#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 4.51 0.03 3.17 2.20 -1.26 -1.24 119.74 127.15 1rf4 s LYS 2 Ca 0.00 1.32 -0.05 0.00 -0.36 0.00 0.00 55.97 56.88 1rf4 s LYS 2 Cb 0.00 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1rf4 s LYS 2 CO 0.00 -0.08 0.26 -0.51 -0.36 0.00 0.00 175.35 174.66 1rf4 s LEU 3 N 1.16 4.35 0.28 5.43 1.02 -0.81 -4.98 118.68 125.14 1rf4 s LEU 3 Ca 0.49 0.50 -0.30 0.00 0.02 0.00 0.00 54.13 54.83 1rf4 s LEU 3 Cb -0.20 -2.79 -0.11 0.00 0.02 0.00 0.00 46.19 43.11 1rf4 s LEU 3 CO 0.24 0.21 1.53 -0.54 0.02 0.00 0.00 176.35 177.82 1rf4 s LYS 4 N -2.01 4.17 0.32 1.70 3.01 -1.26 -4.62 119.74 121.06 1rf4 s LYS 4 Ca 0.30 2.48 0.05 0.00 -1.01 0.00 0.00 55.97 57.79 1rf4 s LYS 4 Cb -0.13 -3.05 -0.06 0.00 -1.01 0.00 0.00 37.83 33.57 1rf4 s LYS 4 CO 0.19 -0.55 0.01 -0.08 0.51 0.00 0.00 175.35 175.43 1rf4 s THR 5 N -0.06 1.50 -1.27 2.17 -1.32 -1.26 -3.75 115.64 111.65 1rf4 s THR 5 Ca 0.61 -2.05 -0.19 0.00 -1.21 0.00 0.00 61.69 58.85 1rf4 s THR 5 Cb -0.46 -2.70 0.01 0.00 -1.51 0.00 0.00 72.50 67.85 1rf4 s THR 5 CO 0.47 -0.11 0.57 -3.20 -2.21 0.00 0.00 174.62 170.14 1rf4 n ASN 6 N -0.70 -3.08 -4.75 8.08 4.05 -0.26 -4.90 115.26 113.71 1rf4 n ASN 6 Ca -0.04 -1.16 -0.41 0.00 0.45 0.00 0.00 54.58 53.42 1rf4 n ASN 6 Cb 0.65 -2.44 -0.03 0.00 1.23 0.00 0.00 39.78 39.20 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 -3.71 3.20 -0.12 -1.44 1.10 -0.27 -4.94 121.20 115.02 1rf4 s ILE 7 Ca 0.33 1.09 0.17 0.00 -0.51 0.00 0.00 60.65 61.73 1rf4 s ILE 7 Cb -0.15 -3.70 -0.21 0.00 0.15 0.00 0.00 42.46 38.54 1rf4 s ILE 7 CO 0.93 0.22 0.52 0.54 -2.11 0.00 0.00 174.94 175.03 1rf4 n ARG 8 N 1.76 0.65 -3.60 3.50 5.12 -1.26 -4.74 116.66 118.09 1rf4 n ARG 8 Ca 0.02 0.13 -0.10 0.00 -1.93 0.00 0.00 57.85 55.97 1rf4 n ARG 8 Cb 0.43 -1.69 -0.06 0.00 -1.16 0.00 0.00 32.46 29.99 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 -2.77 -0.43 -0.19 -1.55 -3.43 -1.26 -4.46 115.29 101.20 1rf4 s HIS 9 Ca -0.06 0.89 0.00 0.00 -0.80 0.00 0.00 55.06 55.09 1rf4 s HIS 9 Cb 0.08 0.41 0.04 0.00 -1.43 0.00 0.00 32.58 31.68 1rf4 s HIS 9 CO 0.83 -0.30 -0.08 -0.51 -2.00 0.00 0.00 174.74 172.68 1rf4 s LEU 10 N -0.52 1.99 -0.02 5.38 1.43 -1.24 -4.60 118.68 121.10 1rf4 s LEU 10 Ca 0.00 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 1rf4 s LEU 10 Cb -0.02 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 45.11 1rf4 s LEU 10 CO -0.01 -0.17 -0.06 -1.00 0.23 0.00 0.00 176.35 175.34 1rf4 s HIS 11 N 1.50 0.68 0.00 0.29 3.76 -1.09 -1.28 115.29 119.16 1rf4 s HIS 11 Ca -0.00 -0.15 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 1rf4 s HIS 11 Cb -0.16 -0.51 0.00 0.00 1.11 0.00 0.00 32.58 33.02 1rf4 s HIS 11 CO -0.08 -0.08 0.00 0.41 -0.85 0.00 0.00 174.74 174.14 1rf4 n GLY 12 N 3.34 2.46 3.54 -2.22 0.00 -1.18 -4.48 105.19 106.65 1rf4 n GLY 12 Ca -0.18 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.00 4.46 -0.03 -0.61 1.01 -1.26 -1.25 121.20 121.51 1rf4 s ILE 13 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.56 1rf4 s ILE 13 Cb 0.00 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 1rf4 s ILE 13 CO 0.00 0.42 -0.18 -0.63 0.00 0.00 0.00 174.94 174.54 1rf4 s ILE 14 N 0.86 1.49 -0.46 2.92 -1.09 0.22 -4.98 121.20 120.16 1rf4 s ILE 14 Ca 0.03 -0.77 -0.02 0.00 -2.23 0.00 0.00 60.65 57.66 1rf4 s ILE 14 Cb -0.14 -1.27 0.12 0.00 -1.58 0.00 0.00 42.46 39.60 1rf4 s ILE 14 CO 0.02 0.43 0.25 -0.13 -1.23 0.00 0.00 174.94 174.28 1rf4 s ARG 15 N -0.14 2.08 0.66 2.79 0.52 -1.26 -1.67 118.95 121.93 1rf4 s ARG 15 Ca 0.00 -2.07 -0.17 0.00 -0.52 0.00 0.00 55.73 52.96 1rf4 s ARG 15 Cb -0.10 -3.56 -0.00 0.00 0.52 0.00 0.00 34.95 31.81 1rf4 s ARG 15 CO 0.01 -1.09 1.25 0.14 0.02 0.00 0.00 175.30 175.64 1rf4 s VAL 16 N 0.69 2.24 1.10 3.52 -7.23 -1.26 -5.00 120.40 114.46 1rf4 s VAL 16 Ca 0.11 0.14 -0.13 0.00 -1.81 0.00 0.00 61.98 60.30 1rf4 s VAL 16 Cb -0.22 -2.95 0.25 0.00 0.56 0.00 0.00 36.38 34.02 1rf4 s VAL 16 CO -0.04 -0.04 1.06 -2.16 -0.31 0.00 0.00 175.10 173.60 1rf4 s PRO 17 N -3.52 -0.38 0.67 4.82 0.04 -1.26 -4.51 135.00 130.85 1rf4 s PRO 17 Ca 0.79 0.63 -0.17 0.00 0.04 0.00 0.00 61.00 62.29 1rf4 s PRO 17 Cb -0.34 -1.63 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 1rf4 s PRO 17 CO 0.40 -3.30 1.05 0.41 0.04 0.00 0.00 177.00 175.59 1rf4 n GLY 18 N -0.14 -0.16 3.69 0.56 0.00 -1.26 -1.05 105.19 106.83 1rf4 n GLY 18 Ca 0.04 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.47 6.49 0.10 1.61 -1.08 0.13 -4.27 116.67 118.18 1rf4 s ASP 19 Ca 0.77 2.64 -0.18 0.00 -0.52 0.00 0.00 52.55 55.26 1rf4 s ASP 19 Cb -0.37 -2.56 -0.06 0.00 -1.46 0.00 0.00 42.92 38.47 1rf4 s ASP 19 CO 0.47 -0.96 1.59 0.50 0.52 0.00 0.00 175.17 177.28 1rf4 h LYS 20 N 8.64 0.48 -0.38 4.34 3.64 -1.91 -0.42 116.57 130.96 1rf4 h LYS 20 Ca -0.45 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 58.85 1rf4 h LYS 20 Cb 1.21 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 1rf4 h LYS 20 CO 0.94 0.57 0.14 0.77 -2.27 0.00 0.00 179.45 179.61 1rf4 h SER 21 N 0.31 0.16 -0.10 4.20 0.02 -2.00 -0.47 113.55 115.68 1rf4 h SER 21 Ca 0.09 0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.93 1rf4 h SER 21 Cb 0.32 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1rf4 h SER 21 CO 0.00 0.13 -0.44 0.40 -1.14 0.00 0.00 176.83 175.78 1rf4 h ILE 22 N 0.30 1.30 -0.56 3.27 2.04 -1.95 -2.61 117.51 119.30 1rf4 h ILE 22 Ca 0.17 -1.63 -0.03 0.00 1.00 0.00 0.00 64.86 64.37 1rf4 h ILE 22 Cb 0.15 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1rf4 h ILE 22 CO -0.17 0.52 0.22 0.28 0.00 0.00 0.00 178.15 179.00 1rf4 h SER 23 N 0.52 0.78 0.07 1.72 0.02 -0.62 0.32 113.55 116.35 1rf4 h SER 23 Ca 0.04 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1rf4 h SER 23 Cb 0.97 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 1rf4 h SER 23 CO 0.09 0.74 -0.04 0.45 -1.14 0.00 0.00 176.83 176.93 1rf4 h HIS 24 N 0.77 -0.10 -0.06 3.45 3.86 -1.03 -2.80 115.15 119.24 1rf4 h HIS 24 Ca 0.19 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.35 1rf4 h HIS 24 Cb 0.21 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1rf4 h HIS 24 CO 0.01 -0.06 -0.18 0.00 0.86 0.00 0.00 177.93 178.56 1rf4 h ARG 25 N -0.10 0.09 -0.37 2.45 3.08 -1.23 -2.29 114.38 116.01 1rf4 h ARG 25 Ca -0.01 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1rf4 h ARG 25 Cb 0.09 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1rf4 h ARG 25 CO 0.01 0.27 0.15 0.66 -1.07 0.00 0.00 179.97 179.98 1rf4 h SER 26 N 0.08 0.47 0.13 7.04 4.64 -0.66 0.17 113.55 125.42 1rf4 h SER 26 Ca 0.02 -0.04 -0.25 0.00 -0.47 0.00 0.00 61.79 61.04 1rf4 h SER 26 Cb 0.37 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1rf4 h SER 26 CO 0.02 0.43 -1.00 0.40 -0.87 0.00 0.00 176.83 175.81 1rf4 h ILE 27 N 0.52 1.32 0.10 0.95 1.08 -1.35 -1.15 117.51 118.98 1rf4 h ILE 27 Ca 0.13 -2.32 -0.00 0.00 -0.39 0.00 0.00 64.86 62.28 1rf4 h ILE 27 Cb 0.11 2.38 0.00 0.00 -3.07 0.00 0.00 36.82 36.24 1rf4 h ILE 27 CO -0.01 0.71 -0.05 0.40 -0.69 0.00 0.00 178.15 178.51 1rf4 h ILE 28 N 0.34 1.09 -0.61 -0.67 2.04 -1.10 -0.97 117.51 117.63 1rf4 h ILE 28 Ca -0.11 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 1rf4 h ILE 28 Cb 1.65 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 39.26 1rf4 h ILE 28 CO 0.19 0.18 0.17 -0.26 0.00 0.00 0.00 178.15 178.43 1rf4 h PHE 29 N -0.48 0.96 -0.37 1.37 -1.00 -0.76 -0.11 116.94 116.54 1rf4 h PHE 29 Ca -0.01 -0.09 -0.05 0.00 2.81 0.00 0.00 57.97 60.63 1rf4 h PHE 29 Cb 0.40 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 1rf4 h PHE 29 CO 0.04 0.78 0.02 0.78 -1.61 0.00 0.00 178.31 178.32 1rf4 h GLY 30 N 1.02 0.61 1.34 -1.45 0.00 -1.13 -0.90 103.07 102.55 1rf4 h GLY 30 Ca 0.20 -0.35 -0.28 0.00 0.00 0.00 0.00 47.33 46.90 1rf4 h GLY 30 CO -0.00 0.33 -1.16 1.76 0.00 0.00 0.00 176.54 177.47 1rf4 h SER 31 N 0.54 0.76 1.72 0.19 0.02 -0.51 -3.26 113.55 113.02 1rf4 h SER 31 Ca 0.12 -0.68 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 1rf4 h SER 31 Cb 0.32 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1rf4 h SER 31 CO 0.01 1.50 0.00 -0.07 -1.14 0.00 0.00 176.83 177.12 1rf4 h LEU 32 N 0.26 0.00-10.49 5.07 3.38 -0.86 -1.30 115.31 111.37 1rf4 h LEU 32 Ca -0.15 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.34 1rf4 h LEU 32 Cb 1.83 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.65 1rf4 h LEU 32 CO 0.22 0.00 0.31 0.00 0.09 0.00 0.00 178.44 179.05 1rf4 s ALA 33 N -3.24 3.04 -0.06 1.53 0.00 -0.36 -2.63 121.76 120.03 1rf4 s ALA 33 Ca 0.07 -0.58 -0.06 0.00 0.00 0.00 0.00 51.96 51.39 1rf4 s ALA 33 Cb 0.07 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 1rf4 s ALA 33 CO 0.63 -1.12 0.19 -1.21 0.00 0.00 0.00 175.76 174.24 1rf4 s GLU 34 N -5.25 3.49 0.15 0.00 2.02 -0.08 -2.48 118.70 116.55 1rf4 s GLU 34 Ca 0.57 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.42 1rf4 s GLU 34 Cb -0.11 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1rf4 s GLU 34 CO 0.48 0.73 0.00 0.41 0.02 0.00 0.00 175.26 176.90 1rf4 n GLY 35 N 1.54 -2.86 3.93 -1.39 0.00 -1.26 -1.00 105.19 104.15 1rf4 n GLY 35 Ca -0.16 -1.89 -0.28 0.00 0.00 0.00 0.00 46.02 43.69 1rf4 n GLY 35 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1rf4 s GLU 36 N -0.55 3.46 -0.02 1.61 -1.05 -1.26 -0.92 118.70 119.97 1rf4 s GLU 36 Ca 0.00 -0.49 0.06 0.00 -0.15 0.00 0.00 54.97 54.39 1rf4 s GLU 36 Cb 0.00 -2.97 -0.01 0.00 -0.44 0.00 0.00 34.13 30.70 1rf4 s GLU 36 CO 0.00 0.54 -0.19 0.99 0.95 0.00 0.00 175.26 177.55 1rf4 s THR 37 N -1.67 1.50 -0.08 1.83 2.01 0.25 -3.41 115.64 116.07 1rf4 s THR 37 Ca 0.35 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.58 1rf4 s THR 37 Cb -0.12 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.15 1rf4 s THR 37 CO 0.28 0.42 