 3.38 -1.18 -0.82 115.31 120.47 1rf4 h LEU 244 Ca -0.00 -0.59 -0.32 0.00 0.09 0.00 0.00 57.88 57.06 1rf4 h LEU 244 Cb 0.63 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1rf4 h LEU 244 CO 0.04 1.47 -1.58 0.40 0.09 0.00 0.00 178.44 178.87 1rf4 h ILE 245 N 0.09 1.12 -4.05 1.22 5.03 -0.65 -1.41 117.51 118.86 1rf4 h ILE 245 Ca -0.18 -2.73 -0.49 0.00 -0.12 0.00 0.00 64.86 61.34 1rf4 h ILE 245 Cb 2.03 2.78 0.03 0.00 -3.03 0.00 0.00 36.82 38.64 1rf4 h ILE 245 CO 0.22 0.83 0.30 0.00 -0.68 0.00 0.00 178.15 178.81 1rf4 s ALA 246 N -2.61 3.19 0.50 1.87 0.00 -0.11 -4.96 121.76 119.65 1rf4 s ALA 246 Ca -0.11 -0.11 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 1rf4 s ALA 246 Cb 0.06 -2.94 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 1rf4 s ALA 246 CO 0.86 -0.38 1.04 -1.25 0.00 0.00 0.00 175.76 176.04 1rf4 s PRO 247 N -4.54 3.71 -1.44 0.00 0.04 -1.26 -4.07 135.00 127.44 1rf4 s PRO 247 Ca 0.54 1.34 -0.10 0.00 0.04 0.00 0.00 61.00 62.83 1rf4 s PRO 247 Cb -0.10 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1rf4 s PRO 247 CO 0.42 -0.50 0.24 0.09 0.04 0.00 0.00 177.00 177.29 1rf4 n ASN 248 N -1.15 -0.65 -4.38 6.66 3.02 -1.26 -3.78 115.26 113.72 1rf4 n ASN 248 Ca 0.09 -1.25 -0.29 0.00 -0.03 0.00 0.00 54.58 53.10 1rf4 n ASN 248 Cb 0.52 -1.83 -0.13 0.00 -0.61 0.00 0.00 39.78 37.73 1rf4 n ASN 248 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1rf4 s SER 249 N -4.14 3.29 -0.27 6.41 0.01 -1.26 -3.68 113.70 114.07 1rf4 s SER 249 Ca 0.14 -0.71 -0.02 0.00 1.31 0.00 0.00 55.95 56.67 1rf4 s SER 249 Cb -0.07 -0.24 0.16 0.00 0.21 0.00 0.00 66.02 66.07 1rf4 s SER 249 CO 0.98 0.20 0.46 -0.60 0.41 0.00 0.00 173.24 174.69 1rf4 s ARG 250 N -1.86 0.43 0.02 12.44 3.52 -0.19 -1.97 118.95 131.35 1rf4 s ARG 250 Ca 0.13 0.68 0.06 0.00 -0.13 0.00 0.00 55.73 56.47 1rf4 s ARG 250 Cb -0.10 -0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.16 1rf4 s ARG 250 CO 0.05 -0.66 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.22 1rf4 s LEU 251 N 2.66 2.73 -0.22 -0.88 1.43 -0.29 -3.49 118.68 120.62 1rf4 s LEU 251 Ca 0.15 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1rf4 s LEU 251 Cb -0.15 -1.59 0.04 0.00 0.03 0.00 0.00 46.19 44.53 1rf4 s LEU 251 CO -0.18 0.27 -0.13 0.54 0.23 0.00 0.00 176.35 177.08 1rf4 s VAL 252 N -0.91 1.99 -0.38 -1.59 0.11 -0.91 -1.22 120.40 117.50 1rf4 s VAL 252 Ca 0.15 -1.27 -0.11 0.00 -2.93 0.00 0.00 61.98 57.82 1rf4 s VAL 252 Cb -0.11 -2.01 0.03 0.00 -1.53 0.00 0.00 36.38 32.77 1rf4 s VAL 252 CO 0.05 0.19 0.22 -0.76 -3.33 0.00 0.00 175.10 171.46 1rf4 s LEU 253 N 1.24 4.76 0.38 2.54 2.01 0.72 -1.15 118.68 129.18 1rf4 s LEU 253 Ca -0.03 -0.99 -0.03 0.00 0.01 0.00 0.00 54.13 53.10 1rf4 s LEU 253 Cb -0.17 -2.04 -0.04 0.00 0.01 0.00 0.00 46.19 43.95 1rf4 s LEU 253 CO -0.08 -0.39 0.63 -1.10 1.01 0.00 0.00 176.35 176.41 1rf4 s GLN 254 N 1.57 3.54 -1.40 1.70 -0.21 -0.56 -0.54 119.66 123.76 1rf4 s GLN 254 Ca 0.02 -0.08 -0.01 0.00 0.02 0.00 0.00 55.36 55.31 1rf4 s GLN 254 Cb -0.19 -2.57 0.01 0.00 1.00 0.00 0.00 33.01 31.26 1rf4 s GLN 254 CO 0.07 0.05 0.48 -1.71 -2.12 0.00 0.00 175.29 172.07 1rf4 n ASN 255 N -1.74 -0.58 -4.74 5.90 5.15 -1.21 -4.25 115.26 113.80 1rf4 n ASN 255 Ca -0.02 -0.97 -0.35 0.00 -0.60 0.00 0.00 54.58 52.63 1rf4 n ASN 255 Cb 0.55 -3.24 -0.08 0.00 -0.53 0.00 0.00 39.78 36.48 1rf4 n ASN 255 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1rf4 s VAL 256 N -3.88 5.40 0.25 3.44 -7.23 -0.51 -0.05 120.40 117.82 1rf4 s VAL 256 Ca 0.03 0.26 -0.31 0.00 -1.81 0.00 0.00 61.98 60.15 1rf4 s VAL 256 Cb -0.01 -3.50 -0.13 0.00 0.56 0.00 0.00 36.38 33.30 1rf4 s VAL 256 CO 0.87 0.44 1.36 0.61 -0.31 0.00 0.00 175.10 178.08 1rf4 n GLY 257 N 3.40 0.67 0.24 2.32 0.00 0.14 -1.83 105.19 110.14 1rf4 n GLY 257 Ca -0.15 0.47 0.08 0.00 0.00 0.00 0.00 46.02 46.41 1rf4 n GLY 257 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1rf4 n ILE 258 N 1.60 1.58 -1.63 -0.61 0.13 0.29 -4.46 119.36 116.27 1rf4 n ILE 258 Ca 0.11 -2.00 -0.50 0.00 -1.10 0.00 0.00 62.75 59.26 1rf4 n ILE 258 Cb 0.32 -0.09 -0.05 0.00 -0.84 0.00 0.00 39.64 38.97 1rf4 n ILE 258 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1rf4 n ASN 259 N -1.12 2.24 0.19 9.51 2.85 -1.25 -4.81 115.26 122.87 1rf4 n ASN 259 Ca 0.14 1.10 0.18 0.00 -0.11 0.00 0.00 54.58 55.89 1rf4 n ASN 259 Cb 0.67 -1.28 0.81 0.00 1.24 0.00 0.00 39.78 41.22 1rf4 n ASN 259 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1rf4 h GLU 260 N 5.31 0.00 -0.01 1.20 9.09 -1.97 0.43 114.58 128.62 1rf4 h GLU 260 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 1rf4 h GLU 260 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 1rf4 h GLU 260 CO 0.83 0.00 0.00 0.25 0.05 0.00 0.00 179.01 180.14 1rf4 n THR 261 N -3.52 0.01 -0.35 -1.06 -2.24 -1.26 -3.68 114.28 102.18 1rf4 n THR 261 Ca 0.03 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1rf4 n THR 261 Cb 0.45 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1rf4 n THR 261 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rf4 n ARG 262 N -0.47 0.20 -0.99 -0.78 5.12 0.12 -4.19 116.66 115.67 1rf4 n ARG 262 Ca 0.21 -0.60 -0.15 0.00 -1.93 0.00 0.00 57.85 55.38 1rf4 n ARG 262 Cb 0.21 -0.83 0.19 0.00 -1.16 0.00 0.00 32.46 30.88 1rf4 n ARG 262 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1rf4 n THR 263 N -0.11 2.78 -0.25 0.55 -2.24 -1.11 -4.62 114.28 109.29 1rf4 n THR 263 Ca 0.00 -1.55 0.02 0.00 -2.27 0.00 0.00 64.05 60.25 1rf4 n THR 263 Cb 0.17 -0.50 0.14 0.00 -2.10 0.00 0.00 70.33 68.04 1rf4 n THR 263 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1rf4 h GLY 264 N 2.00 1.08 1.64 3.38 0.00 -1.60 -2.05 103.07 107.51 1rf4 h GLY 264 Ca 0.43 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.58 1rf4 h GLY 264 CO 0.84 0.05 0.17 1.19 0.00 0.00 0.00 176.54 178.79 1rf4 h ILE 265 N 0.60 0.99 -0.65 2.60 2.10 -1.82 -1.54 117.51 119.78 1rf4 h ILE 265 Ca 0.36 -0.07 -0.01 0.00 1.08 0.00 0.00 64.86 66.21 1rf4 h ILE 265 Cb 0.39 0.75 -0.03 0.00 -1.09 0.00 0.00 36.82 36.84 1rf4 h ILE 265 CO -0.28 0.04 0.37 0.40 -1.08 0.00 0.00 178.15 177.60 1rf4 h ILE 266 N 0.21 1.20 -0.37 2.19 2.04 -1.73 0.10 117.51 121.15 1rf4 h ILE 266 Ca 0.11 -0.48 -0.10 0.00 1.00 0.00 0.00 64.86 65.39 1rf4 h ILE 266 Cb 0.16 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1rf4 h ILE 266 CO -0.02 0.21 -0.18 0.44 0.00 0.00 0.00 178.15 178.61 1rf4 h ASP 267 N 0.89 0.68 -0.30 