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.91 1rf4 s LYS 38 N -0.42 2.41 -0.16 4.92 1.02 -0.51 0.45 119.74 127.45 1rf4 s LYS 38 Ca 0.07 -0.66 -0.01 0.00 0.02 0.00 0.00 55.97 55.38 1rf4 s LYS 38 Cb -0.08 -1.88 -0.01 0.00 -0.52 0.00 0.00 37.83 35.34 1rf4 s LYS 38 CO -0.01 0.11 -0.11 0.08 -0.92 0.00 0.00 175.35 174.51 1rf4 s VAL 39 N 0.48 3.11 -0.04 3.17 1.01 0.61 0.87 120.40 129.60 1rf4 s VAL 39 Ca -0.17 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1rf4 s VAL 39 Cb -0.17 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1rf4 s VAL 39 CO 0.06 0.50 -0.07 -0.31 0.00 0.00 0.00 175.10 175.28 1rf4 s TYR 40 N 0.72 2.92 -1.55 5.22 1.51 0.16 -1.98 117.35 124.35 1rf4 s TYR 40 Ca -0.05 -0.00 -0.04 0.00 -1.01 0.00 0.00 57.07 55.97 1rf4 s TYR 40 Cb -0.15 -1.67 0.00 0.00 -0.11 0.00 0.00 41.96 40.03 1rf4 s TYR 40 CO 0.02 0.34 0.54 -0.25 -1.11 0.00 0.00 175.55 175.09 1rf4 n ASP 41 N 2.00 -6.04 -4.75 2.29 8.00 -1.26 -1.31 116.55 115.47 1rf4 n ASP 41 Ca -0.17 -0.26 -0.34 0.00 0.71 0.00 0.00 54.79 54.74 1rf4 n ASP 41 Cb 0.53 -4.88 0.06 0.00 -0.02 0.00 0.00 41.12 36.81 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 -3.16 2.88 -0.10 0.53 2.07 -1.26 -4.05 121.20 118.11 1rf4 s ILE 42 Ca 0.27 0.43 -0.29 0.00 -1.41 0.00 0.00 60.65 59.65 1rf4 s ILE 42 Cb -0.12 -2.98 -0.01 0.00 0.13 0.00 0.00 42.46 39.48 1rf4 s ILE 42 CO 0.33 -0.23 0.97 -0.22 -1.91 0.00 0.00 174.94 173.88 1rf4 s LEU 43 N -4.87 4.25 -0.33 8.50 1.98 -1.26 -4.58 118.68 122.36 1rf4 s LEU 43 Ca 0.70 1.48 0.10 0.00 -2.89 0.00 0.00 54.13 53.51 1rf4 s LEU 43 Cb -0.24 -3.49 0.74 0.00 0.66 0.00 0.00 46.19 43.86 1rf4 s LEU 43 CO 0.42 -0.41 1.81 0.54 -1.89 0.00 0.00 176.35 176.81 1rf4 n ARG 44 N 4.90 3.64 -0.67 1.98 1.74 -1.26 -4.75 116.66 122.24 1rf4 n ARG 44 Ca 0.07 -3.10 -0.31 0.00 -0.77 0.00 0.00 57.85 53.75 1rf4 n ARG 44 Cb 0.49 -2.21 0.18 0.00 -1.02 0.00 0.00 32.46 29.90 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 -1.09 1.67 0.43 -0.13 0.00 -1.26 -4.74 107.32 102.20 1rf4 s GLY 45 Ca 0.55 0.52 0.13 0.00 0.00 0.00 0.00 44.72 45.92 1rf4 s GLY 45 CO 0.13 0.97 1.98 0.83 0.00 0.00 0.00 173.10 177.01 1rf4 h GLU 46 N -1.97 0.43 -0.69 2.90 4.39 -0.95 -2.37 114.58 116.32 1rf4 h GLU 46 Ca -0.45 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.16 1rf4 h GLU 46 Cb 1.28 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 1rf4 h GLU 46 CO 0.42 0.29 0.19 -0.44 -1.16 0.00 0.00 179.01 178.31 1rf4 h ASP 47 N 0.44 1.02 0.18 1.42 3.45 -1.78 -0.87 116.42 120.27 1rf4 h ASP 47 Ca 0.27 -0.20 -0.15 0.00 0.43 0.00 0.00 57.03 57.39 1rf4 h ASP 47 Cb 0.49 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.99 1rf4 h ASP 47 CO -0.08 0.96 -0.54 0.58 -1.57 0.00 0.00 179.24 178.59 1rf4 h VAL 48 N 1.04 1.34 -0.67 -1.35 2.07 -1.68 -2.24 116.25 114.76 1rf4 h VAL 48 Ca 0.22 -1.81 -0.07 0.00 0.82 0.00 0.00 66.70 65.86 1rf4 h VAL 48 Cb 0.33 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1rf4 h VAL 48 CO -0.00 0.55 0.15 -0.07 0.02 0.00 0.00 177.57 178.21 1rf4 h LEU 49 N 0.30 1.02 -0.45 2.57 3.38 -1.18 -1.13 115.31 119.83 1rf4 h LEU 49 Ca 0.01 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1rf4 h LEU 49 Cb 1.04 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1rf4 h LEU 49 CO 0.09 0.99 0.25 0.28 0.09 0.00 0.00 178.44 180.14 1rf4 h SER 50 N 1.02 0.39 -0.32 -0.43 0.02 -0.84 -0.40 113.55 112.98 1rf4 h SER 50 Ca 0.21 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1rf4 h SER 50 Cb 0.38 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1rf4 h SER 50 CO 0.00 0.28 0.19 0.74 -1.14 0.00 0.00 176.83 176.90 1rf4 h THR 51 N 0.50 1.05 -0.21 -2.27 2.02 -0.91 -0.94 112.91 112.14 1rf4 h THR 51 Ca 0.18 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.27 1rf4 h THR 51 Cb 0.05 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1rf4 h THR 51 CO -0.10 0.07 -0.01 0.24 0.37 0.00 0.00 175.52 176.09 1rf4 h MET 52 N 0.39 0.05 -0.72 6.66 2.07 -0.61 -2.38 114.93 120.40 1rf4 h MET 52 Ca 0.12 -0.00 -0.04 0.00 -2.07 0.00 0.00 59.70 57.71 1rf4 h MET 52 Cb -0.01 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.67 1rf4 h MET 52 CO -0.05 0.03 0.29 0.37 1.07 0.00 0.00 176.91 178.62 1rf4 h GLN 53 N 0.05 1.06 -0.25 1.72 5.75 -0.85 -1.59 115.11 121.01 1rf4 h GLN 53 Ca 0.10 -0.18 0.06 0.00 -0.15 0.00 0.00 58.65 58.48 1rf4 h GLN 53 Cb 0.13 -0.18 -0.06 0.00 1.07 0.00 0.00 27.48 28.45 1rf4 h GLN 53 CO -0.18 0.86 -0.13 0.28 -2.65 0.00 0.00 178.83 177.01 1rf4 h VAL 54 N 1.04 0.60 -0.05 2.39 2.07 -0.69 1.00 116.25 122.62 1rf4 h VAL 54 Ca 0.24 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.68 1rf4 h VAL 54 Cb 0.19 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1rf4 h VAL 54 CO -0.02 0.00 -0.38 -0.26 0.02 0.00 0.00 177.57 176.93 1rf4 h PHE 55 N -0.10 0.11 -0.69 1.57 -1.00 -1.16 -1.54 116.94 114.13 1rf4 h PHE 55 Ca 0.13 -0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.82 1rf4 h PHE 55 Cb 0.30 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.81 1rf4 h PHE 55 CO -0.31 0.46 0.18 0.00 -1.61 0.00 0.00 178.31 177.03 1rf4 h ARG 56 N 0.08 1.10 0.00 1.51 3.08 -0.34 0.89 114.38 120.71 1rf4 h ARG 56 Ca 0.01 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 1rf4 h ARG 56 Cb 0.71 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1rf4 h ARG 56 CO 0.05 0.97 -0.13 -0.44 -1.07 0.00 0.00 179.97 179.36 1rf4 h ASP 57 N 1.04 0.00 -0.18 7.04 3.45 -0.16 0.38 116.42 127.98 1rf4 h ASP 57 Ca 0.22 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.68 1rf4 h ASP 57 Cb 0.36 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 1rf4 h ASP 57 CO 0.00 0.13 0.00 0.18 -1.57 0.00 0.00 179.24 177.98 1rf4 n LEU 58 N -4.03 1.07 0.00 1.55 4.32 -0.54 -4.20 117.00 115.17 1rf4 n LEU 58 Ca -0.02 -0.53 0.00 0.00 -0.02 0.00 0.00 56.01 55.43 1rf4 n LEU 58 Cb 0.21 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 1rf4 n LEU 58 CO 0.33 0.25 0.00 0.61 -1.22 0.00 0.00 177.39 177.36 1rf4 n GLY 59 N 0.75 0.73 3.73 -0.72 0.00 0.12 -1.20 105.19 108.59 1rf4 n GLY 59 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.59 4.88 -0.24 1.61 1.01 0.20 -4.98 120.40 120.29 1rf4 s VAL 60 Ca 0.00 1.64 -0.25 0.00 0.00 0.00 0.00 61.98 63.37 1rf4 s VAL 60 Cb 0.00 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 1rf4 s VAL 60 CO 0.00 0.28 0.85 -1.61 0.00 0.00 0.00 175.10 174.61 1rf4 s GLU 61 N 0.50 4.20 -0.26 2.72 2.02 -1.26 -3.76 118.70 122.85 1rf4 s GLU 61 Ca 0.41 0.98 -0.01 0.00 0.02 0.00 0.00 54.97 56.37 1rf4 s GLU 61 Cb -0.19 -3.64 0.08 0.00 0.10 0.00 0.00 34.13 30.47 1rf4 s GLU 61 CO 0.22 -0.52 0.04 0.42 0.02 0.00 0.00 175.26 175.45 1rf4 s ILE 62 N 2.83 0.99 -0.19 -1.63 1.01 -1.26 -1.96 121.20 120.99 1rf4 s ILE 62 Ca 0.36 -1.16 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 1rf4 s ILE 62 Cb -0.15 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.71 1rf4 s ILE 62 CO 0.07 -0.41 0.12 -0.70 0.00 0.00 0.00 174.94 174.03 1rf4 s GLU 63 N 1.60 4.07 -0.39 2.79 2.12 0.09 -4.93 118.70 124.05 1rf4 s GLU 63 Ca 0.03 -0.24 -0.05 0.00 0.36 0.00 0.00 54.97 55.08 1rf4 s GLU 63 Cb -0.18 -3.35 0.09 0.00 0.26 0.00 0.00 34.13 30.94 1rf4 s GLU 63 CO -0.15 0.35 0.17 0.34 -0.54 0.00 0.00 175.26 175.43 1rf4 s ASP 64 N 0.21 5.29 -0.02 -1.70 3.68 -1.26 -0.04 116.67 122.83 1rf4 s ASP 64 Ca 0.08 -1.68 0.00 0.00 2.13 0.00 0.00 52.55 53.09 1rf4 s ASP 64 Cb -0.11 -1.85 0.02 0.00 -1.45 0.00 0.00 42.92 39.52 1rf4 s ASP 64 CO -0.01 -0.47 -0.00 -0.75 0.13 0.00 0.00 175.17 174.06 1rf4 s LYS 65 N 1.26 0.23 -1.50 4.34 2.20 -0.43 -4.86 119.74 120.98 1rf4 s LYS 65 Ca 0.03 0.04 -0.08 0.00 -0.36 0.00 0.00 55.97 55.61 1rf4 s LYS 65 Cb -0.22 -0.37 0.06 0.00 -1.51 0.00 0.00 37.83 35.79 1rf4 s LYS 65 CO -0.01 -0.08 0.67 -0.25 -0.36 0.00 0.00 175.35 175.31 1rf4 n ASP 66 N 3.81 -2.14 0.00 1.43 8.00 -1.26 -1.05 116.55 125.34 1rf4 n ASP 66 Ca -0.23 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1rf4 n ASP 66 Cb 0.53 -3.27 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 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 -1.72 0.37 3.25 0.44 0.00 -1.26 -5.00 105.19 101.26 1rf4 n GLY 67 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.84 1.99 -0.19 1.61 1.01 -0.21 -4.43 120.40 118.34 1rf4 s VAL 68 Ca 0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 61.98 60.81 1rf4 s VAL 68 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1rf4 s VAL 68 CO 0.00 0.55 0.35 -0.63 0.00 0.00 0.00 175.10 175.37 1rf4 s ILE 69 N -0.07 5.24 -0.15 2.22 -1.09 -0.84 -1.31 121.20 125.21 1rf4 s ILE 69 Ca -0.06 0.62 0.02 0.00 -2.23 0.00 0.00 60.65 59.00 1rf4 s ILE 69 Cb -0.14 -3.68 0.01 0.00 -1.58 0.00 0.00 42.46 37.06 1rf4 s ILE 69 CO 0.04 0.30 -0.21 -0.89 -1.23 0.00 0.00 174.94 172.95 1rf4 s THR 70 N 1.05 2.14 -0.13 2.92 2.01 0.94 -0.28 115.64 124.28 1rf4 s THR 70 Ca 0.17 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.24 1rf4 s THR 70 Cb -0.14 -1.87 -0.00 0.00 0.01 0.00 0.00 72.50 70.50 1rf4 s THR 70 CO 0.07 0.54 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.68 1rf4 s VAL 71 N 0.91 2.60 -0.63 3.82 1.01 0.17 -0.73 120.40 127.55 1rf4 s VAL 71 Ca -0.04 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 1rf4 s VAL 71 Cb -0.15 -2.07 0.12 0.00 0.00 0.00 0.00 36.38 34.28 1rf4 s VAL 71 CO -0.04 0.53 0.71 -1.10 0.00 0.00 0.00 175.10 175.20 1rf4 s GLN 72 N 0.57 3.12 0.55 2.72 -1.52 -0.83 -0.58 119.66 123.69 1rf4 s GLN 72 Ca -0.10 -1.49 -0.20 0.00 -1.95 0.00 0.00 55.36 51.61 1rf4 s GLN 72 Cb -0.16 -4.33 -0.06 0.00 -0.22 0.00 0.00 33.01 28.24 1rf4 s GLN 72 CO 0.04 -1.51 1.06 0.41 -0.25 0.00 0.00 175.29 175.03 1rf4 n GLY 73 N 5.18 -0.06 0.54 3.09 0.00 -0.10 -4.34 105.19 109.51 1rf4 n GLY 73 Ca -0.06 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.33 0.26 0.00 1.61 0.24 -0.49 -4.36 118.33 114.26 1rf4 n VAL 74 Ca 0.12 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1rf4 n VAL 74 Cb 0.45 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 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 0.66 2.30 0.00 7.63 0.00 -1.03 -3.38 105.19 111.36 1rf4 n GLY 75 Ca 0.09 -0.70 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 -1.03 1.61 1.56 -1.08 -4.12 117.12 114.06 1rf4 n MET 76 Ca 0.00 0.00 0.03 0.00 -0.27 0.00 0.00 57.70 57.46 1rf4 n MET 76 Cb 0.00 0.00 0.03 0.00 2.15 0.00 0.00 33.22 35.40 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 2.30 0.83 -5.12 0.00 -1.26 -4.87 120.51 112.38 1rf4 n ALA 77 Ca 0.00 -1.92 0.12 0.00 0.00 0.00 0.00 53.44 51.63 1rf4 n ALA 77 Cb 0.00 -0.62 0.12 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 0.15 1.12 3.77 0.00 0.00 -1.22 -4.97 105.19 104.04 1rf4 n GLY 78 Ca 0.05 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.85 4.16 0.12 0.99 1.02 -1.26 -4.91 118.68 116.95 1rf4 s LEU 79 Ca 0.30 2.20 0.10 0.00 0.02 0.00 0.00 54.13 56.75 1rf4 s LEU 79 Cb 0.20 -4.11 -0.04 0.00 0.02 0.00 0.00 46.19 42.27 1rf4 s LEU 79 CO 0.30 -0.61 -0.26 -0.54 0.02 0.00 0.00 176.35 175.26 1rf4 s LYS 80 N -2.40 1.37 0.12 1.70 1.02 -0.35 -4.95 119.74 116.26 1rf4 s LYS 80 Ca 0.58 -1.30 -0.35 0.00 0.02 0.00 0.00 55.97 54.91 1rf4 s LYS 80 Cb -0.27 -1.81 -0.16 0.00 -0.52 0.00 0.00 37.83 35.07 1rf4 s LYS 80 CO 0.33 0.43 1.32 0.00 -0.92 0.00 0.00 175.35 176.52 1rf4 n ALA 81 N 0.99 -0.65 -1.75 5.17 0.00 -1.26 -4.45 120.51 118.56 1rf4 n ALA 81 Ca -0.18 0.50 -0.32 0.00 0.00 0.00 0.00 53.44 53.43 1rf4 n ALA 81 Cb 0.53 -2.10 -0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 0.30 3.58 0.16 0.00 0.04 -1.26 -4.91 135.00 132.90 1rf4 s PRO 82 Ca 0.81 1.02 -0.09 0.00 0.04 0.00 0.00 61.00 62.78 1rf4 s PRO 82 Cb -0.90 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 31.57 1rf4 s PRO 82 CO 0.47 -0.59 1.48 -0.56 0.04 0.00 0.00 177.00 177.85 1rf4 h GLN 83 N 0.42 0.85 -5.06 4.56 -0.00 -1.92 -3.46 115.11 110.50 1rf4 h GLN 83 Ca -0.46 -0.47 -0.56 0.00 -0.00 0.00 0.00 58.65 57.16 1rf4 h GLN 83 Cb 1.20 0.02 -0.13 0.00 -0.00 0.00 0.00 27.48 28.57 1rf4 h GLN 83 CO 0.60 1.11 -0.52 -0.80 -0.00 0.00 0.00 178.83 179.21 1rf4 s ASN 84 N -6.87 2.85 0.52 0.06 0.01 -1.26 -5.13 114.94 105.13 1rf4 s ASN 84 Ca -0.10 -1.66 -0.22 0.00 -0.71 0.00 0.00 52.86 50.17 1rf4 s ASN 84 Cb 0.11 0.47 -0.06 0.00 0.41 0.00 0.00 41.25 42.19 1rf4 s ASN 84 CO 0.87 -0.91 1.31 0.00 -1.51 0.00 0.00 177.10 176.87 1rf4 s ALA 85 N -3.19 2.87 -0.18 0.60 0.00 -1.26 -4.87 121.76 115.72 1rf4 s ALA 85 Ca 0.23 1.24 -0.28 0.00 0.00 0.00 0.00 51.96 53.15 1rf4 s ALA 85 Cb 0.03 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 1rf4 s ALA 85 CO 0.14 -1.19 0.96 -0.51 0.00 0.00 0.00 175.76 175.16 1rf4 s LEU 86 N -3.38 4.16 -0.58 0.00 1.43 -0.05 -4.95 118.68 115.31 1rf4 s LEU 86 Ca 0.69 1.35 -0.22 0.00 -1.03 0.00 0.00 54.13 54.92 1rf4 s LEU 86 Cb -0.38 -3.44 0.06 0.00 0.03 0.00 0.00 46.19 42.46 1rf4 s LEU 86 CO 0.45 -0.52 0.84 0.21 0.23 0.00 0.00 176.35 177.55 1rf4 s ASN 87 N 1.17 6.24 0.00 2.29 3.84 -1.26 -1.73 114.94 125.49 1rf4 s ASN 87 Ca 0.43 -0.83 0.28 0.00 0.21 0.00 0.00 52.86 52.95 1rf4 s ASN 87 Cb -0.16 -2.38 1.08 0.00 -0.55 0.00 0.00 41.25 39.24 1rf4 s ASN 87 CO 0.11 -1.20 1.76 0.23 -2.79 0.00 0.00 177.10 175.21 1rf4 n MET 88 N 7.09 1.63 0.00 0.43 2.81 0.02 -4.79 117.12 124.30 1rf4 n MET 88 Ca -0.03 -0.91 0.00 0.00 -1.81 0.00 0.00 57.70 54.94 1rf4 n MET 88 Cb 0.46 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 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 1.16 2.94 0.88 3.03 0.00 -1.25 -1.21 105.19 110.75 1rf4 n GLY 89 Ca 0.19 0.27 0.10 0.00 0.00 0.00 0.00 46.02 46.59 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 4.80 2.87 -4.57 1.61 2.85 -1.26 -0.19 115.26 121.38 1rf4 n ASN 90 Ca 0.00 -1.88 -0.42 0.00 -0.11 0.00 0.00 54.58 52.17 1rf4 n ASN 90 Cb 0.00 -0.06 -0.03 0.00 1.24 0.00 0.00 39.78 40.93 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 -1.63 6.36 0.11 1.20 0.15 -0.35 -4.80 113.70 114.74 1rf4 s SER 91 Ca 0.27 -0.09 -0.14 0.00 0.70 0.00 0.00 55.95 56.69 1rf4 s SER 91 Cb 0.18 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.89 1rf4 s SER 91 CO 0.26 -1.57 1.49 1.23 1.20 0.00 0.00 173.24 175.85 1rf4 h GLY 92 N 12.18 0.80 0.54 9.45 0.00 -1.93 -2.95 103.07 121.17 1rf4 h GLY 92 Ca -0.26 -0.72 0.09 0.00 0.00 0.00 0.00 47.33 46.45 1rf4 h GLY 92 CO 1.21 0.65 0.46 -0.84 0.00 0.00 0.00 176.54 178.02 1rf4 h THR 93 N 0.52 0.92 0.90 4.70 2.02 -1.97 -1.76 112.91 118.24 1rf4 h THR 93 Ca 0.08 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1rf4 h THR 93 Cb 0.70 0.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1rf4 h THR 93 CO 0.05 0.14 -0.43 0.28 0.37 0.00 0.00 175.52 175.93 1rf4 h SER 94 N 0.79 -1.03 -0.82 4.18 0.02 -1.88 -1.20 113.55 113.61 1rf4 h SER 94 Ca 0.39 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.35 1rf4 h SER 94 Cb 0.34 0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 1rf4 h SER 94 CO -0.24 -0.70 0.42 -0.29 -1.14 0.00 0.00 176.83 174.88 1rf4 h ILE 95 N -1.27 1.25 -0.02 3.27 2.10 -1.44 0.12 117.51 121.51 1rf4 h ILE 95 Ca -0.12 -0.66 -0.01 0.00 1.08 0.00 0.00 64.86 65.15 1rf4 h ILE 95 Cb 0.93 0.17 -0.00 0.00 -1.09 0.00 0.00 36.82 36.84 1rf4 h ILE 95 CO 0.20 0.29 -0.02 0.03 -1.08 0.00 0.00 178.15 177.57 1rf4 h ARG 96 N 1.16 0.05 -0.45 2.19 3.08 -1.36 -1.85 114.38 117.20 1rf4 h ARG 96 Ca 0.29 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.21 1rf4 h ARG 96 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1rf4 h ARG 96 CO -0.04 0.52 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.21 1rf4 h LEU 97 N -0.42 0.87 -1.68 3.04 3.38 -1.18 -2.87 115.31 116.45 1rf4 h LEU 97 Ca 0.00 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1rf4 h LEU 97 Cb 0.52 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1rf4 h LEU 97 CO 0.01 1.03 -0.09 0.40 0.09 0.00 0.00 178.44 179.87 1rf4 h ILE 98 N 0.70 0.30 -0.19 1.22 2.04 -0.82 -1.44 117.51 119.32 1rf4 h ILE 98 Ca 0.11 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1rf4 h ILE 98 Cb 0.65 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1rf4 h ILE 98 CO 0.04 0.09 -0.12 0.28 0.00 0.00 0.00 178.15 178.45 1rf4 h SER 99 N 0.00 0.28 0.51 1.72 0.02 -1.09 -0.62 113.55 114.38 1rf4 h SER 99 Ca -0.00 -0.06 -0.30 0.00 -0.84 0.00 0.00 61.79 60.59 1rf4 h SER 99 Cb 0.46 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.94 1rf4 h SER 99 CO 0.01 0.43 -1.36 1.23 -1.14 0.00 0.00 176.83 176.01 1rf4 h GLY 100 N 0.78 0.38 0.85 -3.77 0.00 -1.33 -3.19 103.07 96.79 1rf4 h GLY 100 Ca 0.06 -0.98 0.04 0.00 0.00 0.00 0.00 47.33 46.45 1rf4 h GLY 100 CO 0.02 0.86 0.61 -2.08 0.00 0.00 0.00 176.54 175.95 1rf4 h VAL 101 N 0.09 1.14 -0.07 4.60 2.07 -0.69 -1.77 116.25 121.62 1rf4 h VAL 101 Ca -0.18 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1rf4 h VAL 101 Cb 2.03 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1rf4 h VAL 101 CO 0.21 0.21 0.00 0.18 0.02 0.00 0.00 177.57 178.20 1rf4 n LEU 102 N -4.50 0.74 0.09 2.57 4.77 -0.30 -4.18 117.00 116.20 1rf4 n LEU 102 Ca 0.13 -0.31 0.20 0.00 -0.03 0.00 0.00 56.01 56.01 1rf4 n LEU 102 Cb 0.11 -0.04 0.73 0.00 -2.33 0.00 0.00 43.42 41.89 1rf4 n LEU 102 CO 0.34 0.15 1.18 0.00 -1.33 0.00 0.00 177.39 177.73 1rf4 h ALA 103 N 3.82 2.12 -0.39 -1.18 0.00 -1.30 0.81 119.26 123.13 1rf4 h ALA 103 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rf4 h ALA 103 Cb 0.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1rf4 h ALA 103 CO 0.00 -0.70 0.00 0.41 0.00 0.00 0.00 179.25 178.96 1rf4 n GLY 104 N -1.49 2.28 3.69 0.00 0.00 -1.26 -2.36 105.19 106.05 1rf4 n GLY 104 Ca 0.08 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.04 3.55 -1.31 4.61 0.00 0.28 -4.39 121.76 123.46 1rf4 s ALA 105 Ca 0.29 0.82 -0.06 0.00 0.00 0.00 0.00 51.96 53.01 1rf4 s ALA 105 Cb 0.15 -3.57 0.13 0.00 0.00 0.00 0.00 23.12 19.84 1rf4 s ALA 105 CO 0.21 -0.85 2.32 -3.47 0.00 0.00 0.00 175.76 173.96 1rf4 n ASP 106 N 5.24 7.75 -3.62 0.00 2.03 -1.26 -1.22 116.55 125.46 1rf4 n ASP 106 Ca 0.12 -3.15 -0.02 0.00 0.52 0.00 0.00 54.79 52.26 1rf4 n ASP 106 Cb 0.44 -1.37 -0.01 0.00 -0.72 0.00 0.00 41.12 39.46 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 -1.09 -0.11 -0.12 -0.67 -0.12 -1.26 -5.01 117.98 109.59 1rf4 s PHE 107 Ca 0.52 -0.01 -0.04 0.00 -0.05 0.00 0.00 56.93 57.35 1rf4 s PHE 107 Cb 0.18 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 43.08 1rf4 s PHE 107 CO -0.08 -0.37 0.04 -2.00 -0.05 0.00 0.00 175.22 172.76 1rf4 s GLU 108 N -2.63 3.36 0.08 1.99 2.12 -1.26 -3.16 118.70 119.20 1rf4 s GLU 108 Ca 0.11 -0.35 0.03 0.00 0.36 0.00 0.00 54.97 55.12 1rf4 s GLU 108 Cb 0.01 -2.98 -0.03 0.00 0.26 0.00 0.00 34.13 31.40 1rf4 s GLU 108 CO -0.04 0.58 -0.08 0.54 -0.54 0.00 0.00 175.26 175.72 1rf4 s VAL 109 N -0.52 0.73 0.03 3.70 0.11 0.97 -4.95 120.40 120.47 1rf4 s VAL 109 Ca 0.10 -1.52 0.01 0.00 -2.93 0.00 0.00 61.98 57.63 1rf4 s VAL 109 Cb -0.12 -1.18 -0.04 0.00 -1.53 0.00 0.00 36.38 33.51 1rf4 s VAL 109 CO 0.02 -0.58 0.10 -0.70 -3.33 0.00 0.00 175.10 170.60 1rf4 s GLU 110 N -2.65 3.05 -0.11 1.54 2.12 -1.26 -0.32 118.70 121.07 1rf4 s GLU 110 Ca 0.02 -0.55 -0.02 0.00 0.36 0.00 0.00 54.97 54.78 1rf4 s GLU 110 Cb -0.03 -2.84 0.04 0.00 0.26 0.00 0.00 34.13 31.56 1rf4 s GLU 110 CO -0.01 0.62 0.03 -1.64 -0.54 0.00 0.00 175.26 173.72 1rf4 s MET 111 N -2.04 0.42 0.37 4.30 -1.94 0.54 -0.87 119.30 120.08 1rf4 s MET 111 Ca 0.26 0.01 0.07 0.00 -1.71 0.00 0.00 55.69 54.32 1rf4 s MET 111 Cb -0.12 -1.27 -0.07 0.00 2.01 0.00 0.00 34.83 35.37 1rf4 s MET 111 CO 0.18 -0.44 -0.01 -0.59 -0.01 0.00 0.00 175.02 174.15 1rf4 s PHE 112 N 2.01 2.38 0.36 -0.03 -0.71 -0.71 -0.18 117.98 121.10 1rf4 s PHE 112 