1.72 3.32 -1.32 -1.32 116.42 120.09 1rf4 h ASP 267 Ca 0.23 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1rf4 h ASP 267 Cb 0.01 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1rf4 h ASP 267 CO -0.04 0.86 -0.02 0.58 -1.72 0.00 0.00 179.24 178.91 1rf4 h VAL 268 N 0.61 1.26 -0.52 -1.35 2.07 -0.97 0.63 116.25 117.98 1rf4 h VAL 268 Ca 0.10 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.66 1rf4 h VAL 268 Cb 0.64 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1rf4 h VAL 268 CO 0.05 0.32 0.31 0.40 0.02 0.00 0.00 177.57 178.66 1rf4 h ILE 269 N 0.32 1.05 -0.26 4.57 2.04 -0.59 0.11 117.51 124.75 1rf4 h ILE 269 Ca 0.08 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1rf4 h ILE 269 Cb 0.46 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1rf4 h ILE 269 CO 0.02 0.11 0.16 0.03 0.00 0.00 0.00 178.15 178.47 1rf4 h ARG 270 N 0.62 0.35 -0.90 2.37 -0.00 -1.07 0.00 114.38 115.76 1rf4 h ARG 270 Ca 0.21 -0.03 0.08 0.00 -0.50 0.00 0.00 59.98 59.74 1rf4 h ARG 270 Cb 0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 29.97 29.85 1rf4 h ARG 270 CO -0.10 0.27 0.55 0.00 0.00 0.00 0.00 179.97 180.70 1rf4 h ALA 271 N 1.06 1.26 0.00 0.04 0.00 -0.10 -1.19 119.26 120.33 1rf4 h ALA 271 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rf4 h ALA 271 Cb 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1rf4 h ALA 271 CO -0.02 0.27 0.00 -1.33 0.00 0.00 0.00 179.25 178.17 1rf4 n MET 272 N -4.62 0.47 -0.97 0.00 2.81 0.31 -4.88 117.12 110.24 1rf4 n MET 272 Ca 0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1rf4 n MET 272 Cb 0.22 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 1rf4 n MET 272 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf4 n GLY 273 N 1.24 0.52 3.80 3.03 0.00 -0.45 -1.14 105.19 112.18 1rf4 n GLY 273 Ca 0.15 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1rf4 n GLY 273 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rf4 s GLY 274 N -2.82 2.34 -0.46 -0.02 0.00 -0.08 -4.72 107.32 101.55 1rf4 s GLY 274 Ca 0.00 0.51 -0.23 0.00 0.00 0.00 0.00 44.72 44.99 1rf4 s GLY 274 CO 0.00 0.83 0.82 0.54 0.00 0.00 0.00 173.10 175.28 1rf4 s LYS 275 N -3.61 3.41 -0.03 2.90 1.02 -1.26 -4.67 119.74 117.50 1rf4 s LYS 275 Ca 0.66 -0.10 0.01 0.00 0.02 0.00 0.00 55.97 56.56 1rf4 s LYS 275 Cb -0.16 -3.95 0.02 0.00 -0.52 0.00 0.00 37.83 33.21 1rf4 s LYS 275 CO 0.27 -1.17 -0.04 -1.17 -0.92 0.00 0.00 175.35 172.33 1rf4 s LEU 276 N 3.40 1.47 -0.03 3.17 2.96 -1.26 -2.70 118.68 125.69 1rf4 s LEU 276 Ca 0.31 -0.10 0.07 0.00 -0.22 0.00 0.00 54.13 54.19 1rf4 s LEU 276 Cb -0.12 -0.35 -0.02 0.00 0.50 0.00 0.00 46.19 46.20 1rf4 s LEU 276 CO 0.23 -0.03 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.28 1rf4 s GLU 277 N 0.66 2.15 -0.17 1.98 2.12 0.45 -4.96 118.70 120.92 1rf4 s GLU 277 Ca -0.08 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.38 1rf4 s GLU 277 Cb -0.11 -1.98 0.01 0.00 0.26 0.00 0.00 34.13 32.30 1rf4 s GLU 277 CO -0.00 0.47 -0.16 0.42 -0.54 0.00 0.00 175.26 175.45 1rf4 s ILE 278 N -0.43 2.45 0.22 -3.70 1.01 -1.26 -0.48 121.20 119.00 1rf4 s ILE 278 Ca 0.05 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.93 1rf4 s ILE 278 Cb -0.11 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 1rf4 s ILE 278 CO 0.01 0.52 0.19 0.35 0.00 0.00 0.00 174.94 176.00 1rf4 n THR 279 N 4.38 0.00 -4.13 2.92 -2.24 -0.61 -4.90 114.28 109.70 1rf4 n THR 279 Ca -0.20 -1.58 -0.31 0.00 -2.27 0.00 0.00 64.05 59.70 1rf4 n THR 279 Cb 0.51 0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 69.49 1rf4 n THR 279 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rf4 n GLU 280 N -0.41 -2.68 -2.22 -0.78 -0.58 -1.26 -0.86 120.64 111.84 1rf4 n GLU 280 Ca 0.05 0.32 -0.42 0.00 -0.42 0.00 0.00 57.16 56.69 1rf4 n GLU 280 Cb 0.39 -4.53 -0.03 0.00 -0.57 0.00 0.00 31.44 26.71 1rf4 n GLU 280 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1rf4 s ILE 281 N -3.81 3.86 -0.50 -3.67 1.01 -1.26 -4.20 121.20 112.63 1rf4 s ILE 281 Ca 0.27 1.12 -0.13 0.00 0.00 0.00 0.00 60.65 61.90 1rf4 s ILE 281 Cb -0.15 -3.72 0.11 0.00 0.01 0.00 0.00 42.46 38.71 1rf4 s ILE 281 CO 0.93 -0.06 0.42 -0.62 0.00 0.00 0.00 174.94 175.61 1rf4 s ASP 282 N 2.35 6.00 0.13 3.58 -1.08 0.57 -4.92 116.67 123.29 1rf4 s ASP 282 Ca 0.64 -1.73 0.14 0.00 -0.52 0.00 0.00 52.55 51.07 1rf4 s ASP 282 Cb -0.29 -2.13 0.65 0.00 -1.46 0.00 0.00 42.92 39.69 1rf4 s ASP 282 CO 0.24 -0.75 1.43 -0.81 0.52 0.00 0.00 175.17 175.79 1rf4 n PRO 283 N 5.12 0.07 0.00 4.34 -0.04 -1.26 -1.48 135.00 141.75 1rf4 n PRO 283 Ca -0.12 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1rf4 n PRO 283 Cb 0.41 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 1rf4 n PRO 283 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1rf4 n VAL 284 N -1.84 0.00 1.27 0.52 0.31 -1.26 -4.21 118.33 113.12 1rf4 n VAL 284 Ca 0.01 0.49 0.00 0.00 -0.01 0.00 0.00 64.34 64.83 1rf4 n VAL 284 Cb 0.10 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 1rf4 n VAL 284 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rf4 n ALA 285 N -2.12 2.15 -3.97 3.52 0.00 -1.23 -4.87 120.51 113.99 1rf4 n ALA 285 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1rf4 n ALA 285 Cb 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.46 1rf4 n ALA 285 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1rf4 n LYS 286 N -0.43 -0.57 -4.05 0.00 5.02 -0.55 -4.74 118.16 112.83 1rf4 n LYS 286 Ca 0.00 0.20 -0.10 0.00 -2.02 0.00 0.00 58.31 56.39 1rf4 n LYS 286 Cb 0.02 -2.15 -0.08 0.00 -0.02 0.00 0.00 35.03 32.80 1rf4 n LYS 286 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1rf4 s SER 287 N -3.44 0.11 0.21 4.39 1.04 -1.02 0.10 113.70 115.10 1rf4 s SER 287 Ca 0.34 -1.05 -0.22 0.00 0.48 0.00 0.00 55.95 55.49 1rf4 s SER 287 Cb -0.19 0.41 0.07 0.00 0.10 0.00 0.00 66.02 66.41 1rf4 s SER 287 CO 0.89 -0.87 0.99 0.00 0.98 0.00 0.00 173.24 175.22 1rf4 s ALA 288 N -4.03 -1.48 -0.17 5.32 0.00 -0.76 -0.32 121.76 120.32 1rf4 s ALA 288 Ca 0.23 -0.30 -0.06 0.00 0.00 0.00 0.00 51.96 51.83 1rf4 s ALA 288 Cb 0.04 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1rf4 s ALA 288 CO 0.04 -1.05 0.04 0.95 0.00 0.00 0.00 175.76 175.73 1rf4 s THR 289 N -2.42 4.55 -0.20 0.00 -4.23 -0.04 -1.42 115.64 111.88 1rf4 s THR 289 Ca 0.19 -0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 60.51 1rf4 s THR 289 Cb -0.03 -3.04 -0.03 0.00 1.34 0.00 0.00 72.50 70.74 1rf4 