Ca 0.03 -0.67 -0.00 0.00 -1.04 0.00 0.00 56.93 55.25 1rf4 s PHE 112 Cb -0.14 -1.58 0.00 0.00 -1.21 0.00 0.00 43.02 40.10 1rf4 s PHE 112 CO -0.06 0.41 0.47 0.20 -1.34 0.00 0.00 175.22 174.90 1rf4 s GLY 113 N -3.64 1.70 0.25 1.99 0.00 -1.26 -0.80 107.32 105.56 1rf4 s GLY 113 Ca 0.34 -1.65 -0.04 0.00 0.00 0.00 0.00 44.72 43.37 1rf4 s GLY 113 CO 0.17 -1.08 0.24 2.09 0.00 0.00 0.00 173.10 174.53 1rf4 n ASP 114 N -1.60 -0.94 -0.16 1.64 3.85 0.73 -4.61 116.55 115.46 1rf4 n ASP 114 Ca 0.02 -0.75 -0.03 0.00 -0.71 0.00 0.00 54.79 53.32 1rf4 n ASP 114 Cb 0.61 -0.21 0.06 0.00 -1.35 0.00 0.00 41.12 40.23 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 -1.14 0.17 0.13 -1.12 -0.00 -1.99 -1.74 116.42 110.74 1rf4 h ASP 115 Ca -0.09 0.06 -0.01 0.00 -0.00 0.00 0.00 57.03 57.00 1rf4 h ASP 115 Cb 0.26 0.05 0.00 0.00 -0.00 0.00 0.00 39.33 39.64 1rf4 h ASP 115 CO 0.06 0.13 -0.06 -1.28 -0.00 0.00 0.00 179.24 178.08 1rf4 h SER 116 N 0.35 -0.15 -0.38 4.15 0.87 -1.91 -3.12 113.55 113.36 1rf4 h SER 116 Ca 0.24 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1rf4 h SER 116 Cb 0.26 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1rf4 h SER 116 CO -0.25 0.02 0.16 0.25 -0.53 0.00 0.00 176.83 176.49 1rf4 h LEU 117 N -0.32 0.56 0.00 2.23 7.12 -1.76 -2.32 115.31 120.82 1rf4 h LEU 117 Ca -0.02 -0.06 0.00 0.00 0.13 0.00 0.00 57.88 57.93 1rf4 h LEU 117 Cb 0.26 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.24 1rf4 h LEU 117 CO 0.03 0.52 0.00 -1.20 -0.13 0.00 0.00 178.44 177.66 1rf4 n SER 118 N -4.36 0.00 -0.67 1.25 7.64 -0.67 -2.00 113.62 114.82 1rf4 n SER 118 Ca 0.03 0.04 0.10 0.00 1.01 0.00 0.00 58.87 60.05 1rf4 n SER 118 Cb 0.16 -0.25 0.05 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.25 1.66 -3.74 1.43 5.02 -0.87 -4.11 118.16 116.30 1rf4 n LYS 119 Ca 0.06 -1.42 -0.36 0.00 -2.02 0.00 0.00 58.31 54.57 1rf4 n LYS 119 Cb 0.09 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.80 3.85 0.27 1.97 0.52 -0.84 -5.05 118.95 117.87 1rf4 s ARG 120 Ca 0.21 -0.08 -0.30 0.00 -0.52 0.00 0.00 55.73 55.04 1rf4 s ARG 120 Cb 0.16 -3.30 -0.11 0.00 0.52 0.00 0.00 34.95 32.22 1rf4 s ARG 120 CO 0.32 0.53 1.49 -1.25 0.02 0.00 0.00 175.30 176.41 1rf4 s PRO 121 N -0.35 4.22 0.00 3.54 0.04 -1.26 -4.27 135.00 136.92 1rf4 s PRO 121 Ca 0.14 2.40 0.04 0.00 0.04 0.00 0.00 61.00 63.61 1rf4 s PRO 121 Cb -0.12 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.37 1rf4 s PRO 121 CO 0.03 -0.48 0.57 -1.33 0.04 0.00 0.00 177.00 175.83 1rf4 n MET 122 N 2.14 0.31 -0.04 4.56 2.81 -0.90 -4.62 117.12 121.38 1rf4 n MET 122 Ca 0.07 -0.65 0.07 0.00 -1.81 0.00 0.00 57.70 55.37 1rf4 n MET 122 Cb 0.39 -1.03 0.45 0.00 -0.71 0.00 0.00 33.22 32.32 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 0.70 0.44 0.02 7.83 2.03 -1.47 0.97 116.42 126.93 1rf4 h ASP 123 Ca 0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1rf4 h ASP 123 Cb 0.16 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 1rf4 h ASP 123 CO 0.00 0.30 0.00 0.08 -1.03 0.00 0.00 179.24 178.59 1rf4 h ARG 124 N 0.51 0.00 0.00 4.15 0.11 -1.85 -1.30 114.38 116.00 1rf4 h ARG 124 Ca 0.20 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.21 1rf4 h ARG 124 Cb 0.17 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.24 1rf4 h ARG 124 CO -0.05 0.00 -1.32 1.55 0.10 0.00 0.00 179.97 180.24 1rf4 n VAL 125 N -2.45 0.28 -0.01 0.08 3.14 0.15 -4.64 118.33 114.88 1rf4 n VAL 125 Ca -0.02 -0.20 -0.14 0.00 -2.96 0.00 0.00 64.34 61.03 1rf4 n VAL 125 Cb 0.05 -0.66 -0.02 0.00 -1.06 0.00 0.00 33.84 32.14 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 1.31 0.16 1.55 1.35 -0.71 -2.61 112.91 113.97 1rf4 h THR 126 Ca -0.11 -1.97 0.02 0.00 -0.55 0.00 0.00 66.41 63.79 1rf4 h THR 126 Cb 1.13 1.95 -0.04 0.00 -1.73 0.00 0.00 68.15 69.46 1rf4 h THR 126 CO 0.01 0.62 -0.39 0.25 -0.25 0.00 0.00 175.52 175.75 1rf4 h LEU 127 N 0.47 -1.13 -0.75 3.87 6.46 -1.50 0.94 115.31 123.67 1rf4 h LEU 127 Ca -0.03 0.12 -0.13 0.00 -0.12 0.00 0.00 57.88 57.72 1rf4 h LEU 127 Cb 1.31 0.42 -0.01 0.00 -0.73 0.00 0.00 40.66 41.65 1rf4 h LEU 127 CO 0.14 -0.48 -0.58 1.55 -0.62 0.00 0.00 178.44 178.45 1rf4 h PRO 128 N -0.65 0.14 -0.17 5.25 0.13 -1.82 -3.06 132.00 131.82 1rf4 h PRO 128 Ca 0.02 -0.09 -0.08 0.00 -0.87 0.00 0.00 66.00 64.97 1rf4 h PRO 128 Cb 0.66 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1rf4 h PRO 128 CO -0.20 0.68 -0.27 -0.07 -0.23 0.00 0.00 178.00 177.91 1rf4 h LEU 129 N 0.10 0.32 -1.29 1.56 4.07 -1.18 -2.08 115.31 116.82 1rf4 h LEU 129 Ca -0.00 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 57.82 1rf4 h LEU 129 Cb 1.05 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.70 1rf4 h LEU 129 CO 0.08 0.59 -0.15 0.11 -1.08 0.00 0.00 178.44 177.99 1rf4 h LYS 130 N 0.29 0.00 0.00 1.13 1.57 -0.72 -2.33 116.57 116.51 1rf4 h LYS 130 Ca 0.04 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1rf4 h LYS 130 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1rf4 h LYS 130 CO 0.05 0.15 -0.35 0.87 -0.57 0.00 0.00 179.45 179.60 1rf4 h LYS 131 N 0.00 0.00 -0.00 3.15 1.57 -1.32 -2.67 116.57 117.30 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 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1rf4 h LYS 131 CO 0.02 0.35 -0.16 -1.33 -0.57 0.00 0.00 179.45 177.76 1rf4 n MET 132 N -3.81 0.19 0.00 3.15 2.81 -0.92 -4.87 117.12 113.68 1rf4 n MET 132 Ca -0.01 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 1rf4 n MET 132 Cb 0.43 -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 1.43 0.87 3.78 3.03 0.00 -1.01 -0.51 105.19 112.78 1rf4 n GLY 133 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 4.14 -0.34 1.61 1.01 -0.96 -4.67 120.40 119.19 1rf4 s VAL 134 Ca 0.00 1.80 -0.09 0.00 0.00 0.00 0.00 61.98 63.70 1rf4 s VAL 134 Cb 0.00 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1rf4 s VAL 134 CO 0.00 0.17 0.14 -0.55 0.00 0.00 0.00 175.10 174.86 1rf4 s SER 135 N -1.55 5.45 -0.04 3.32 0.15 -0.37 -4.02 113.70 116.63 1rf4 s SER 135 Ca 0.50 -0.90 -0.04 0.00 0.70 0.00 0.00 55.95 56.21 1rf4 s SER 135 Cb -0.20 -1.94 0.01 0.00 -1.71 0.00 0.00 66.02 62.18 1rf4 s SER 135 CO 0.25 -0.30 0.12 -0.63 1.20 0.00 0.00 173.24 173.89 1rf4 s ILE 136 N 1.51 -0.00 -0.03 6.45 1.01 -1.26 -0.40 121.20 128.47 1rf4 s ILE 136 Ca 0.01 0.01 -0.20 0.00 0.00 0.00 0.00 60.65 60.47 1rf4 s ILE 136 Cb -0.18 -0.17 0.04 0.00 0.01 0.00 0.00 42.46 42.15 1rf4 s ILE 136 CO 0.05 0.00 0.43 -0.94 0.00 0.00 0.00 174.94 174.48 1rf4 s SER 137 N 0.12 -0.35 0.00 3.58 1.04 -0.87 -5.00 113.70 112.22 1rf4 s SER 137 Ca -0.00 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.74 1rf4 s SER 137 Cb -0.01 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1rf4 s SER 137 CO -0.00 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1rf4 n GLY 138 N 1.21 5.40 3.72 7.32 0.00 -1.26 -1.49 105.19 120.08 1rf4 n GLY 138 Ca -0.21 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 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 0.35 4.46 0.34 1.61 -1.52 0.44 -4.69 119.66 120.66 1rf4 s GLN 139 Ca 0.00 1.00 0.00 0.00 -1.95 0.00 0.00 55.36 54.41 1rf4 s GLN 139 Cb 0.00 -3.44 0.00 0.00 -0.22 0.00 0.00 33.01 29.35 1rf4 s GLN 139 CO 0.00 0.07 0.00 0.25 -0.25 0.00 0.00 175.29 175.36 1rf4 n THR 140 N 3.71 0.00 0.31 -0.19 -2.24 -1.26 -0.77 114.28 113.84 1rf4 n THR 140 Ca -0.00 0.25 0.18 0.00 -2.27 0.00 0.00 64.05 62.21 1rf4 n THR 140 Cb 0.51 -0.63 1.02 0.00 -2.10 0.00 0.00 70.33 69.13 1rf4 n THR 140 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1rf4 h GLU 141 N -1.07 0.00 0.00 -0.78 4.11 -2.01 -0.42 114.58 114.40 1rf4 h GLU 141 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1rf4 h GLU 141 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1rf4 h GLU 141 CO 0.03 0.01 0.00 0.54 0.07 0.00 0.00 179.01 179.65 1rf4 n ARG 142 N -3.53 0.29 -3.50 1.06 1.74 -1.26 -4.83 116.66 106.62 1rf4 n ARG 142 Ca -0.03 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.82 1rf4 n ARG 142 Cb 0.09 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.08 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 -1.35 -5.22 -4.80 0.55 8.00 -0.17 -1.66 116.55 111.90 1rf4 n ASP 143 Ca 0.12 -0.86 -0.35 0.00 0.71 0.00 0.00 54.79 54.42 1rf4 n ASP 143 Cb 0.27 -4.26 -0.04 0.00 -0.02 0.00 0.00 41.12 37.08 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 -6.06 3.92 0.85 0.64 1.02 0.05 -2.37 118.68 116.73 1rf4 s LEU 144 Ca 0.39 1.94 -0.10 0.00 0.02 0.00 0.00 54.13 56.38 1rf4 s LEU 144 Cb -0.10 -4.47 0.11 0.00 0.02 0.00 0.00 46.19 41.74 1rf4 s LEU 144 CO 0.80 -0.69 1.12 -2.84 0.02 0.00 0.00 176.35 174.77 1rf4 s PRO 145 N -3.06 1.57 0.46 1.29 0.02 -1.26 -0.42 135.00 133.61 1rf4 s PRO 145 Ca 0.65 1.39 -0.23 0.00 0.02 0.00 0.00 61.00 62.83 1rf4 s PRO 145 Cb -0.17 -1.80 -0.07 0.00 0.02 0.00 0.00 34.50 32.47 1rf4 s PRO 145 CO 0.21 -2.19 1.15 -1.25 -0.33 0.00 0.00 177.00 174.58 1rf4 s PRO 146 N -4.74 3.77 0.19 5.54 0.04 -1.26 -4.68 135.00 133.85 1rf4 s PRO 146 Ca 0.65 1.72 0.07 0.00 0.04 0.00 0.00 61.00 63.47 1rf4 s PRO 146 Cb -0.20 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1rf4 s PRO 146 CO 0.57 -0.53 0.07 -0.51 0.04 0.00 0.00 177.00 176.64 1rf4 s LEU 147 N -3.06 3.54 -0.12 -3.56 1.43 0.75 -4.24 118.68 113.42 1rf4 s LEU 147 Ca 0.64 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.45 1rf4 s LEU 147 Cb -0.27 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 43.82 1rf4 s LEU 147 CO 0.33 0.06 -0.16 -0.60 0.23 0.00 0.00 176.35 176.20 1rf4 s ARG 148 N -3.17 2.37 -0.04 1.70 3.52 -0.55 -0.34 118.95 122.45 1rf4 s ARG 148 Ca 0.30 -0.61 0.02 0.00 -0.13 0.00 0.00 55.73 55.30 1rf4 s ARG 148 Cb -0.09 -2.01 0.01 0.00 -1.56 0.00 0.00 34.95 31.30 1rf4 s ARG 148 CO 0.21 -0.08 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.37 