s THR 289 CO 0.06 0.47 0.05 -0.76 -0.54 0.00 0.00 174.62 173.89 1rf4 s LEU 290 N 0.35 3.57 -0.12 4.79 1.02 0.30 -1.57 118.68 127.02 1rf4 s LEU 290 Ca 0.01 -0.07 0.02 0.00 0.02 0.00 0.00 54.13 54.11 1rf4 s LEU 290 Cb -0.13 -1.92 -0.01 0.00 0.02 0.00 0.00 46.19 44.16 1rf4 s LEU 290 CO 0.01 0.09 -0.18 -0.63 0.02 0.00 0.00 176.35 175.66 1rf4 s ILE 291 N 0.85 2.59 0.12 -0.59 1.01 0.36 -0.20 121.20 125.35 1rf4 s ILE 291 Ca 0.03 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 59.92 1rf4 s ILE 291 Cb -0.14 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1rf4 s ILE 291 CO 0.02 0.54 -0.17 -0.69 0.00 0.00 0.00 174.94 174.64 1rf4 s VAL 292 N 0.33 1.52 0.02 2.92 1.01 -0.36 -0.41 120.40 125.43 1rf4 s VAL 292 Ca -0.14 -1.64 -0.02 0.00 0.00 0.00 0.00 61.98 60.17 1rf4 s VAL 292 Cb -0.17 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 1rf4 s VAL 292 CO 0.07 -0.25 0.02 -1.61 0.00 0.00 0.00 175.10 173.33 1rf4 s GLU 293 N -2.30 0.37 0.02 2.72 2.02 -1.10 -1.14 118.70 119.29 1rf4 s GLU 293 Ca 0.08 -0.55 -0.39 0.00 0.02 0.00 0.00 54.97 54.13 1rf4 s GLU 293 Cb -0.08 0.14 -0.18 0.00 0.10 0.00 0.00 34.13 34.11 1rf4 s GLU 293 CO 0.04 -0.07 1.24 0.43 0.02 0.00 0.00 175.26 176.92 1rf4 n SER 294 N 1.54 0.91 -4.05 -0.19 7.64 -0.31 -4.26 113.62 114.89 1rf4 n SER 294 Ca -0.24 1.14 -0.08 0.00 1.01 0.00 0.00 58.87 60.71 1rf4 n SER 294 Cb 0.55 -1.06 -0.10 0.00 -1.01 0.00 0.00 64.21 62.60 1rf4 n SER 294 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1rf4 s SER 295 N 0.43 0.41 -0.36 6.43 0.01 -0.53 -4.85 113.70 115.24 1rf4 s SER 295 Ca 0.88 -0.88 -0.16 0.00 1.31 0.00 0.00 55.95 57.10 1rf4 s SER 295 Cb -1.12 0.20 -0.00 0.00 0.21 0.00 0.00 66.02 65.31 1rf4 s SER 295 CO 0.53 -0.57 0.42 -1.81 0.41 0.00 0.00 173.24 172.23 1rf4 s ASP 296 N -2.68 6.23 0.35 2.44 -0.00 -1.26 -4.79 116.67 116.95 1rf4 s ASP 296 Ca 0.03 -0.23 0.03 0.00 -0.00 0.00 0.00 52.55 52.38 1rf4 s ASP 296 Cb 0.05 -2.22 -0.02 0.00 -0.00 0.00 0.00 42.92 40.73 1rf4 s ASP 296 CO -0.09 -0.42 0.53 -0.76 -0.00 0.00 0.00 175.17 174.43 1rf4 s LEU 297 N 2.16 3.96 -0.01 1.23 2.01 -1.26 -4.74 118.68 122.03 1rf4 s LEU 297 Ca 0.14 0.18 0.04 0.00 0.01 0.00 0.00 54.13 54.50 1rf4 s LEU 297 Cb -0.16 -3.05 -0.01 0.00 0.01 0.00 0.00 46.19 42.98 1rf4 s LEU 297 CO 0.12 -0.40 -0.14 -0.54 1.01 0.00 0.00 176.35 176.41 1rf4 s LYS 298 N -4.28 1.08 1.07 1.70 3.01 -0.30 -1.03 119.74 120.99 1rf4 s LYS 298 Ca 0.42 -0.51 -0.16 0.00 -1.01 0.00 0.00 55.97 54.71 1rf4 s LYS 298 Cb -0.10 -1.05 0.10 0.00 -1.01 0.00 0.00 37.83 35.77 1rf4 s LYS 298 CO 0.34 0.29 0.21 0.41 0.51 0.00 0.00 175.35 177.11 1rf4 n GLY 299 N 2.67 -2.29 3.80 -3.33 0.00 -0.22 -4.29 105.19 101.54 1rf4 n GLY 299 Ca -0.14 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.00 1rf4 n GLY 299 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rf4 s THR 300 N -2.30 0.00 -0.14 2.61 -1.32 -1.21 -4.78 115.64 108.49 1rf4 s THR 300 Ca 0.57 -0.86 -0.05 0.00 -1.21 0.00 0.00 61.69 60.14 1rf4 s THR 300 Cb -0.16 -1.88 -0.04 0.00 -1.51 0.00 0.00 72.50 68.92 1rf4 s THR 300 CO 0.66 0.00 0.03 -0.70 -2.21 0.00 0.00 174.62 172.40 1rf4 s GLU 301 N -3.86 3.57 -0.27 7.08 2.12 -1.26 -2.04 118.70 124.04 1rf4 s GLU 301 Ca 0.10 -0.38 0.02 0.00 0.36 0.00 0.00 54.97 55.06 1rf4 s GLU 301 Cb -0.05 -3.02 0.07 0.00 0.26 0.00 0.00 34.13 31.39 1rf4 s GLU 301 CO 0.04 0.43 -0.02 0.42 -0.54 0.00 0.00 175.26 175.60 1rf4 s ILE 302 N -0.12 1.71 0.33 -3.70 1.01 0.44 -4.96 121.20 115.91 1rf4 s ILE 302 Ca 0.05 -1.55 0.03 0.00 0.00 0.00 0.00 60.65 59.19 1rf4 s ILE 302 Cb -0.12 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 1rf4 s ILE 302 CO 0.02 -0.26 0.37 0.00 0.00 0.00 0.00 174.94 175.06 1rf4 n GLY 304 N -0.58 0.00 4.79 0.00 0.00 -1.26 -2.55 105.19 105.59 1rf4 n GLY 304 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1rf4 n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf4 n ALA 305 N 0.00 0.00 0.13 4.61 0.00 -1.26 -4.49 120.51 119.49 1rf4 n ALA 305 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1rf4 n ALA 305 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 1rf4 n ALA 305 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rf4 h LEU 306 N 0.00 0.00 -0.17 0.00 5.85 -1.90 -3.36 115.31 115.73 1rf4 h LEU 306 Ca 0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1rf4 h LEU 306 Cb 0.00 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1rf4 h LEU 306 CO 0.00 0.67 -0.49 0.40 -0.34 0.00 0.00 178.44 178.68 1rf4 h ILE 307 N 0.00 0.00 0.00 4.05 1.08 -1.79 -1.30 117.51 119.55 1rf4 h ILE 307 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1rf4 h ILE 307 Cb 1.22 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 1rf4 h ILE 307 CO 0.09 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.74 1rf4 n PRO 308 N -5.11 0.15 0.00 2.37 -0.04 -1.26 -0.83 135.00 130.28 1rf4 n PRO 308 Ca -0.05 0.62 0.14 0.00 -0.04 0.00 0.00 63.50 64.17 1rf4 n PRO 308 Cb 0.33 -1.95 0.61 0.00 -0.04 0.00 0.00 33.50 32.45 1rf4 n PRO 308 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1rf4 n ARG 309 N -2.26 0.76 -0.74 0.54 1.74 -0.50 -4.33 116.66 111.87 1rf4 n ARG 309 Ca -0.01 -0.27 -0.02 0.00 -0.77 0.00 0.00 57.85 56.77 1rf4 n ARG 309 Cb 0.05 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1rf4 n ARG 309 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1rf4 n LEU 310 N -0.89 -0.33 -0.31 0.55 -0.00 -0.28 -1.67 117.00 114.07 1rf4 n LEU 310 Ca 0.15 -1.42 0.09 0.00 -0.00 0.00 0.00 56.01 54.82 1rf4 n LEU 310 Cb 0.28 0.00 0.25 0.00 -0.00 0.00 0.00 43.42 43.95 1rf4 n LEU 310 CO 0.23 1.12 1.13 0.16 -0.00 0.00 0.00 177.39 180.03 1rf4 h ILE 311 N 5.22 0.73 0.00 1.47 -0.00 -1.18 0.03 117.51 123.78 1rf4 h ILE 311 Ca -0.23 -0.23 0.00 0.00 -0.00 0.00 0.00 64.86 64.40 1rf4 h ILE 311 Cb 1.22 -0.00 0.00 0.00 -0.00 0.00 0.00 36.82 38.04 1rf4 h ILE 311 CO -0.11 0.12 0.00 0.47 -0.00 0.00 0.00 178.15 178.64 1rf4 n ASP 312 N -4.84 0.69 -0.21 2.16 8.00 -1.26 -2.89 116.55 118.20 1rf4 n ASP 312 Ca 0.19 0.61 0.12 0.00 0.71 0.00 0.00 54.79 56.42 1rf4 n ASP 312 Cb 0.47 -0.78 0.21 0.00 -0.02 0.00 0.00 41.12 40.99 1rf4 n ASP 312 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1rf4 n GLU 313 N -2.20 0.63 0.04 -1.24 4.71 -0.03 -4.22 120.64 118.33 1rf4 n GLU 313 Ca 0.04 -0.43 0.04 0.00 -0.01 0.00 0.00 57.16 56.80 1rf4 n GLU 313 Cb 0.33 -1.49 0.45 0.00 -1.01 0.00 0.00 31.44 29.72 1rf4 n GLU 313 