1rf4 s LEU 149 N 1.02 1.64 -0.15 -0.88 0.20 0.56 -2.06 118.68 119.02 1rf4 s LEU 149 Ca -0.05 -0.19 -0.00 0.00 0.69 0.00 0.00 54.13 54.58 1rf4 s LEU 149 Cb -0.15 -0.57 0.03 0.00 -0.43 0.00 0.00 46.19 45.07 1rf4 s LEU 149 CO -0.03 0.03 -0.10 -0.75 -0.29 0.00 0.00 176.35 175.21 1rf4 s LYS 150 N 0.46 1.84 0.00 1.98 2.20 0.46 -0.02 119.74 126.66 1rf4 s LYS 150 Ca -0.08 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.04 1rf4 s LYS 150 Cb -0.11 -1.97 0.00 0.00 -1.51 0.00 0.00 37.83 34.23 1rf4 s LYS 150 CO 0.01 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 1rf4 n GLY 151 N 4.83 -0.75 3.20 5.54 0.00 -0.36 -1.23 105.19 116.42 1rf4 n GLY 151 Ca -0.14 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.65 0.06 -0.96 2.61 -4.23 -1.00 -4.60 115.64 106.87 1rf4 s THR 152 Ca 0.00 -0.51 0.29 0.00 -1.18 0.00 0.00 61.69 60.29 1rf4 s THR 152 Cb 0.00 -0.55 0.24 0.00 1.34 0.00 0.00 72.50 73.53 1rf4 s THR 152 CO 0.00 -0.28 1.90 0.29 -0.54 0.00 0.00 174.62 175.99 1rf4 n LYS 153 N 1.42 0.04 -2.36 3.99 4.76 -1.26 -3.73 118.16 121.01 1rf4 n LYS 153 Ca -0.21 0.03 -0.32 0.00 -2.87 0.00 0.00 58.31 54.93 1rf4 n LYS 153 Cb 0.56 -1.54 0.01 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 -1.61 5.85 -4.73 4.39 3.02 -1.26 -5.04 115.26 115.88 1rf4 n ASN 154 Ca 0.07 -3.75 -0.42 0.00 -0.03 0.00 0.00 54.58 50.45 1rf4 n ASN 154 Cb 0.35 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 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 -3.78 4.37 -0.08 3.41 1.43 -1.24 -4.88 118.68 117.90 1rf4 s LEU 155 Ca 0.49 2.72 -0.09 0.00 -1.03 0.00 0.00 54.13 56.21 1rf4 s LEU 155 Cb 0.38 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.95 1rf4 s LEU 155 CO -0.26 -0.83 0.22 -0.13 0.23 0.00 0.00 176.35 175.59 1rf4 s ARG 156 N 0.49 3.60 0.80 1.70 0.52 0.33 -3.33 118.95 123.06 1rf4 s ARG 156 Ca 0.67 0.04 -0.14 0.00 -0.52 0.00 0.00 55.73 55.77 1rf4 s ARG 156 Cb -0.45 -3.20 0.05 0.00 0.52 0.00 0.00 34.95 31.87 1rf4 s ARG 156 CO 0.37 0.74 0.97 -0.35 0.02 0.00 0.00 175.30 177.05 1rf4 n PRO 157 N 1.96 0.20 -4.44 3.54 -0.04 -1.26 -4.53 135.00 130.44 1rf4 n PRO 157 Ca -0.18 0.13 -0.35 0.00 -0.04 0.00 0.00 63.50 63.07 1rf4 n PRO 157 Cb 0.54 -2.24 -0.10 0.00 -0.04 0.00 0.00 33.50 31.66 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 -2.07 4.13 -0.29 0.52 1.10 -1.26 -4.83 121.20 118.51 1rf4 s ILE 158 Ca 0.70 -0.31 0.01 0.00 -0.51 0.00 0.00 60.65 60.54 1rf4 s ILE 158 Cb -0.30 -2.73 0.08 0.00 0.15 0.00 0.00 42.46 39.66 1rf4 s ILE 158 CO 0.54 0.60 0.03 -1.00 -2.11 0.00 0.00 174.94 172.99 1rf4 s HIS 159 N -0.78 2.51 -0.04 3.50 3.76 -1.26 -0.78 115.29 122.20 1rf4 s HIS 159 Ca 0.12 -2.07 -0.03 0.00 -0.15 0.00 0.00 55.06 52.93 1rf4 s HIS 159 Cb -0.11 -1.98 0.02 0.00 1.11 0.00 0.00 32.58 31.61 1rf4 s HIS 159 CO 0.02 -0.85 0.10 -0.47 -0.85 0.00 0.00 174.74 172.69 1rf4 s TYR 160 N 1.34 -0.11 -0.41 1.40 6.14 -0.60 -4.99 117.35 120.12 1rf4 s TYR 160 Ca 0.04 0.30 -0.13 0.00 0.64 0.00 0.00 57.07 57.92 1rf4 s TYR 160 Cb -0.18 -0.01 0.04 0.00 0.42 0.00 0.00 41.96 42.23 1rf4 s TYR 160 CO -0.13 -0.08 0.28 -1.21 0.64 0.00 0.00 175.55 175.05 1rf4 s GLU 161 N 0.36 2.87 0.09 4.97 0.41 -1.26 -0.75 118.70 125.39 1rf4 s GLU 161 Ca -0.03 -1.15 -0.31 0.00 -0.41 0.00 0.00 54.97 53.08 1rf4 s GLU 161 Cb -0.04 -3.89 -0.09 0.00 -1.78 0.00 0.00 34.13 28.34 1rf4 s GLU 161 CO -0.01 -0.80 1.61 -0.51 -0.49 0.00 0.00 175.26 175.05 1rf4 s LEU 162 N 1.60 4.36 0.00 1.80 1.02 -0.52 -4.88 118.68 122.06 1rf4 s LEU 162 Ca 0.03 2.50 0.29 0.00 0.02 0.00 0.00 54.13 56.97 1rf4 s LEU 162 Cb -0.20 -3.57 1.26 0.00 0.02 0.00 0.00 46.19 43.69 1rf4 s LEU 162 CO 0.07 -0.85 1.94 -0.81 0.02 0.00 0.00 176.35 176.71 1rf4 n PRO 163 N 5.09 0.04 -4.04 1.29 -0.04 -1.26 -4.01 135.00 132.07 1rf4 n PRO 163 Ca 0.15 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.52 1rf4 n PRO 163 Cb 0.40 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.96 0.28 -1.35 0.52 -4.36 -1.26 -5.05 121.20 107.02 1rf4 s ILE 164 Ca 0.15 -1.29 -0.15 0.00 -0.26 0.00 0.00 60.65 59.10 1rf4 s ILE 164 Cb 0.19 -0.81 0.00 0.00 1.25 0.00 0.00 42.46 43.09 1rf4 s ILE 164 CO 0.52 -0.65 2.20 0.00 0.24 0.00 0.00 174.94 177.25 1rf4 n ALA 165 N 1.00 5.24 -3.40 2.27 0.00 -1.26 -4.59 120.51 119.77 1rf4 n ALA 165 Ca -0.20 -3.76 -0.34 0.00 0.00 0.00 0.00 53.44 49.14 1rf4 n ALA 165 Cb 0.57 -3.55 -0.14 0.00 0.00 0.00 0.00 19.45 16.33 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 3.47 4.21 0.16 0.00 0.15 -1.26 -4.91 113.70 115.52 1rf4 s SER 166 Ca 0.49 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.78 1rf4 s SER 166 Cb 0.14 -1.70 -0.01 0.00 -1.71 0.00 0.00 66.02 62.74 1rf4 s SER 166 CO -0.05 0.04 1.37 0.00 1.20 0.00 0.00 173.24 175.79 1rf4 h ALA 167 N 7.68 0.50 -0.63 5.45 0.00 -1.90 -2.96 119.26 127.40 1rf4 h ALA 167 Ca -0.38 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 53.80 1rf4 h ALA 167 Cb 1.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1rf4 h ALA 167 CO 0.60 0.88 0.27 1.96 0.00 0.00 0.00 179.25 182.95 1rf4 h GLN 168 N 0.15 0.93 -0.37 0.00 4.20 -1.94 -0.19 115.11 117.89 1rf4 h GLN 168 Ca -0.05 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 1rf4 h GLN 168 Cb 1.49 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 1rf4 h GLN 168 CO 0.14 0.77 -0.07 0.28 -0.67 0.00 0.00 178.83 179.28 1rf4 h VAL 169 N 0.87 1.27 -0.26 -0.54 2.07 -1.92 -1.16 116.25 116.58 1rf4 h VAL 169 Ca 0.21 -1.13 0.04 0.00 0.82 0.00 0.00 66.70 66.65 1rf4 h VAL 169 Cb 0.18 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1rf4 h VAL 169 CO -0.02 0.37 0.00 0.50 0.02 0.00 0.00 177.57 178.45 1rf4 h LYS 170 N 0.50 0.08 -0.58 1.57 3.64 -1.33 -1.88 116.57 118.57 1rf4 h LYS 170 Ca 0.10 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1rf4 h LYS 170 Cb 0.57 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1rf4 h LYS 170 CO 0.03 0.05 0.32 0.77 -2.27 0.00 0.00 179.45 178.36 1rf4 h SER 171 N 0.08 0.73 -0.14 4.20 0.02 -0.88 -0.45 113.55 117.12 1rf4 h SER 171 Ca 0.12 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1rf4 h SER 171 Cb 0.16 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1rf4 h SER 171 CO -0.21 0.61 -0.00 0.00 -1.14 0.00 0.00 176.83 176.09 1rf4 h ALA 172 N 1.15 0.11 -0.39 3.77 0.00 -0.95 -0.74 119.26 122.21 1rf4 h ALA 172 Ca 0.21 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1rf4 h ALA 172 Cb 0.05 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1rf4 h ALA 172 CO -0.03 -0.45 0.11 -0.07 0.00 0.00 0.00 179.25 178.80 1rf4 h LEU 173 N 0.04 0.52 -0.39 0.00 4.07 -1.10 -1.14 115.31 117.32 1rf4 h LEU 173 Ca 0.06 -0.07 -0.08 0.00 0.08 0.00 0.00 57.88 57.87 1rf4 h LEU 173 Cb 0.08 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 1rf4 h LEU 173 CO -0.11 0.52 -0.08 0.24 -1.08 0.00 0.00 178.44 177.93 1rf4 h MET 174 N 0.56 0.74 -0.62 1.13 2.86 -0.39 0.19 114.93 119.41 1rf4 h MET 174 Ca 0.13 -0.28 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 1rf4 h MET 174 Cb 0.20 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1rf4 h MET 174 CO -0.01 0.87 0.21 0.74 1.06 0.00 0.00 176.91 179.79 1rf4 h PHE 175 N 0.56 0.95 -0.00 -0.22 0.05 -0.72 -1.49 116.94 116.07 1rf4 h PHE 175 Ca 0.10 -0.07 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 1rf4 h PHE 175 Cb 0.59 -0.28 -0.00 0.00 2.00 0.00 0.00 35.95 38.25 1rf4 h PHE 175 CO 0.05 0.75 -0.00 0.00 -0.18 0.00 0.00 178.31 178.93 1rf4 h ALA 176 N 1.32 0.00 -0.93 2.45 0.00 -0.91 -3.00 119.26 118.20 1rf4 h ALA 176 Ca 0.21 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.12 1rf4 h ALA 176 Cb 0.24 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 1rf4 h ALA 176 CO -0.01 -0.32 0.60 0.00 0.00 0.00 0.00 179.25 179.51 1rf4 h ALA 177 N 0.66 1.95 -0.03 0.00 0.00 -0.36 0.26 119.26 121.73 1rf4 h ALA 177 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1rf4 h ALA 177 Cb 0.34 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rf4 h ALA 177 CO 0.00 -0.24 0.05 -0.07 0.00 0.00 0.00 179.25 178.99 1rf4 h LEU 178 N 0.59 0.00 0.00 0.00 4.07 -1.13 -2.45 115.31 116.40 1rf4 h LEU 178 Ca 0.49 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 58.30 1rf4 h LEU 178 Cb 0.95 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.66 1rf4 h LEU 178 CO -0.23 0.00 -2.14 0.00 -1.08 0.00 0.00 178.44 174.98 1rf4 n GLN 179 N -3.67 0.67 -1.77 1.13 6.02 0.85 -1.52 117.38 119.09 1rf4 n GLN 179 Ca -0.02 -0.12 -0.32 0.00 -0.01 0.00 0.00 57.00 56.53 1rf4 n GLN 179 Cb 0.13 -1.53 0.04 0.00 1.02 0.00 0.00 30.24 29.91 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 -3.09 2.65 -0.39 -1.58 0.00 -0.84 -4.58 121.76 113.93 1rf4 s ALA 180 Ca -0.09 0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.00 1rf4 s ALA 180 Cb 0.11 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 20.01 1rf4 s ALA 180 CO 0.88 -1.10 0.33 0.15 0.00 0.00 0.00 175.76 176.02 1rf4 s LYS 181 N -4.52 3.20 0.00 0.00 1.02 -1.21 -1.84 119.74 116.39 1rf4 s LYS 181 Ca 0.62 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.82 1rf4 s LYS 181 Cb -0.16 -3.91 0.00 0.00 -0.52 0.00 0.00 37.83 33.24 1rf4 s LYS 181 CO 0.46 -0.67 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 1rf4 n GLY 182 N 5.11 0.70 3.67 -3.33 0.00 -0.13 -4.33 105.19 106.87 1rf4 n GLY 182 Ca -0.10 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.93 4.11 -0.02 1.61 2.12 -1.26 -0.79 118.70 123.53 1rf4 s GLU 183 Ca 0.00 -0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.17 1rf4 s GLU 183 Cb 0.00 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 1rf4 s GLU 183 CO 0.00 0.08 -0.02 -1.12 -0.54 0.00 0.00 175.26 173.66 1rf4 s SER 184 N 0.96 5.00 -0.10 -1.70 0.01 -0.04 -4.63 113.70 113.20 1rf4 s SER 184 Ca 0.10 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.35 1rf4 s SER 184 Cb -0.13 -1.29 0.02 0.00 0.21 0.00 0.00 66.02 64.83 1rf4 s SER 184 CO 0.04 0.30 -0.10 0.68 0.41 0.00 0.00 173.24 174.57 1rf4 s VAL 185 N -1.02 1.15 -0.21 3.43 -7.23 0.04 -0.87 120.40 115.68 1rf4 s VAL 185 Ca 0.18 -0.41 -0.00 0.00 -1.81 0.00 0.00 61.98 59.94 1rf4 s VAL 185 Cb -0.11 -1.12 0.02 0.00 0.56 0.00 0.00 36.38 35.73 1rf4 s VAL 185 CO 0.08 0.38 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.48 1rf4 s ILE 186 N 1.34 2.42 -0.30 -0.62 1.01 0.16 -1.56 121.20 123.67 1rf4 s ILE 186 Ca -0.01 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.59 1rf4 s ILE 186 Cb -0.14 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 1rf4 s ILE 186 CO -0.05 0.40 0.14 -0.63 0.00 0.00 0.00 174.94 174.81 1rf4 s ILE 187 N 1.31 4.63 0.50 2.92 1.01 0.07 -0.24 121.20 131.39 1rf4 s ILE 187 Ca 0.03 -0.31 -0.20 0.00 0.00 0.00 0.00 60.65 60.16 1rf4 s ILE 187 Cb -0.15 -3.31 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 1rf4 s ILE 187 CO -0.09 0.14 1.10 -1.61 0.00 0.00 0.00 174.94 174.47 1rf4 s GLU 188 N 1.63 3.62 -0.02 2.79 2.02 0.32 -1.43 118.70 127.62 1rf4 s GLU 188 Ca 0.05 1.54 -0.20 0.00 0.02 0.00 0.00 54.97 56.39 1rf4 s GLU 188 Cb -0.17 -2.13 -0.33 0.00 0.10 0.00 0.00 34.13 31.61 1rf4 s GLU 188 CO 0.06 -0.61 0.92 -0.22 0.02 0.00 0.00 175.26 175.43 1rf4 h LYS 189 N 1.53 0.38 -3.98 1.61 3.64 -1.81 -3.46 116.57 114.48 1rf4 h LYS 189 Ca -0.50 -0.66 -0.14 0.00 -1.27 0.00 0.00 60.65 58.09 1rf4 h LYS 189 Cb 1.24 0.24 -0.18 0.00 -0.41 0.00 0.00 32.23 33.13 1rf4 h LYS 189 CO 0.58 1.31 -0.62 -1.21 -2.27 0.00 0.00 179.45 177.25 1rf4 s GLU 190 N -2.49 0.52 0.30 1.90 0.41 -1.26 -5.03 118.70 113.05 1rf4 s GLU 190 Ca -0.12 -0.86 -0.29 0.00 -0.41 0.00 0.00 54.97 53.29 1rf4 s GLU 190 Cb 0.02 0.19 -0.10 0.00 -1.78 0.00 0.00 34.13 32.46 1rf4 s GLU 190 CO 0.87 -0.11 1.39 0.71 -0.49 0.00 0.00 175.26 177.63 1rf4 s TYR 191 N -2.70 2.98 0.30 1.61 1.51 -1.26 -4.87 117.35 114.91 1rf4 s TYR 191 Ca -0.04 1.19 0.03 0.00 -1.01 0.00 0.00 57.07 57.24 1rf4 s TYR 191 Cb -0.01 -3.79 -0.06 0.00 -0.11 0.00 0.00 41.96 37.99 1rf4 s TYR 191 CO -0.05 -2.40 0.07 0.95 -1.11 0.00 0.00 175.55 173.01 1rf4 s THR 192 N -0.58 0.98 0.03 -0.71 -4.23 -1.26 -4.71 115.64 105.16 1rf4 s THR 192 Ca 0.54 -2.00 -0.38 0.00 -1.18 0.00 0.00 61.69 58.67 1rf4 s THR 192 Cb -0.42 -2.73 -0.18 0.00 1.34 0.00 0.00 72.50 70.52 1rf4 s THR 192 CO 0.49 -0.01 1.31 -2.11 -0.54 0.00 0.00 174.62 173.76 1rf4 n ARG 193 N -0.60 0.84 -1.24 3.99 0.00 -1.26 -4.85 116.66 113.54 1rf4 n ARG 193 Ca -0.02 0.30 -0.24 0.00 -0.00 0.00 0.00 57.85 57.90 1rf4 n ARG 193 Cb 0.66 -1.91 0.14 0.00 -0.00 0.00 0.00 32.46 31.36 1rf4 n ARG 193 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1rf4 n ASN 194 N 2.48 4.79 -0.12 2.89 6.94 -1.26 -4.67 115.26 126.31 1rf4 n ASN 194 Ca 0.20 -3.71 -0.00 0.00 -0.02 0.00 0.00 54.58 51.05 1rf4 n ASN 194 Cb 0.15 -0.82 0.26 0.00 -2.36 0.00 0.00 39.78 37.02 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 1.37 0.79 -0.41 -2.53 3.86 -1.99 -1.89 115.15 114.35 1rf4 h HIS 195 Ca 0.54 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.70 1rf4 h HIS 195 Cb 1.97 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 30.18 1rf4 h HIS 195 CO 1.41 0.59 0.13 1.15 0.86 0.00 0.00 177.93 182.07 1rf4 h THR 196 N 0.80 1.22 -0.10 2.45 2.02 -1.96 -0.62 112.91 116.71 1rf4 h THR 196 Ca 0.20 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.67 1rf4 h THR 196 Cb 0.10 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1rf4 h THR 196 CO -0.02 0.25 0.01 -0.33 0.37 0.00 0.00 175.52 175.80 1rf4 h GLU 197 N 0.53 0.05 -0.09 6.66 3.07 -1.83 0.58 114.58 123.55 1rf4 h GLU 197 Ca 0.13 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.00 1rf4 h GLU 197 Cb 0.26 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1rf4 h GLU 197 CO -0.00 0.03 -0.00 -0.44 -1.40 0.00 0.00 179.01 177.20 1rf4 h ASP 198 N 0.05 -0.03 0.54 1.42 3.45 -1.22 -2.93 116.42 117.70 1rf4 h ASP 198 Ca 0.04 0.02 -0.11 0.00 0.43 0.00 0.00 57.03 57.41 1rf4 h ASP 198 Cb 0.04 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 1rf4 h ASP 198 CO -0.06 -0.00 -0.52 0.24 -1.57 0.00 0.00 179.24 177.32 1rf4 h MET 199 N 0.03 0.00 -0.92 3.56 2.86 -0.99 -1.85 114.93 117.62 1rf4 h MET 199 Ca 0.04 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1rf4 h MET 199 Cb 0.05 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 1rf4 h MET 199 CO -0.07 0.52 0.53 1.25 1.06 0.00 0.00 176.91 180.21 1rf4 h LEU 200 N 0.00 1.13 -0.32 1.22 5.85 -0.73 -0.39 115.31 122.06 1rf4 h LEU 200 Ca -0.01 -0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.50 1rf4 h LEU 200 Cb 0.94 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1rf4 h LEU 200 CO 0.07 0.88 -0.33 1.56 -0.34 0.00 0.00 178.44 180.28 1rf4 h GLN 201 N 1.28 0.79 -0.10 1.25 4.20 -1.32 0.31 115.11 121.52 1rf4 h GLN 201 Ca 0.33 -0.42 0.01 0.00 0.06 0.00 0.00 58.65 58.63 1rf4 h GLN 201 Cb -0.01 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1rf4 h GLN 201 CO -0.06 1.05 0.07 0.37 -0.67 0.00 0.00 178.83 179.59 1rf4 h GLN 202 N 0.56 0.09 -0.66 1.46 4.15 -0.69 -1.42 115.11 118.60 1rf4 h GLN 202 Ca 0.05 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1rf4 h GLN 202 Cb 0.91 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.58 1rf4 h GLN 202 CO 0.08 0.06 0.00 1.19 -1.93 0.00 0.00 178.83 178.23 1rf4 n PHE 203 N -4.52 1.16 -0.73 3.99 3.01 -0.22 -4.89 117.46 115.27 1rf4 n PHE 203 Ca -0.01 -0.43 0.00 0.00 1.01 0.00 0.00 57.45 58.02 1rf4 n PHE 203 Cb 0.11 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.32 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 0.66 0.79 3.91 1.37 0.00 -0.54 -1.29 105.19 110.09 1rf4 n GLY 204 Ca 0.18 0.00 -0.29 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 -1.82 1.64 0.04 -0.02 0.00 0.11 -4.93 107.32 102.34 1rf4 s GLY 205 Ca 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 43.96 1rf4 s GLY 205 CO 0.00 -0.24 -0.10 0.30 0.00 0.00 0.00 173.10 173.06 1rf4 s HIS 206 N -3.63 0.83 0.21 1.90 3.76 -1.26 -4.22 115.29 112.88 1rf4 s HIS 206 Ca 0.65 -0.38 -0.22 0.00 -0.15 0.00 0.00 55.06 54.95 1rf4 s HIS 206 Cb -0.09 -0.50 0.05 0.00 1.11 0.00 0.00 32.58 33.15 1rf4 s HIS 206 CO 0.50 -0.02 0.65 -0.48 -0.85 0.00 0.00 174.74 174.53 1rf4 s LEU 207 N -1.21 -0.44 -0.08 0.89 2.34 -1.26 -4.43 118.68 114.48 1rf4 s LEU 207 Ca -0.04 -0.25 0.03 0.00 0.06 0.00 0.00 54.13 53.93 1rf4 s LEU 207 Cb -0.08 2.64 0.01 0.00 -0.56 0.00 0.00 46.19 48.20 1rf4 s LEU 207 CO 0.01 -1.12 -0.17 -0.55 -1.06 0.00 0.00 176.35 173.45 1rf4 s SER 208 N -2.82 2.35 -0.23 1.48 0.15 -0.16 -4.99 113.70 109.48 1rf4 s SER 208 Ca 0.05 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.30 1rf4 s SER 208 Cb -0.03 -1.08 0.04 0.00 -1.71 0.00 0.00 66.02 63.24 1rf4 s SER 208 CO -0.05 0.08 -0.13 -0.69 1.20 0.00 0.00 173.24 173.65 1rf4 s VAL 209 N 0.55 2.30 -0.59 4.45 1.01 -1.26 -0.62 120.40 126.25 1rf4 s VAL 209 Ca -0.16 -1.21 0.04 0.00 0.00 0.00 0.00 61.98 60.65 1rf4 s VAL 209 Cb -0.17 -2.16 0.15 0.00 0.00 0.00 0.00 36.38 34.20 1rf4 s VAL 209 CO 0.06 0.25 0.35 -0.62 0.00 0.00 0.00 175.10 175.14 1rf4 s ASP 210 N 1.23 4.44 1.48 3.32 2.15 -0.05 -5.01 116.67 124.23 1rf4 s ASP 210 Ca -0.01 -3.32 0.00 0.00 0.43 0.00 0.00 52.55 49.65 1rf4 s ASP 210 Cb -0.16 -1.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.86 1rf4 s ASP 210 CO -0.08 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 1rf4 n GLY 211 N 2.69 2.07 0.09 2.66 0.00 -1.26 -2.01 105.19 109.42 1rf4 n GLY 211 Ca 0.11 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 12.96 0.56 -3.13 1.61 5.02 -1.26 -4.80 118.16 129.12 1rf4 n LYS 212 Ca 0.00 -0.18 -0.40 0.00 -2.02 0.00 0.00 58.31 55.71 1rf4 n LYS 212 Cb 0.00 -1.50 -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 -2.56 4.15 -0.19 1.97 2.20 -0.85 -0.52 119.74 123.93 1rf4 s LYS 213 Ca 0.26 0.56 -0.03 0.00 -0.36 0.00 0.00 55.97 56.40 1rf4 s LYS 213 Cb 0.20 -3.62 -0.01 0.00 -1.51 0.00 0.00 37.83 32.89 1rf4 s LYS 213 CO 0.49 -0.33 -0.07 0.42 -0.36 0.00 0.00 175.35 175.50 1rf4 s ILE 214 N 2.21 3.24 -0.20 5.43 1.01 0.67 -0.87 121.20 132.68 1rf4 s ILE 214 Ca 0.27 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1rf4 s ILE 214 Cb -0.16 -2.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 1rf4 s ILE 214 CO 0.09 0.46 -0.06 -0.89 0.00 0.00 0.00 174.94 174.54 1rf4 s THR 215 N 1.16 3.36 -0.12 2.92 2.01 0.21 0.41 115.64 125.58 1rf4 s THR 215 Ca 0.02 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.53 1rf4 s THR 215 Cb -0.14 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 69.87 1rf4 s THR 215 CO -0.02 0.44 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.46 1rf4 s VAL 216 N 1.23 1.87 -0.08 3.82 1.01 -0.05 -0.99 120.40 127.22 1rf4 s VAL 216 Ca 0.03 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 1rf4 s VAL 216 Cb -0.14 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1rf4 s VAL 216 CO -0.02 0.52 0.36 -1.58 0.00 0.00 0.00 175.10 174.38 1rf4 s GLN 217 N 0.76 4.03 0.14 2.72 2.00 -1.26 -0.86 119.66 127.19 1rf4 s GLN 217 Ca -0.10 0.28 0.05 0.00 -2.00 0.00 0.00 55.36 53.58 1rf4 s GLN 217 Cb -0.16 -3.31 -0.04 0.00 0.80 0.00 0.00 33.01 30.30 1rf4 s GLN 217 CO 0.01 0.49 -0.10 0.20 -0.50 0.00 0.00 175.29 175.38 1rf4 s GLY 218 N -0.37 1.06 0.44 2.59 0.00 0.03 -4.52 107.32 106.55 1rf4 s GLY 218 Ca 0.21 -1.47 -0.05 0.00 0.00 0.00 0.00 44.72 43.41 1rf4 s GLY 218 CO 0.09 -1.57 0.74 2.56 0.00 0.00 0.00 173.10 174.92 1rf4 s PRO 219 N -3.66 3.56 0.23 2.90 0.04 -0.77 -0.96 135.00 136.34 1rf4 s PRO 219 Ca 0.16 0.13 0.09 0.00 0.04 0.00 0.00 61.00 61.42 1rf4 s PRO 219 Cb 0.02 -2.44 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 1rf4 s PRO 219 CO 0.01 -0.11 -0.16 -0.65 0.04 0.00 0.00 177.00 176.12 1rf4 s GLN 220 N -4.54 1.44 -0.11 4.56 -0.21 -0.57 -5.02 