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1rf4 h LEU 314 N 1.05 0.40 0.08 -4.62 3.38 -1.36 0.82 115.31 115.06 1rf4 h LEU 314 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1rf4 h LEU 314 Cb 0.56 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1rf4 h LEU 314 CO 0.00 0.29 -0.04 -0.65 0.09 0.00 0.00 178.44 178.14 1rf4 h PRO 315 N 0.47 -0.10 0.00 1.13 0.11 -1.81 0.18 132.00 131.99 1rf4 h PRO 315 Ca 0.13 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 1rf4 h PRO 315 Cb -0.05 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 1rf4 h PRO 315 CO -0.03 -0.03 -0.34 -0.84 -0.21 0.00 0.00 178.00 176.54 1rf4 h ILE 316 N -0.14 0.81 -0.32 4.15 -0.00 -1.75 -2.54 117.51 117.73 1rf4 h ILE 316 Ca -0.01 -1.46 -0.10 0.00 -0.00 0.00 0.00 64.86 63.29 1rf4 h ILE 316 Cb 0.11 1.91 -0.01 0.00 -0.00 0.00 0.00 36.82 38.83 1rf4 h ILE 316 CO 0.02 0.34 -0.24 0.40 -0.00 0.00 0.00 178.15 178.67 1rf4 h ILE 317 N 0.00 1.27 -0.86 0.16 2.04 -0.50 0.52 117.51 120.14 1rf4 h ILE 317 Ca -0.00 -1.30 0.03 0.00 1.00 0.00 0.00 64.86 64.58 1rf4 h ILE 317 Cb 0.88 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 1rf4 h ILE 317 CO 0.04 0.42 0.56 0.00 0.00 0.00 0.00 178.15 179.18 1rf4 h ALA 318 N 1.20 1.13 -0.30 1.87 0.00 -0.21 0.57 119.26 123.51 1rf4 h ALA 318 Ca 0.08 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1rf4 h ALA 318 Cb 0.70 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1rf4 h ALA 318 CO 0.05 0.42 -0.04 1.25 0.00 0.00 0.00 179.25 180.93 1rf4 h LEU 319 N 1.10 0.56 -0.76 0.00 7.12 -1.24 -1.57 115.31 120.51 1rf4 h LEU 319 Ca 0.34 -0.34 0.07 0.00 0.13 0.00 0.00 57.88 58.07 1rf4 h LEU 319 Cb -0.02 -0.15 -0.06 0.00 -0.53 0.00 0.00 40.66 39.89 1rf4 h LEU 319 CO -0.11 0.77 0.44 0.25 -0.13 0.00 0.00 178.44 179.67 1rf4 h LEU 320 N 0.33 0.66 -1.78 2.25 5.85 -0.01 0.92 115.31 123.54 1rf4 h LEU 320 Ca 0.08 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1rf4 h LEU 320 Cb 0.51 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1rf4 h LEU 320 CO 0.02 0.41 -0.13 0.00 -0.34 0.00 0.00 178.44 178.40 1rf4 h ALA 321 N 1.39 1.20 0.00 1.25 0.00 0.39 -1.78 119.26 121.72 1rf4 h ALA 321 Ca 0.35 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1rf4 h ALA 321 Cb 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1rf4 h ALA 321 CO -0.20 0.16 -0.31 1.15 0.00 0.00 0.00 179.25 180.05 1rf4 h THR 322 N 0.00 1.14 -0.32 0.00 2.02 0.21 -2.77 112.91 113.19 1rf4 h THR 322 Ca -0.00 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1rf4 h THR 322 Cb 0.41 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1rf4 h THR 322 CO 0.02 0.31 0.00 0.00 0.37 0.00 0.00 175.52 176.21 1rf4 n GLN 323 N -4.04 2.21 -3.79 6.66 1.13 -0.68 -0.59 117.38 118.27 1rf4 n GLN 323 Ca -0.02 -1.82 -0.31 0.00 -1.94 0.00 0.00 57.00 52.90 1rf4 n GLN 323 Cb 0.37 -1.46 -0.04 0.00 0.11 0.00 0.00 30.24 29.21 1rf4 n GLN 323 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rf4 s ALA 324 N -1.59 3.90 0.14 -1.58 0.00 -1.04 -4.40 121.76 117.18 1rf4 s ALA 324 Ca 0.36 -0.69 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 1rf4 s ALA 324 Cb 0.20 -1.99 -0.07 0.00 0.00 0.00 0.00 23.12 21.27 1rf4 s ALA 324 CO 0.29 0.75 1.13 -0.65 0.00 0.00 0.00 175.76 177.28 1rf4 s GLN 325 N -2.57 4.54 1.00 0.00 -1.52 -0.19 -1.47 119.66 119.44 1rf4 s GLN 325 Ca 0.38 1.74 0.00 0.00 -1.95 0.00 0.00 55.36 55.52 1rf4 s GLN 325 Cb -0.13 -3.30 0.00 0.00 -0.22 0.00 0.00 33.01 29.36 1rf4 s GLN 325 CO 0.26 -0.04 0.00 0.41 -0.25 0.00 0.00 175.29 175.67 1rf4 n GLY 326 N 2.42 -1.76 3.78 3.09 0.00 -1.26 -1.06 105.19 110.41 1rf4 n GLY 326 Ca 0.05 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 1rf4 n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf4 s VAL 327 N 0.00 4.79 -0.07 1.61 1.01 -1.26 0.20 120.40 126.68 1rf4 s VAL 327 Ca 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1rf4 s VAL 327 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1rf4 s VAL 327 CO 0.00 0.48 -0.20 0.42 0.00 0.00 0.00 175.10 175.81 1rf4 s THR 328 N -1.07 1.68 -0.09 3.92 -4.23 -0.12 -3.32 115.64 112.42 1rf4 s THR 328 Ca 0.18 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 1rf4 s THR 328 Cb -0.12 -1.46 -0.03 0.00 1.34 0.00 0.00 72.50 72.24 1rf4 s THR 328 CO 0.08 0.48 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.85 1rf4 s VAL 329 N 0.24 3.40 -0.18 2.29 1.01 -0.86 -0.86 120.40 125.43 1rf4 s VAL 329 Ca -0.11 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1rf4 s VAL 329 Cb -0.15 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.87 1rf4 s VAL 329 CO 0.05 0.57 -0.12 -0.63 0.00 0.00 0.00 175.10 174.97 1rf4 s ILE 330 N -0.41 1.64 0.27 2.22 1.01 -0.06 -0.42 121.20 125.45 1rf4 s ILE 330 Ca 0.05 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.82 1rf4 s ILE 330 Cb -0.12 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1rf4 s ILE 330 CO 0.02 0.27 0.13 -1.59 0.00 0.00 0.00 174.94 173.77 1rf4 s LYS 331 N 1.42 1.46 -1.41 2.79 -2.85 -0.75 -1.38 119.74 119.03 1rf4 s LYS 331 Ca 0.01 -1.81 0.00 0.00 -1.00 0.00 0.00 55.97 53.17 1rf4 s LYS 331 Cb -0.15 -0.13 0.00 0.00 -2.06 0.00 0.00 37.83 35.49 1rf4 s LYS 331 CO -0.09 -0.37 0.00 -0.25 0.10 0.00 0.00 175.35 174.74 1rf4 n ASP 332 N -0.64 -4.64 -0.95 0.03 10.43 -0.90 -4.22 116.55 115.66 1rf4 n ASP 332 Ca 0.01 0.15 -0.01 0.00 2.57 0.00 0.00 54.79 57.51 1rf4 n ASP 332 Cb 0.66 -3.64 0.16 0.00 1.84 0.00 0.00 41.12 40.14 1rf4 n ASP 332 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1rf4 n ALA 333 N -0.41 4.00 0.14 2.24 0.00 0.05 -4.75 120.51 121.79 1rf4 n ALA 333 Ca -0.16 -3.43 0.08 0.00 0.00 0.00 0.00 53.44 49.92 1rf4 n ALA 333 Cb 0.57 -0.34 0.40 0.00 0.00 0.00 0.00 19.45 20.07 1rf4 n ALA 333 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1rf4 n GLU 334 N -1.02 0.10 0.30 0.00 0.00 -1.25 -1.33 120.64 117.43 1rf4 n GLU 334 Ca 0.25 0.57 0.19 0.00 0.00 0.00 0.00 57.16 58.17 1rf4 n GLU 334 Cb 0.76 -1.80 0.89 0.00 0.00 0.00 0.00 31.44 31.29 1rf4 n GLU 334 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1rf4 h GLU 335 N 0.00 0.00 -0.68 3.44 4.39 -1.93 -2.61 114.58 117.19 1rf4 h GLU 335 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1rf4 h GLU 335 Cb 0.04 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1rf4 h GLU 335 CO 0.00 0.02 0.29 -0.07 -1.16 0.00 0.00 179.01 178.09 1rf4 h LEU 336 N 0.00 0.90 -2.09 1.33 3.38 -1.60 -2.67 115.31 114.56 1rf4 h LEU 336 Ca -0.00 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1rf4 h LEU 336 Cb 0.30 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1rf4 h LEU 336 CO 0.00 0.79 0.28 0.11 0.09 0.00 0.00 178.44 179.71 1rf4 h LYS 337 N 0.98 0.00 -0.58 1.13 1.57 -1.67 -2.06 116.57 115.94 1rf4 h LYS 337 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1rf4 h LYS 337 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1rf4 h LYS 337 CO -0.02 0.00 0.00 1.55 -0.57 0.00 0.00 179.45 180.41 1rf4 n VAL 338 N -4.05 2.03 -0.42 0.50 3.14 -1.01 -4.01 118.33 114.50 1rf4 n VAL 338 Ca 0.05 -1.31 0.00 0.00 -2.96 0.00 0.00 64.34 60.12 1rf4 n VAL 338 Cb 0.44 0.03 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 1rf4 n VAL 338 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1rf4 n LYS 339 N 0.81 0.60 0.10 1.45 4.76 -0.84 -4.82 118.16 120.23 1rf4 n LYS 339 Ca 0.25 0.00 0.20 0.00 -2.87 0.00 0.00 58.31 55.89 1rf4 n LYS 339 Cb 0.93 0.00 0.72 0.00 -1.84 0.00 0.00 35.03 34.83 1rf4 n LYS 339 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1rf4 h GLU 340 N 0.00 0.00 -3.88 1.97 5.08 -1.93 -3.41 114.58 112.41 1rf4 h GLU 340 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1rf4 h GLU 340 Cb 0.00 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 1rf4 h GLU 340 CO 0.00 0.00 -0.19 0.95 -1.00 0.00 0.00 179.01 178.77 1rf4 s THR 341 N -4.51 0.00 -0.93 1.13 -4.23 -1.26 -4.77 115.64 101.07 1rf4 s THR 341 Ca -0.04 -1.53 -0.24 0.00 -1.18 0.00 0.00 61.69 58.70 1rf4 s THR 341 Cb 0.14 -2.38 0.04 0.00 1.34 0.00 0.00 72.50 71.64 1rf4 s THR 341 CO 0.49 0.00 1.41 -0.62 -0.54 0.00 0.00 174.62 175.36 1rf4 s ASP 342 N -3.10 6.36 0.00 3.99 -1.08 -1.26 -4.52 116.67 117.07 1rf4 s ASP 342 Ca 0.27 -1.10 0.06 0.00 -0.52 0.00 0.00 52.55 51.25 1rf4 s ASP 342 Cb 0.00 -2.57 0.32 0.00 -1.46 0.00 0.00 42.92 39.21 1rf4 s ASP 342 CO 0.12 -1.64 1.00 0.54 0.52 0.00 0.00 175.17 175.71 1rf4 n ARG 343 N 9.05 0.11 -0.08 4.34 1.74 -0.84 -0.77 116.66 130.21 1rf4 n ARG 343 Ca 0.23 0.18 -0.09 0.00 -0.77 0.00 0.00 57.85 57.41 1rf4 n ARG 343 Cb 0.50 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.40 1rf4 n ARG 343 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1rf4 h ILE 344 N 0.00 0.29 0.00 0.55 2.04 -1.88 -3.28 117.51 115.24 1rf4 h ILE 344 Ca 0.00 -1.33 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 1rf4 h ILE 344 Cb 0.04 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1rf4 h ILE 344 CO 0.00 0.10 -0.00 -0.61 0.00 0.00 0.00 178.15 177.63 1rf4 h GLN 345 N -1.00 -0.01 -0.44 2.37 5.75 -1.83 -1.83 115.11 118.12 1rf4 h GLN 345 Ca -0.08 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.37 1rf4 h GLN 345 Cb 0.66 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 1rf4 h GLN 345 CO -0.05 0.31 0.07 0.28 -2.65 0.00 0.00 178.83 176.79 1rf4 h VAL 346 N -0.32 1.21 -0.12 2.39 2.07 -1.19 0.50 116.25 120.78 1rf4 h VAL 346 Ca -0.00 -0.78 -0.18 0.00 0.82 0.00 0.00 66.70 66.56 1rf4 h VAL 346 Cb 0.32 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1rf4 h VAL 346 CO 0.00 0.28 -0.62 0.58 0.02 0.00 0.00 177.57 177.83 1rf4 h VAL 347 N 0.64 1.33 -0.59 2.57 2.07 -1.61 -0.04 116.25 120.61 1rf4 h VAL 347 Ca 0.14 -1.89 -0.03 0.00 0.82 0.00 0.00 66.70 65.74 1rf4 h VAL 347 Cb 0.30 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1rf4 h VAL 347 CO 0.00 0.58 0.25 0.00 0.02 0.00 0.00 177.57 178.42 1rf4 h ALA 348 N 0.50 0.77 -0.05 1.67 0.00 -1.09 -0.50 119.26 120.57 1rf4 h ALA 348 Ca -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1rf4 h ALA 348 Cb 1.26 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1rf4 h ALA 348 CO 0.13 0.37 -0.02 -0.44 0.00 0.00 0.00 179.25 179.29 1rf4 h ASP 349 N 0.82 0.10 0.03 0.00 3.32 -0.91 -0.82 116.42 118.97 1rf4 h ASP 349 Ca 0.20 -0.42 0.03 0.00 0.02 0.00 0.00 57.03 56.86 1rf4 h ASP 349 Cb 0.18 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 1rf4 h ASP 349 CO -0.02 0.50 -0.29 0.00 -1.72 0.00 0.00 179.24 177.71 1rf4 h ALA 350 N 0.60 -0.43 -0.21 3.45 0.00 -0.85 -1.15 119.26 120.66 1rf4 h ALA 350 Ca 0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1rf4 h ALA 350 Cb 0.46 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1rf4 h ALA 350 CO 0.01 -0.80 -0.38 -0.07 0.00 0.00 0.00 179.25 178.00 1rf4 h LEU 351 N -0.45 0.50 -1.43 0.00 3.38 -1.16 -2.91 115.31 113.24 1rf4 h LEU 351 Ca 0.05 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1rf4 h LEU 351 Cb 0.52 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1rf4 h LEU 351 CO -0.23 0.83 -0.15 0.78 0.09 0.00 0.00 178.44 179.77 1rf4 h ASN 352 N 0.40 0.18 0.52 -0.43 2.35 -0.77 0.10 115.58 117.93 1rf4 h ASN 352 Ca 0.04 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1rf4 h ASN 352 Cb 0.84 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.17 1rf4 h ASN 352 CO 0.07 0.35 0.00 -1.54 -1.65 0.00 0.00 177.43 174.66 1rf4 n SER 353 N -4.27 0.00 -0.06 5.81 3.41 -0.47 -3.29 113.62 114.74 1rf4 n SER 353 Ca -0.01 0.34 -0.10 0.00 -0.26 0.00 0.00 58.87 58.84 1rf4 n SER 353 Cb 0.27 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.74 1rf4 n SER 353 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1rf4 n MET 354 N -1.43 0.30 0.00 4.33 2.81 -0.21 -4.63 117.12 118.29 1rf4 n MET 354 Ca 0.06 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1rf4 n MET 354 Cb 0.19 -1.20 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1rf4 n MET 354 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf4 n GLY 355 N 2.77 0.01 4.48 3.03 0.00 -0.15 0.17 105.19 115.50 1rf4 n GLY 355 Ca -0.23 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1rf4 n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf4 n ALA 356 N -0.87 0.00 -3.53 4.61 0.00 -1.00 -4.78 120.51 114.95 1rf4 n ALA 356 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1rf4 n ALA 356 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1rf4 n ALA 356 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rf4 n ASP 357 N 0.05 -5.39 -3.98 0.00 8.00 -1.26 -4.77 116.55 109.20 1rf4 n ASP 357 Ca 0.00 -0.54 -0.31 0.00 0.71 0.00 0.00 54.79 54.65 1rf4 n ASP 357 Cb 0.00 -4.91 -0.16 0.00 -0.02 0.00 0.00 41.12 36.03 1rf4 n ASP 357 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rf4 s ILE 358 N -3.32 1.68 -0.38 0.53 1.01 -1.26 -0.96 121.20 118.51 1rf4 s ILE 358 Ca 0.45 -1.26 -0.14 0.00 0.00 0.00 0.00 60.65 59.70 1rf4 s ILE 358 Cb -0.20 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.39 1rf4 s ILE 358 CO 0.71 -0.03 0.27 -0.89 0.00 0.00 0.00 174.94 174.99 1rf4 s THR 359 N 1.33 5.24 0.42 2.92 2.01 0.29 -4.93 115.64 122.92 1rf4 s THR 359 Ca -0.06 -0.46 -0.24 0.00 0.31 0.00 0.00 61.69 61.24 1rf4 s THR 359 Cb -0.19 -3.82 -0.09 0.00 0.01 0.00 0.00 72.50 68.42 1rf4 s THR 359 CO -0.06 -0.17 1.08 -2.16 -0.69 0.00 0.00 174.62 172.62 1rf4 s PRO 360 N 1.69 4.04 0.35 4.92 0.04 -1.26 -0.95 135.00 143.84 1rf4 s PRO 360 Ca 0.05 1.58 0.03 0.00 0.04 0.00 0.00 61.00 62.71 1rf4 s PRO 360 Cb -0.18 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 1rf4 s PRO 360 CO 0.10 -0.26 0.13 0.95 0.04 0.00 0.00 177.00 177.95 1rf4 s THR 361 N -1.64 0.62 0.50 1.26 -4.23 -0.63 -4.92 115.64 106.60 1rf4 s THR 361 Ca 0.60 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.36 1rf4 s THR 361 Cb -0.24 -2.50 0.30 0.00 1.34 0.00 0.00 72.50 71.41 1rf4 s THR 361 CO 0.29 0.00 2.15 0.00 -0.54 0.00 0.00 174.62 176.52 1rf4 h ALA 362 N 2.02 1.51 0.00 3.99 0.00 -1.98 -3.13 119.26 121.66 1rf4 h ALA 362 Ca -0.36 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1rf4 h ALA 362 Cb 1.26 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.89 1rf4 h ALA 362 CO 0.58 0.08 -0.65 -0.40 0.00 0.00 0.00 179.25 178.86 1rf4 n ASP 363 N -3.90 1.33 0.00 0.00 3.85 -1.26 -4.55 116.55 112.01 1rf4 n ASP 363 Ca -0.03 -2.88 0.00 0.00 -0.71 0.00 0.00 54.79 51.17 1rf4 n ASP 363 Cb 0.16 -0.40 0.00 0.00 -1.35 0.00 0.00 41.12 39.53 1rf4 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1rf4 n GLY 364 N -0.42 -0.37 3.52 6.12 0.00 -1.19 -0.77 105.19 112.09 1rf4 n GLY 364 Ca 0.12 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 1rf4 n GLY 364 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1rf4 s MET 365 N -0.80 0.74 -0.12 1.61 0.23 -0.48 -1.60 119.30 118.88 1rf4 s MET 365 Ca 0.00 -0.25 0.03 0.00 -1.03 0.00 0.00 55.69 54.44 1rf4 s MET 365 Cb 0.00 0.34 0.01 0.00 -1.53 0.00 0.00 34.83 33.65 1rf4 s MET 365 CO 0.00 -0.32 -0.22 0.42 -2.03 0.00 0.00 175.02 172.87 1rf4 s ILE 366 N -2.90 1.99 -0.18 3.16 1.01 -0.13 -0.88 121.20 123.27 1rf4 s ILE 366 Ca 0.05 -0.96 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 1rf4 s ILE 366 Cb -0.01 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.72 1rf4 s ILE 366 CO -0.08 0.54 -0.15 -0.63 0.00 0.00 0.00 174.94 174.62 1rf4 s ILE 367 N 0.62 2.55 -0.31 2.92 1.01 -0.04 -0.55 121.20 127.40 1rf4 s ILE 367 Ca -0.12 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 59.58 1rf4 s ILE 367 Cb -0.17 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 1rf4 s ILE 367 CO 0.03 0.51 0.42 -0.75 0.00 0.00 0.00 174.94 175.15 1rf4 s LYS 368 N 1.16 3.79 0.58 2.79 2.20 -0.13 -0.94 119.74 129.19 1rf4 s LYS 368 Ca 0.01 -0.11 -0.06 0.00 -0.36 0.00 0.00 55.97 55.45 1rf4 s LYS 368 Cb -0.14 -3.74 -0.00 0.00 -1.51 0.00 0.00 37.83 32.44 1rf4 s LYS 368 CO -0.06 -0.46 0.90 0.20 -0.36 0.00 0.00 175.35 175.57 1rf4 s GLY 369 N 1.69 1.59 0.00 5.54 0.00 0.52 -4.75 107.32 111.92 1rf4 s GLY 369 Ca 0.16 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.26 1rf4 s GLY 369 CO 0.11 -0.35 0.00 1.17 0.00 0.00 0.00 173.10 174.03 1rf4 n LYS 370 N -2.56 0.00 -4.62 2.90 3.00 0.24 -4.01 118.16 113.11 1rf4 n LYS 370 Ca 0.04 0.16 -0.34 0.00 -0.00 0.00 0.00 58.31 58.17 1rf4 n LYS 370 Cb 0.57 -0.80 -0.12 0.00 0.00 0.00 0.00 35.03 34.68 1rf4 n LYS 370 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1rf4 s SER 371 N -2.21 4.60 -0.25 3.14 0.01 -0.84 -5.04 113.70 113.11 1rf4 s SER 371 Ca 0.00 -0.06 -0.19 0.00 1.31 0.00 0.00 55.95 57.01 1rf4 s SER 371 Cb 0.00 -1.25 -0.02 0.00 0.21 0.00 0.00 66.02 64.96 1rf4 s SER 371 CO 0.00 0.33 0.59 0.00 0.41 0.00 0.00 173.24 174.56 1rf4 s ALA 372 N -0.60 3.60 0.37 1.44 0.00 -1.26 -4.83 121.76 120.47 1rf4 s ALA 372 Ca 0.09 -0.47 -0.16 0.00 0.00 0.00 0.00 51.96 51.41 1rf4 s ALA 372 Cb -0.12 -2.97 -0.09 0.00 0.00 0.00 0.00 23.12 19.94 1rf4 s ALA 372 CO 0.02 -0.74 0.82 -0.51 0.00 0.00 0.00 175.76 175.34 1rf4 s LEU 373 N 2.34 3.98 0.35 0.00 1.43 -1.26 -4.60 118.68 120.91 1rf4 s LEU 373 Ca 0.25 1.41 0.04 0.00 -1.03 0.00 0.00 54.13 54.79 1rf4 s LEU 373 Cb -0.16 -4.24 -0.03 0.00 0.03 0.00 0.00 46.19 41.79 1rf4 s LEU 373 CO 0.09 -0.29 0.16 -1.38 0.23 0.00 0.00 176.35 175.15 1rf4 s HIS 374 N -2.12 1.71 0.92 0.29 -3.43 0.45 -3.89 115.29 109.21 1rf4 s HIS 374 Ca 0.57 -1.35 -0.11 0.00 -0.80 0.00 0.00 55.06 53.37 1rf4 s HIS 374 Cb -0.10 -0.98 0.14 0.00 -1.43 0.00 0.00 32.58 30.22 1rf4 s HIS 374 CO 0.18 -0.45 1.11 0.20 -2.00 0.00 0.00 174.74 173.79 1rf4 s GLY 375 N -3.46 1.66 0.00 -1.38 0.00 -1.26 -4.53 107.32 98.34 1rf4 s GLY 375 Ca 0.32 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.38 1rf4 s GLY 375 CO 0.17 0.80 0.00 0.00 0.00 0.00 0.00 173.10 174.07 1rf4 n ALA 376 N -4.14 0.00 -3.00 3.20 0.00 -0.13 -4.70 120.51 111.73 1rf4 n ALA 376 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.17 1rf4 n ALA 376 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.86 1rf4 n ALA 376 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1rf4 s ARG 377 N -2.00 3.71 -0.05 0.00 3.52 -1.26 -0.56 118.95 122.31 1rf4 s ARG 377 Ca 0.00 -0.46 0.06 0.00 -0.13 0.00 0.00 55.73 55.20 1rf4 s ARG 377 Cb 0.00 -3.28 -0.02 0.00 -1.56 0.00 0.00 34.95 30.09 1rf4 s ARG 377 CO 0.00 -0.08 -0.22 0.08 -0.81 0.00 0.00 175.30 174.27 1rf4 s VAL 378 N 1.32 2.39 -0.14 7.11 1.01 0.28 -4.93 120.40 127.44 1rf4 s VAL 378 Ca 0.05 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 1rf4 s VAL 378 Cb -0.15 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1rf4 s VAL 378 CO 0.03 0.57 -0.00 0.21 0.00 0.00 0.00 175.10 175.92 1rf4 s ASN 379 N -0.40 5.12 0.27 3.32 2.47 -1.26 -0.37 114.94 124.10 1rf4 s ASN 379 Ca 0.04 -0.00 0.04 0.00 0.42 0.00 0.00 52.86 53.35 1rf4 s ASN 379 Cb -0.12 -1.74 0.39 0.00 -1.45 0.00 0.00 41.25 38.33 1rf4 s ASN 379 CO 0.02 0.23 1.68 0.74 -3.72 0.00 0.00 177.10 176.04 1rf4 h THR 380 N 4.81 1.30 -2.28 -5.21 2.02 -1.60 -3.47 112.91 108.48 1rf4 h THR 380 Ca -0.38 -1.50 -0.39 0.00 0.77 0.00 0.00 66.41 64.91 1rf4 h THR 380 Cb 1.18 1.61 -0.06 0.00 -1.74 0.00 0.00 68.15 69.15 1rf4 h THR 380 CO 0.63 0.46 -0.46 0.49 0.37 0.00 0.00 175.52 177.00 1rf4 n PHE 381 N -4.04 -0.68 -0.94 3.16 3.01 -1.26 -1.84 117.46 114.88 1rf4 n PHE 381 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1rf4 n PHE 381 Cb 0.48 -3.65 0.00 0.00 -0.01 0.00 0.00 39.48 36.30 1rf4 n PHE 381 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rf4 n GLY 382 N -0.90 0.83 3.47 1.37 0.00 -1.26 -4.88 105.19 103.82 1rf4 n GLY 382 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1rf4 n GLY 382 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rf4 s ASP 383 N -2.68 6.10 0.49 1.61 -1.08 -0.76 -4.85 116.67 115.50 1rf4 s ASP 383 Ca 0.00 -0.81 0.19 0.00 -0.52 0.00 0.00 52.55 51.41 1rf4 s ASP 383 Cb 0.00 -2.15 1.23 0.00 -1.46 0.00 0.00 42.92 40.54 1rf4 s ASP 383 CO 0.00 -0.41 2.03 1.12 0.52 0.00 0.00 175.17 178.43 1rf4 h HIS 384 N 8.60 0.16 -0.08 -5.34 2.07 -1.87 -2.16 115.15 116.54 1rf4 h HIS 384 Ca -0.28 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.07 1rf4 h HIS 384 Cb 1.13 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 31.05 1rf4 h HIS 384 CO 0.57 0.08 -0.69 0.00 -3.07 0.00 0.00 177.93 174.82 1rf4 h ARG 385 N 0.15 0.35 -0.55 5.12 3.08 -1.93 -2.05 114.38 118.55 1rf4 h ARG 385 Ca 0.20 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 1rf4 h ARG 385 Cb 0.59 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1rf4 h ARG 385 CO -0.03 0.91 0.14 0.82 -1.07 0.00 0.00 179.97 180.74 1rf4 h ILE 386 N 0.24 1.24 0.29 2.04 1.08 -1.71 -0.97 117.51 119.72 1rf4 h ILE 386 Ca -0.02 -0.87 -0.00 0.00 -0.39 0.00 0.00 64.86 63.57 1rf4 h ILE 386 Cb 1.25 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 1rf4 h ILE 386 CO 0.12 0.32 -0.22 1.23 -0.69 0.00 0.00 178.15 178.91 1rf4 h GLY 387 N 0.78 -0.52 1.87 5.37 0.00 -1.30 -1.26 103.07 108.01 1rf4 h GLY 387 Ca 0.17 0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.68 1rf4 h GLY 387 CO 0.00 -0.21 -0.22 -0.33 0.00 0.00 0.00 176.54 175.78 1rf4 h MET 388 N -0.51 0.15 -0.30 4.80 2.86 -1.31 -1.21 114.93 119.41 1rf4 h MET 388 Ca -0.02 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1rf4 h MET 388 Cb 0.44 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1rf4 h MET 388 CO -0.00 0.37 0.04 1.98 1.06 0.00 0.00 176.91 180.36 1rf4 h MET 389 N 0.14 0.50 -0.60 1.72 -1.53 -0.92 -2.14 114.93 112.09 1rf4 h MET 389 Ca 0.03 -0.14 -0.05 0.00 -3.44 0.00 0.00 59.70 56.10 1rf4 h MET 389 Cb 0.48 -0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 31.44 1rf4 h MET 389 CO 0.03 0.61 0.19 1.15 0.14 0.00 0.00 176.91 179.03 1rf4 h THR 390 N 0.32 1.24 -0.16 -0.77 2.02 -0.88 -0.64 112.91 114.03 1rf4 h THR 390 Ca 0.09 -0.83 0.04 0.00 0.77 0.00 0.00 66.41 66.49 1rf4 h THR 390 Cb 0.35 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 1rf4 h THR 390 CO 0.01 0.31 -0.13 0.00 0.37 0.00 0.00 175.52 176.08 1rf4 h ALA 391 N 1.06 -0.01 -0.13 6.16 0.00 -1.05 0.32 119.26 125.62 1rf4 h ALA 391 Ca 0.20 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 1rf4 h ALA 391 Cb 0.29 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1rf4 h ALA 391 CO -0.01 -0.57 -0.46 -0.84 0.00 0.00 0.00 179.25 177.37 1rf4 h ILE 392 N -0.14 1.33 -0.52 0.00 -0.00 -1.22 -2.81 117.51 114.15 1rf4 h ILE 392 Ca 0.10 -1.66 -0.07 0.00 -0.00 0.00 0.00 64.86 63.23 1rf4 h ILE 392 Cb 0.29 1.74 -0.02 0.00 -0.00 0.00 0.00 36.82 38.83 1rf4 h ILE 392 CO -0.25 0.50 0.03 0.00 -0.00 0.00 0.00 178.15 178.44 1rf4 h ALA 393 N 1.26 1.09 -0.28 0.16 0.00 -0.36 -2.11 119.26 119.01 1rf4 h ALA 393 Ca 0.02 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1rf4 h ALA 393 Cb 0.92 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1rf4 h ALA 393 CO 0.08 0.58 0.20 0.00 0.00 0.00 0.00 179.25 180.10 1rf4 h ALA 394 N 1.24 2.05 -0.08 0.00 0.00 -0.12 -0.95 119.26 121.41 1rf4 h ALA 394 Ca 0.16 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1rf4 h ALA 394 Cb 0.43 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rf4 h ALA 394 CO 0.02 -0.11 0.09 -0.07 0.00 0.00 0.00 179.25 179.18 1rf4 h LEU 395 N 0.17 0.00 -2.13 0.00 3.38 -1.31 -1.37 115.31 114.05 1rf4 h LEU 395 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1rf4 h LEU 395 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1rf4 h LEU 395 CO -0.02 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.69 1rf4 n LEU 396 N -3.81 3.14 -4.54 1.67 4.77 -0.36 -1.66 117.00 116.21 1rf4 n LEU 396 Ca -0.01 -1.45 -0.42 0.00 -0.03 0.00 0.00 56.01 54.10 1rf4 n LEU 396 Cb 0.19 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1rf4 n LEU 396 CO 0.27 0.73 1.05 -0.69 -1.33 0.00 0.00 177.39 177.42 1rf4 s VAL 397 N -1.39 3.94 0.25 4.08 1.01 -0.52 -4.31 120.40 123.47 1rf4 s VAL 397 Ca 0.39 0.42 -0.05 0.00 0.00 0.00 0.00 61.98 62.75 1rf4 s VAL 397 Cb 0.21 -4.80 0.19 0.00 0.00 0.00 0.00 36.38 31.98 1rf4 s VAL 397 CO 0.29 -1.60 1.85 0.00 0.00 0.00 0.00 175.10 175.64 1rf4 h ALA 398 N 9.77 1.19 -2.02 5.51 0.00 -1.89 -1.71 119.26 130.11 1rf4 h ALA 398 Ca -0.27 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.30 1rf4 h ALA 398 Cb 1.06 -0.30 -0.31 0.00 0.00 0.00 0.00 17.79 18.23 1rf4 h ALA 398 CO 1.22 0.61 -0.51 0.34 0.00 0.00 0.00 179.25 180.92 1rf4 s ASP 399 N -6.38 0.48 0.00 0.00 3.68 -1.26 -4.79 116.67 108.40 1rf4 s ASP 399 Ca -0.12 0.12 0.00 0.00 2.13 0.00 0.00 52.55 54.69 1rf4 s ASP 399 Cb 0.16 0.97 0.00 0.00 -1.45 0.00 0.00 42.92 42.60 1rf4 s ASP 399 CO 0.82 -0.31 0.00 0.61 0.13 0.00 0.00 175.17 176.42 1rf4 n GLY 400 N 5.35 0.95 3.23 2.66 0.00 -1.26 -4.43 105.19 111.69 1rf4 n GLY 400 Ca -0.04 -1.70 -0.27 0.00 0.00 0.00 0.00 46.02 44.01 1rf4 n GLY 400 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rf4 s GLU 401 N -1.47 1.63 -0.16 1.61 0.41 -1.26 -4.76 118.70 114.70 1rf4 s GLU 401 Ca 0.00 -0.78 0.02 0.00 -0.41 0.00 0.00 54.97 53.80 1rf4 s GLU 401 Cb 0.00 -1.61 0.02 0.00 -1.78 0.00 0.00 34.13 30.76 1rf4 s GLU 401 CO 0.00 0.44 -0.21 0.54 -0.49 0.00 0.00 175.26 175.54 1rf4 s VAL 402 N -0.54 2.06 -0.12 2.63 0.11 -1.26 -0.96 120.40 122.33 1rf4 s VAL 402 Ca 0.08 -0.96 -0.03 0.00 -2.93 0.00 0.00 61.98 58.15 1rf4 s VAL 402 Cb -0.08 -1.84 -0.03 0.00 -1.53 0.00 0.00 36.38 32.89 1rf4 s VAL 402 CO -0.00 0.54 -0.02 -1.61 -3.33 0.00 0.00 175.10 170.68 1rf4 s GLU 403 N 1.08 3.31 -0.24 1.54 2.02 0.28 -2.07 118.70 124.60 1rf4 s GLU 403 Ca -0.00 -0.47 -0.01 0.00 0.02 0.00 0.00 54.97 54.51 1rf4 s GLU 403 Cb -0.14 -2.85 0.03 0.00 0.10 0.00 0.00 34.13 31.27 1rf4 s GLU 403 CO -0.08 0.48 -0.08 -1.17 0.02 0.00 0.00 175.26 174.43 1rf4 s LEU 404 N -0.27 3.13 0.22 1.80 0.20 0.01 0.99 118.68 124.76 1rf4 s LEU 404 Ca 0.05 -0.93 -0.01 0.00 0.69 0.00 0.00 54.13 53.93 1rf4 s LEU 404 Cb -0.12 -1.63 -0.04 0.00 -0.43 0.00 0.00 46.19 43.96 1rf4 s LEU 404 CO 0.02 -0.13 0.42 -1.81 -0.29 0.00 0.00 176.35 174.57 1rf4 s ASP 405 N 1.29 6.39 -1.48 3.68 1.01 0.51 0.35 116.67 128.43 1rf4 s ASP 405 Ca -0.01 0.45 -0.06 0.00 0.71 0.00 0.00 52.55 53.64 1rf4 s ASP 405 Cb -0.17 -2.03 0.03 0.00 1.01 0.00 0.00 42.92 41.76 1rf4 s ASP 405 CO -0.05 -0.07 0.63 0.54 0.21 0.00 0.00 175.17 176.42 1rf4 n ARG 406 N -0.73 -4.76 0.30 8.23 1.74 -1.26 -1.80 116.66 118.38 1rf4 n ARG 406 Ca -0.04 0.79 0.18 0.00 -0.77 0.00 0.00 57.85 58.00 1rf4 n ARG 406 Cb 0.54 -5.63 0.93 0.00 -1.02 0.00 0.00 32.46 27.28 1rf4 n ARG 406 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rf4 h ALA 407 N 1.00 1.14 0.00 7.54 0.00 -1.95 -2.73 119.26 124.26 1rf4 h ALA 407 Ca -0.51 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1rf4 h ALA 407 Cb 1.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1rf4 h ALA 407 CO 0.56 0.05 0.00 1.05 0.00 0.00 0.00 179.25 180.91 1rf4 h GLU 408 N 0.00 0.00 -0.20 0.00 9.09 -1.95 -1.73 114.58 119.80 1rf4 h GLU 408 Ca -0.00 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.45 1rf4 h GLU 408 Cb 0.21 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.30 1rf4 h GLU 408 CO 0.00 0.00 0.14 0.00 0.05 0.00 0.00 179.01 179.21 1rf4 h ALA 409 N 2.02 2.07 -0.33 1.06 0.00 -1.81 -1.07 119.26 121.19 1rf4 h ALA 409 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1rf4 h ALA 409 Cb 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1rf4 h ALA 409 CO 0.00 -0.11 0.31 0.82 0.00 0.00 0.00 179.25 180.27 1rf4 h ILE 410 N 0.10 0.53 0.00 0.00 2.04 -1.56 0.31 117.51 118.92 1rf4 h ILE 410 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1rf4 h ILE 410 Cb 0.24 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1rf4 h ILE 410 CO -0.01 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.73 1rf4 n ASN 411 N -3.95 0.08 0.08 1.72 3.02 -0.41 -1.34 115.26 114.46 1rf4 n ASN 411 Ca 0.05 0.53 0.04 0.00 -0.03 0.00 0.00 54.58 55.17 1rf4 n ASN 411 Cb 0.47 -0.54 0.44 0.00 -0.61 0.00 0.00 39.78 39.55 1rf4 n ASN 411 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1rf4 h THR 412 N 0.00 1.11 0.00 3.41 2.02 -1.12 -0.91 112.91 117.43 1rf4 h THR 412 Ca 0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1rf4 h THR 412 Cb 0.13 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1rf4 h THR 412 CO 0.00 0.13 -0.01 -1.54 0.37 0.00 0.00 175.52 174.48 1rf4 n SER 413 N -4.42 0.03 -3.01 4.18 3.41 -0.97 -3.17 113.62 109.68 1rf4 n SER 413 Ca 0.01 -0.01 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1rf4 n SER 413 Cb 0.14 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 1rf4 n SER 413 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rf4 n TYR 414 N -0.03 -1.65 -0.31 7.33 -0.00 -0.45 -4.76 117.16 117.29 1rf4 n TYR 414 Ca 0.00 -2.79 0.12 0.00 -0.00 0.00 0.00 57.90 55.23 1rf4 n TYR 414 Cb 0.00 0.47 0.34 0.00 -0.00 0.00 0.00 39.34 40.16 1rf4 n TYR 414 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.86 175.51 1rf4 h PRO 415 N 4.03 0.73 -0.66 2.98 0.11 -1.76 -1.67 132.00 135.76 1rf4 h PRO 415 Ca -0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1rf4 h PRO 415 Cb 0.94 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1rf4 h PRO 415 CO 0.40 0.49 0.00 -1.13 -0.21 0.00 0.00 178.00 177.55 1rf4 n SER 416 N -4.62 3.29 0.03 -2.05 3.41 -1.26 -4.60 113.62 107.82 1rf4 n SER 416 Ca 0.20 -2.37 -0.13 0.00 -0.26 0.00 0.00 58.87 56.30 1rf4 n SER 416 Cb 0.50 -0.51 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 1rf4 n SER 416 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1rf4 h PHE 417 N 2.36 -1.32 0.00 7.33 3.57 -1.68 -0.74 116.94 126.45 1rf4 h PHE 417 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1rf4 h PHE 417 Cb 1.12 0.58 -0.00 0.00 2.79 0.00 0.00 35.95 40.44 1rf4 h PHE 417 CO 0.53 -0.47 -0.03 0.74 -2.23 0.00 0.00 178.31 176.85 1rf4 h PHE 418 N -0.54 0.00 -0.21 0.41 0.04 -1.84 -1.08 116.94 113.71 1rf4 h PHE 418 Ca 0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1rf4 h PHE 418 Cb 0.59 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 1rf4 h PHE 418 CO -0.51 0.03 -0.03 -0.44 -0.60 0.00 0.00 178.31 176.76 1rf4 h ASP 419 N 0.00 0.40 -0.69 2.17 3.45 -1.69 -0.73 116.42 119.33 1rf4 h ASP 419 Ca -0.00 -0.35 -0.02 0.00 0.43 0.00 0.00 57.03 57.09 1rf4 h ASP 419 Cb 0.05 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 38.68 1rf4 h ASP 419 CO 0.00 0.65 0.35 0.44 -1.57 0.00 0.00 179.24 179.12 1rf4 h ASP 420 N 0.14 0.89 -0.06 6.45 3.45 -0.49 -2.24 116.42 124.55 1rf4 h ASP 420 Ca 0.06 -0.12 0.03 0.00 0.43 0.00 0.00 57.03 57.43 1rf4 h ASP 420 Cb 0.46 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.98 1rf4 h ASP 420 CO 0.02 0.75 -0.11 0.25 -1.57 0.00 0.00 179.24 178.57 1rf4 h LEU 421 N 0.96 -0.35 -1.34 1.55 5.85 -1.06 -2.02 115.31 118.91 1rf4 h LEU 421 Ca 0.24 0.06 0.13 0.00 0.84 0.00 0.00 57.88 59.16 1rf4 h LEU 421 Cb 0.08 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 1rf4 h LEU 421 CO -0.03 -0.16 0.55 -0.33 -0.34 0.00 0.00 178.44 178.13 1rf4 h GLU 422 N -0.17 0.65 0.00 1.25 4.39 -0.74 -0.24 114.58 119.72 1rf4 h GLU 422 Ca 0.06 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1rf4 h GLU 422 Cb 0.25 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1rf4 h GLU 422 CO -0.16 0.43 -0.21 0.66 -1.16 0.00 0.00 179.01 178.56 1rf4 h SER 423 N 0.67 0.00 0.20 1.42 4.64 -0.79 -3.12 113.55 116.56 1rf4 h SER 423 Ca 0.42 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.44 1rf4 h SER 423 Cb 0.68 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.79 1rf4 h SER 423 CO -0.18 0.21 -1.37 -0.07 -0.87 0.00 0.00 176.83 174.55 1rf4 h LEU 424 N 0.00 0.65 -1.26 5.97 3.38 -0.76 -3.34 115.31 119.95 1rf4 h LEU 424 Ca -0.00 -0.92 0.10 0.00 0.09 0.00 0.00 57.88 57.15 1rf4 h LEU 424 Cb 0.56 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1rf4 h LEU 424 CO 0.03 1.64 0.56 0.40 0.09 0.00 0.00 178.44 181.16 1rf4 h ILE 425 N -0.05 0.95 -2.16 1.22 2.04 -1.38 -2.95 117.51 115.17 1rf4 h ILE 425 Ca -0.26 -0.28 -0.80 0.00 1.00 0.00 0.00 64.86 64.53 1rf4 h ILE 425 Cb 1.98 0.06 -0.24 0.00 -0.74 0.00 0.00 36.82 37.88 1rf4 h ILE 425 CO 0.20 0.15 1.27 1.41 0.00 0.00 0.00 178.15 181.18 1rf4 n HIS 426 N -4.53 2.62 -1.43 1.37 8.25 -1.19 -4.86 115.22 115.45 1rf4 n HIS 426 Ca 0.15 -2.62 0.00 0.00 -0.26 0.00 0.00 57.72 54.99 1rf4 n HIS 426 Cb 0.33 -1.36 0.00 0.00 1.12 0.00 0.00 29.99 30.08 1rf4 n HIS 426 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39