119.66 115.21 1rf4 s GLN 220 Ca 0.46 -1.64 0.03 0.00 0.02 0.00 0.00 55.36 54.23 1rf4 s GLN 220 Cb -0.10 -1.33 -0.01 0.00 1.00 0.00 0.00 33.01 32.57 1rf4 s GLN 220 CO 0.42 0.23 -0.19 0.21 -2.12 0.00 0.00 175.29 173.83 1rf4 s LYS 221 N -3.59 3.13 0.29 2.91 2.20 -1.26 -4.91 119.74 118.51 1rf4 s LYS 221 Ca 0.25 -0.80 0.08 0.00 -0.36 0.00 0.00 55.97 55.13 1rf4 s LYS 221 Cb -0.02 -2.42 -0.04 0.00 -1.51 0.00 0.00 37.83 33.84 1rf4 s LYS 221 CO 0.09 0.22 0.19 -0.51 -0.36 0.00 0.00 175.35 174.98 1rf4 s LEU 222 N 0.27 3.58 -0.05 5.43 1.43 -1.26 -4.71 118.68 123.37 1rf4 s LEU 222 Ca -0.14 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.57 1rf4 s LEU 222 Cb -0.17 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 1rf4 s LEU 222 CO 0.07 -0.16 -0.21 -0.89 0.23 0.00 0.00 176.35 175.39 1rf4 s THR 223 N -2.25 1.73 0.49 5.49 2.01 -0.41 -0.90 115.64 121.79 1rf4 s THR 223 Ca 0.36 -0.88 -0.21 0.00 0.31 0.00 0.00 61.69 61.26 1rf4 s THR 223 Cb -0.06 -1.47 -0.10 0.00 0.01 0.00 0.00 72.50 70.88 1rf4 s THR 223 CO 0.24 0.49 0.72 0.61 -0.69 0.00 0.00 174.62 175.99 1rf4 n GLY 224 N 3.04 -0.98 3.22 4.40 0.00 -0.17 -4.67 105.19 110.02 1rf4 n GLY 224 Ca -0.18 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.02 1.14 -0.37 1.61 -1.52 -1.22 -4.87 119.66 112.42 1rf4 s GLN 225 Ca 0.67 -1.58 -0.17 0.00 -1.95 0.00 0.00 55.36 52.33 1rf4 s GLN 225 Cb -0.52 0.03 0.00 0.00 -0.22 0.00 0.00 33.01 32.31 1rf4 s GLN 225 CO 0.55 -0.27 0.43 0.21 -0.25 0.00 0.00 175.29 175.96 1rf4 s LYS 226 N -4.05 3.44 -0.22 2.91 2.20 -1.26 -1.43 119.74 121.33 1rf4 s LYS 226 Ca 0.31 -0.45 -0.06 0.00 -0.36 0.00 0.00 55.97 55.42 1rf4 s LYS 226 Cb 0.07 -3.86 -0.02 0.00 -1.51 0.00 0.00 37.83 32.51 1rf4 s LYS 226 CO 0.07 -0.66 0.02 0.08 -0.36 0.00 0.00 175.35 174.50 1rf4 s VAL 227 N 2.17 4.02 -0.34 4.02 1.01 0.25 -4.96 120.40 126.58 1rf4 s VAL 227 Ca 0.14 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 1rf4 s VAL 227 Cb -0.16 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.41 1rf4 s VAL 227 CO 0.13 0.40 0.12 0.68 0.00 0.00 0.00 175.10 176.42 1rf4 s VAL 228 N 1.26 3.92 -0.09 2.92 -7.23 -1.26 0.35 120.40 120.27 1rf4 s VAL 228 Ca 0.04 -1.05 -0.29 0.00 -1.81 0.00 0.00 61.98 58.87 1rf4 s VAL 228 Cb -0.15 -3.19 -0.02 0.00 0.56 0.00 0.00 36.38 33.59 1rf4 s VAL 228 CO 0.02 -0.16 0.99 -0.69 -0.31 0.00 0.00 175.10 174.94 1rf4 s VAL 229 N 1.43 4.81 0.52 1.32 1.01 -0.43 -4.96 120.40 124.11 1rf4 s VAL 229 Ca -0.01 2.01 -0.11 0.00 0.00 0.00 0.00 61.98 63.88 1rf4 s VAL 229 Cb -0.19 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 1rf4 s VAL 229 CO 0.03 0.04 0.92 -2.16 0.00 0.00 0.00 175.10 173.94 1rf4 s PRO 230 N 1.78 3.71 0.59 2.72 0.04 -1.26 -4.79 135.00 137.79 1rf4 s PRO 230 Ca 0.48 0.63 -0.19 0.00 0.04 0.00 0.00 61.00 61.96 1rf4 s PRO 230 Cb -0.19 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1rf4 s PRO 230 CO 0.20 -0.32 1.11 0.41 0.04 0.00 0.00 177.00 178.44 1rf4 n GLY 231 N -2.08 0.06 3.63 0.56 0.00 0.45 -0.69 105.19 107.12 1rf4 n GLY 231 Ca 0.04 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1rf4 n GLY 231 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rf4 s ASP 232 N -1.19 6.78 0.41 1.61 3.68 -0.21 -0.61 116.67 127.13 1rf4 s ASP 232 Ca 0.76 0.86 0.07 0.00 2.13 0.00 0.00 52.55 56.37 1rf4 s ASP 232 Cb -0.42 -2.45 0.84 0.00 -1.45 0.00 0.00 42.92 39.44 1rf4 s ASP 232 CO 0.46 -0.67 2.04 0.40 0.13 0.00 0.00 175.17 177.54 1rf4 h ILE 233 N 5.60 1.11 0.00 4.11 5.03 -1.91 0.12 117.51 131.57 1rf4 h ILE 233 Ca -0.23 -0.25 -0.04 0.00 -0.12 0.00 0.00 64.86 64.23 1rf4 h ILE 233 Cb 1.08 0.55 -0.01 0.00 -3.03 0.00 0.00 36.82 35.42 1rf4 h ILE 233 CO 0.93 0.12 -0.19 0.28 -0.68 0.00 0.00 178.15 178.61 1rf4 h SER 234 N 0.54 0.00 0.16 1.72 0.02 -1.91 0.32 113.55 114.40 1rf4 h SER 234 Ca 0.14 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.74 1rf4 h SER 234 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1rf4 h SER 234 CO -0.03 0.19 -1.79 0.28 -1.14 0.00 0.00 176.83 174.34 1rf4 h SER 235 N 0.00 0.55 -0.16 3.07 0.02 -1.52 -3.30 113.55 112.21 1rf4 h SER 235 Ca -0.00 -0.94 0.01 0.00 -0.84 0.00 0.00 61.79 60.02 1rf4 h SER 235 Cb 0.44 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1rf4 h SER 235 CO 0.02 1.80 0.11 0.00 -1.14 0.00 0.00 176.83 177.62 1rf4 h ALA 236 N 0.08 1.91 -0.82 3.77 0.00 -0.38 -2.46 119.26 121.35 1rf4 h ALA 236 Ca -0.36 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.68 1rf4 h ALA 236 Cb 2.05 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.72 1rf4 h ALA 236 CO 0.14 0.08 0.54 0.00 0.00 0.00 0.00 179.25 180.02 1rf4 h ALA 237 N 1.90 1.99 -0.25 0.00 0.00 -0.46 -0.19 119.26 122.25 1rf4 h ALA 237 Ca 0.06 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1rf4 h ALA 237 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1rf4 h ALA 237 CO -0.01 -0.21 -0.16 0.74 0.00 0.00 0.00 179.25 179.61 1rf4 h PHE 238 N 0.54 0.46 0.06 0.00 -1.00 -1.61 -2.43 116.94 112.97 1rf4 h PHE 238 Ca 0.41 -0.07 -0.25 0.00 2.81 0.00 0.00 57.97 60.86 1rf4 h PHE 238 Cb 0.80 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 40.22 1rf4 h PHE 238 CO -0.00 0.58 -1.24 -1.49 -1.61 0.00 0.00 178.31 174.54 1rf4 h TRP 239 N 0.40 0.21 -0.44 -0.55 -0.00 -1.27 -2.07 115.95 112.23 1rf4 h TRP 239 Ca 0.07 -0.16 0.02 0.00 -0.00 0.00 0.00 58.89 58.83 1rf4 h TRP 239 Cb 0.52 -0.01 -0.03 0.00 -0.00 0.00 0.00 29.16 29.64 1rf4 h TRP 239 CO 0.01 1.14 0.25 -0.07 -0.00 0.00 0.00 178.44 179.78 1rf4 h LEU 240 N 0.03 0.41 -0.19 -4.49 3.38 -0.92 0.15 115.31 113.68 1rf4 h LEU 240 Ca -0.12 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 1rf4 h LEU 240 Cb 1.90 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.57 1rf4 h LEU 240 CO 0.15 0.29 -0.42 0.58 0.09 0.00 0.00 178.44 179.13 1rf4 h VAL 241 N 0.51 1.33 -0.91 1.22 2.07 -1.50 -2.98 116.25 115.99 1rf4 h VAL 241 Ca 0.18 -1.66 0.11 0.00 0.82 0.00 0.00 66.70 66.15 1rf4 h VAL 241 Cb 0.02 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 1rf4 h VAL 241 CO -0.09 0.51 0.59 0.00 0.02 0.00 0.00 177.57 178.60 1rf4 h ALA 242 N 0.58 1.65 0.00 1.67 0.00 -1.07 0.01 119.26 122.10 1rf4 h ALA 242 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1rf4 h ALA 242 Cb 1.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1rf4 h ALA 242 CO 0.09 0.15 -0.28 0.78 0.00 0.00 0.00 179.25 179.99 1rf4 h GLY 243 N 0.88 0.00 1.19 0.00 0.00 -0.92 -0.42 103.07 103.79 1rf4 h GLY 243 Ca 0.43 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.49 1rf4 h GLY 243 CO -0.20 0.00 -1.57 1.41 0.00 0.00 0.00 176.54 176.18 1rf4 h LEU 244 N 0.00 0.05 0.14 3.11 3.38 -1.13 -1.56 115.31 119.30 1rf4 h LEU 244 Ca -0.00 -0.08 -0.35 0.00 0.09 0.00 0.00 57.88 57.53 1rf4 h LEU 244 Cb 0.88 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1rf4 h LEU 244 CO 0.04 1.07 -1.84 0.40 0.09 0.00 0.00 178.44 178.19 1rf4 h ILE 245 N 0.01 0.81 -3.89 1.22 5.03 -0.99 -0.87 117.51 118.82 1rf4 h ILE 245 Ca -0.23 -2.47 -0.47 0.00 -0.12 0.00 0.00 64.86 61.56 1rf4 h ILE 245 Cb 1.97 2.63 -0.01 0.00 -3.03 0.00 0.00 36.82 38.37 1rf4 h ILE 245 CO 0.10 0.86 0.36 0.00 -0.68 0.00 0.00 178.15 178.78 1rf4 s ALA 246 N -2.57 3.20 0.64 1.87 0.00 -0.17 -4.95 121.76 119.77 1rf4 s ALA 246 Ca -0.18 0.57 -0.15 0.00 0.00 0.00 0.00 51.96 52.20 1rf4 s ALA 246 Cb 0.06 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 1rf4 s ALA 246 CO 0.81 0.10 1.09 -1.25 0.00 0.00 0.00 175.76 176.52 1rf4 s PRO 247 N -2.07 2.96 -1.40 0.00 0.04 -1.26 -3.91 135.00 129.36 1rf4 s PRO 247 Ca 0.51 1.33 -0.09 0.00 0.04 0.00 0.00 61.00 62.79 1rf4 s PRO 247 Cb -0.20 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1rf4 s PRO 247 CO 0.25 -1.11 0.34 0.09 0.04 0.00 0.00 177.00 176.61 1rf4 n ASN 248 N -2.30 -1.00 -4.27 6.66 3.02 -1.26 -4.09 115.26 112.02 1rf4 n ASN 248 Ca 0.10 -1.17 -0.23 0.00 -0.03 0.00 0.00 54.58 53.25 1rf4 n ASN 248 Cb 0.52 -2.24 -0.12 0.00 -0.61 0.00 0.00 39.78 37.33 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 -4.13 2.41 -0.25 6.41 0.01 -1.25 -3.69 113.70 113.20 1rf4 s SER 249 Ca 0.14 -0.68 -0.04 0.00 1.31 0.00 0.00 55.95 56.68 1rf4 s SER 249 Cb -0.07 -0.12 0.14 0.00 0.21 0.00 0.00 66.02 66.18 1rf4 s SER 249 CO 0.95 0.03 0.46 -0.60 0.41 0.00 0.00 173.24 174.49 1rf4 s ARG 250 N -1.91 0.42 -0.03 12.44 3.52 -0.40 -1.92 118.95 131.06 1rf4 s ARG 250 Ca 0.05 0.83 0.05 0.00 -0.13 0.00 0.00 55.73 56.53 1rf4 s ARG 250 Cb -0.10 0.05 -0.03 0.00 -1.56 0.00 0.00 34.95 33.32 1rf4 s ARG 250 CO 0.04 -0.53 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.32 1rf4 s LEU 251 N 2.67 2.58 -0.25 -0.88 1.43 -0.62 -3.12 118.68 120.48 1rf4 s LEU 251 Ca 0.11 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1rf4 s LEU 251 Cb -0.14 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.61 1rf4 s LEU 251 CO -0.17 0.32 -0.10 0.54 0.23 0.00 0.00 176.35 177.18 1rf4 s VAL 252 N -0.74 2.45 -0.40 -1.59 0.11 -0.38 -1.58 120.40 118.26 1rf4 s VAL 252 Ca 0.12 -1.32 -0.12 0.00 -2.93 0.00 0.00 61.98 57.73 1rf4 s VAL 252 Cb -0.10 -2.32 0.05 0.00 -1.53 0.00 0.00 36.38 32.48 1rf4 s VAL 252 CO 0.01 0.12 0.26 -0.76 -3.33 0.00 0.00 175.10 171.40 1rf4 s LEU 253 N 1.21 5.01 0.43 2.54 2.01 0.97 -0.61 118.68 130.25 1rf4 s LEU 253 Ca -0.04 -1.17 -0.03 0.00 0.01 0.00 0.00 54.13 52.91 1rf4 s LEU 253 Cb -0.18 -2.05 -0.03 0.00 0.01 0.00 0.00 46.19 43.94 1rf4 s LEU 253 CO -0.06 -0.47 0.69 -1.10 1.01 0.00 0.00 176.35 176.42 1rf4 s GLN 254 N 1.55 3.47 -1.45 1.70 -0.21 -0.67 -0.09 119.66 123.95 1rf4 s GLN 254 Ca 0.03 -0.06 -0.04 0.00 0.02 0.00 0.00 55.36 55.31 1rf4 s GLN 254 Cb -0.21 -2.50 0.03 0.00 1.00 0.00 0.00 33.01 31.34 1rf4 s GLN 254 CO 0.06 -0.09 0.56 -1.71 -2.12 0.00 0.00 175.29 171.99 1rf4 n ASN 255 N -2.07 -1.27 -4.70 5.90 5.15 -1.18 -4.32 115.26 112.77 1rf4 n ASN 255 Ca -0.01 -0.96 -0.37 0.00 -0.60 0.00 0.00 54.58 52.63 1rf4 n ASN 255 Cb 0.56 -3.20 -0.08 0.00 -0.53 0.00 0.00 39.78 36.53 1rf4 n ASN 255 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1rf4 s VAL 256 N -3.76 5.30 0.31 3.44 0.11 -0.13 -0.41 120.40 125.26 1rf4 s VAL 256 Ca 0.18 0.48 -0.29 0.00 -2.93 0.00 0.00 61.98 59.42 1rf4 s VAL 256 Cb -0.09 -3.62 -0.13 0.00 -1.53 0.00 0.00 36.38 31.02 1rf4 s VAL 256 CO 0.88 0.35 1.33 0.61 -3.33 0.00 0.00 175.10 174.93 1rf4 n GLY 257 N 3.74 0.66 0.73 6.54 0.00 0.22 -1.33 105.19 115.74 1rf4 n GLY 257 Ca -0.12 0.37 0.06 0.00 0.00 0.00 0.00 46.02 46.33 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 0.81 1.44 -1.68 -0.61 0.13 0.38 -4.48 119.36 115.34 1rf4 n ILE 258 Ca 0.07 -2.28 -0.48 0.00 -1.10 0.00 0.00 62.75 58.95 1rf4 n ILE 258 Cb 0.35 0.13 -0.05 0.00 -0.84 0.00 0.00 39.64 39.23 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 -0.68 3.24 -0.43 9.51 2.85 -1.25 -4.81 115.26 123.69 1rf4 n ASN 259 Ca 0.14 1.01 0.40 0.00 -0.11 0.00 0.00 54.58 56.02 1rf4 n ASN 259 Cb 0.80 -1.37 0.76 0.00 1.24 0.00 0.00 39.78 41.21 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 8.07 0.01 -0.02 1.20 9.09 -1.97 0.40 114.58 131.36 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 1.27 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 1rf4 h GLU 260 CO 0.93 0.01 0.00 0.25 0.05 0.00 0.00 179.01 180.25 1rf4 n THR 261 N -4.14 0.02 -0.12 -1.06 -2.24 -1.26 -3.50 114.28 101.98 1rf4 n THR 261 Ca 0.31 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1rf4 n THR 261 Cb 1.45 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.68 1.87 -0.64 -0.78 5.12 0.14 -4.17 116.66 117.52 1rf4 n ARG 262 Ca 0.18 -0.23 -0.10 0.00 -1.93 0.00 0.00 57.85 55.78 1rf4 n ARG 262 Cb 0.13 -0.69 0.12 0.00 -1.16 0.00 0.00 32.46 30.87 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 -0.33 2.07 -0.31 0.55 -2.24 -1.10 -4.56 114.28 108.35 1rf4 n THR 263 Ca 0.00 -0.99 0.02 0.00 -2.27 0.00 0.00 64.05 60.81 1rf4 n THR 263 Cb 0.03 -0.65 0.21 0.00 -2.10 0.00 0.00 70.33 67.82 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 2.77 1.33 2.00 3.38 0.00 -1.50 -2.24 103.07 108.81 1rf4 h GLY 264 Ca 0.28 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1rf4 h GLY 264 CO 0.54 0.35 -0.12 1.19 0.00 0.00 0.00 176.54 178.51 1rf4 h ILE 265 N 1.10 0.68 -0.41 2.60 2.10 -1.80 -1.98 117.51 119.80 1rf4 h ILE 265 Ca 0.38 -0.48 -0.12 0.00 1.08 0.00 0.00 64.86 65.72 1rf4 h ILE 265 Cb 0.10 1.30 -0.01 0.00 -1.09 0.00 0.00 36.82 37.11 1rf4 h ILE 265 CO -0.13 0.11 -0.20 0.40 -1.08 0.00 0.00 178.15 177.26 1rf4 h ILE 266 N 0.00 1.28 -0.48 2.19 2.04 -1.76 -1.74 117.51 119.04 1rf4 h ILE 266 Ca -0.00 -1.34 -0.07 0.00 1.00 0.00 0.00 64.86 64.45 1rf4 h ILE 266 Cb 0.29 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1rf4 h ILE 266 CO 0.02 0.45 0.03 0.44 0.00 0.00 0.00 178.15 179.08 1rf4 h ASP 267 N 0.67 0.74 -0.19 1.72 3.32 -1.38 -2.01 116.42 119.28 1rf4 h ASP 267 Ca 0.09 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 1rf4 h ASP 267 Cb 0.76 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1rf4 h ASP 267 CO 0.06 0.79 -0.09 0.58 -1.72 0.00 0.00 179.24 178.86 1rf4 h VAL 268 N 0.73 1.31 -0.98 -1.35 2.07 -1.33 -0.94 116.25 115.75 1rf4 h VAL 268 Ca 0.15 -1.13 0.07 0.00 0.82 0.00 0.00 66.70 66.60 1rf4 h VAL 268 Cb 0.40 1.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 1rf4 h VAL 268 CO 0.01 0.34 0.63 0.40 0.02 0.00 0.00 177.57 178.97 1rf4 h ILE 269 N 0.09 1.07 0.84 4.57 2.04 -1.22 0.64 117.51 125.54 1rf4 h ILE 269 Ca 0.04 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 1rf4 h ILE 269 Cb 0.57 -0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1rf4 h ILE 269 CO 0.03 0.21 -0.42 -0.09 0.00 0.00 0.00 178.15 177.87 1rf4 h ARG 270 N 1.12 -1.11 -0.20 2.37 9.65 -1.18 0.23 114.38 125.27 1rf4 h ARG 270 Ca 0.43 0.08 0.06 0.00 -1.10 0.00 0.00 59.98 59.44 1rf4 h ARG 270 Cb 0.19 0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1rf4 h ARG 270 CO -0.18 -0.74 0.15 0.00 2.80 0.00 0.00 179.97 182.00 1rf4 h ALA 271 N -0.99 2.11 -0.02 2.80 0.00 -0.63 -1.04 119.26 121.49 1rf4 h ALA 271 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1rf4 h ALA 271 Cb 0.89 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1rf4 h ALA 271 CO 0.18 -0.25 0.00 -1.33 0.00 0.00 0.00 179.25 177.85 1rf4 n MET 272 N -4.35 1.46 -0.94 0.00 2.81 0.17 -4.87 117.12 111.41 1rf4 n MET 272 Ca 0.02 -0.67 0.00 0.00 -1.81 0.00 0.00 57.70 55.24 1rf4 n MET 272 Cb 0.29 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 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 1.11 0.43 3.80 3.03 0.00 -0.40 -1.36 105.19 111.81 1rf4 n GLY 273 Ca 0.20 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 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 2.46 -0.72 -0.02 0.00 0.03 -4.69 107.32 101.56 1rf4 s GLY 274 Ca 0.00 0.59 -0.24 0.00 0.00 0.00 0.00 44.72 45.07 1rf4 s GLY 274 CO 0.00 0.91 1.10 0.54 0.00 0.00 0.00 173.10 175.65 1rf4 s LYS 275 N -3.36 3.19 -0.13 2.90 1.02 -1.26 -4.72 119.74 117.37 1rf4 s LYS 275 Ca 0.67 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.93 1rf4 s LYS 275 Cb -0.17 -4.32 0.02 0.00 -0.52 0.00 0.00 37.83 32.84 1rf4 s LYS 275 CO 0.23 -1.94 -0.13 -1.17 -0.92 0.00 0.00 175.35 171.42 1rf4 s LEU 276 N 4.53 1.58 -0.10 3.17 2.96 -1.26 -2.07 118.68 127.48 1rf4 s LEU 276 Ca 0.28 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1rf4 s LEU 276 Cb -0.12 -1.08 -0.03 0.00 0.50 0.00 0.00 46.19 45.46 1rf4 s LEU 276 CO 0.09 -0.06 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.29 1rf4 s GLU 277 N 1.43 3.10 -0.18 1.98 2.12 0.92 -4.96 118.70 123.11 1rf4 s GLU 277 Ca 0.03 -0.57 -0.00 0.00 0.36 0.00 0.00 54.97 54.78 1rf4 s GLU 277 Cb -0.13 -2.68 0.01 0.00 0.26 0.00 0.00 34.13 31.58 1rf4 s GLU 277 CO -0.08 0.47 -0.15 0.42 -0.54 0.00 0.00 175.26 175.39 1rf4 s ILE 278 N -0.30 2.56 0.15 -3.70 1.01 -1.26 -0.30 121.20 119.36 1rf4 s ILE 278 Ca 0.04 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1rf4 s ILE 278 Cb -0.13 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 1rf4 s ILE 278 CO 0.02 0.50 0.09 0.35 0.00 0.00 0.00 174.94 175.90 1rf4 n THR 279 N 4.52 0.00 -4.36 2.92 -2.24 -0.49 -4.90 114.28 109.73 1rf4 n THR 279 Ca -0.20 -0.96 -0.33 0.00 -2.27 0.00 0.00 64.05 60.29 1rf4 n THR 279 Cb 0.51 0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.30 -0.90 -2.29 -0.78 -0.58 -1.26 -1.34 120.64 113.19 1rf4 n GLU 280 Ca 0.01 0.10 -0.43 0.00 -0.42 0.00 0.00 57.16 56.42 1rf4 n GLU 280 Cb 0.24 -3.79 -0.02 0.00 -0.57 0.00 0.00 31.44 27.30 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 -4.18 4.06 -0.54 -3.67 1.01 -1.26 -4.21 121.20 112.41 1rf4 s ILE 281 Ca 0.15 1.28 -0.17 0.00 0.00 0.00 0.00 60.65 61.91 1rf4 s ILE 281 Cb -0.09 -3.83 0.10 0.00 0.01 0.00 0.00 42.46 38.66 1rf4 s ILE 281 CO 1.01 -0.11 0.56 -0.62 0.00 0.00 0.00 174.94 175.77 1rf4 s ASP 282 N 2.41 6.18 0.21 3.58 -1.08 0.33 -4.94 116.67 123.36 1rf4 s ASP 282 Ca 0.61 -1.49 0.16 0.00 -0.52 0.00 0.00 52.55 51.31 1rf4 s ASP 282 Cb -0.25 -2.24 0.82 0.00 -1.46 0.00 0.00 42.92 39.78 1rf4 s ASP 282 CO 0.19 -0.90 1.50 -0.81 0.52 0.00 0.00 175.17 175.67 1rf4 n PRO 283 N 5.67 0.11 -0.11 4.34 -0.04 -1.26 -1.45 135.00 142.26 1rf4 n PRO 283 Ca -0.11 0.53 -0.19 0.00 -0.04 0.00 0.00 63.50 63.68 1rf4 n PRO 283 Cb 0.42 -1.80 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 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 -2.01 1.41 0.30 0.52 0.31 -1.26 -4.40 118.33 113.19 1rf4 n VAL 284 Ca -0.00 -0.14 0.15 0.00 -0.01 0.00 0.00 64.34 64.33 1rf4 n VAL 284 Cb 0.08 -2.01 0.68 0.00 -0.91 0.00 0.00 33.84 31.67 1rf4 n VAL 284 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rf4 h ALA 285 N -0.89 1.00 -4.65 3.52 0.00 -2.00 -3.46 119.26 112.78 1rf4 h ALA 285 Ca -0.38 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.29 1rf4 h ALA 285 Cb 1.29 0.00 0.12 0.00 0.00 0.00 0.00 17.79 19.20 1rf4 h ALA 285 CO -0.23 0.00 -0.56 1.63 0.00 0.00 0.00 179.25 180.09 1rf4 n LYS 286 N -2.57 -4.85 -4.27 0.00 5.02 -0.53 -4.84 118.16 106.11 1rf4 n LYS 286 Ca 0.00 0.62 -0.14 0.00 -2.02 0.00 0.00 58.31 56.76 1rf4 n LYS 286 Cb 0.17 -4.95 -0.10 0.00 -0.02 0.00 0.00 35.03 30.13 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 -3.96 1.07 0.18 4.39 1.04 -1.05 0.14 113.70 115.51 1rf4 s SER 287 Ca 0.02 -1.29 -0.23 0.00 0.48 0.00 0.00 55.95 54.92 1rf4 s SER 287 Cb -0.01 0.17 0.07 0.00 0.10 0.00 0.00 66.02 66.35 1rf4 s SER 287 CO 0.53 -0.67 0.98 0.00 0.98 0.00 0.00 173.24 175.06 1rf4 s ALA 288 N -3.76 -1.58 -0.16 5.32 0.00 -0.44 -0.51 121.76 120.62 1rf4 s ALA 288 Ca 0.31 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.16 1rf4 s ALA 288 Cb 0.07 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1rf4 s ALA 288 CO 0.09 -1.05 -0.04 0.95 0.00 0.00 0.00 175.76 175.71 1rf4 s THR 289 N -2.84 3.84 -0.16 0.00 -4.23 -0.45 -0.95 115.64 110.86 1rf4 s THR 289 Ca 0.16 -0.37 -0.07 0.00 -1.18 0.00 0.00 61.69 60.23 1rf4 s THR 289 Cb -0.02 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 1rf4 s THR 289 CO 0.04 0.49 0.06 -0.76 -0.54 0.00 0.00 174.62 173.90 1rf4 s LEU 290 N 0.45 3.83 -0.13 4.79 1.02 0.87 -1.39 118.68 128.12 1rf4 s LEU 290 Ca -0.04 0.13 0.02 0.00 0.02 0.00 0.00 54.13 54.26 1rf4 s LEU 290 Cb -0.14 -1.95 0.01 0.00 0.02 0.00 0.00 46.19 44.13 1rf4 s LEU 290 CO 0.03 0.23 -0.20 -0.63 0.02 0.00 0.00 176.35 175.80 1rf4 s ILE 291 N 0.05 1.87 0.18 -0.59 1.01 0.59 -0.02 121.20 124.29 1rf4 s ILE 291 Ca 0.05 -0.86 0.11 0.00 0.00 0.00 0.00 60.65 59.95 1rf4 s ILE 291 Cb -0.12 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1rf4 s ILE 291 CO 0.01 0.51 -0.23 0.54 0.00 0.00 0.00 174.94 175.77 1rf4 s VAL 292 N 0.87 2.43 0.04 2.92 0.11 -0.62 -0.05 120.40 126.11 1rf4 s VAL 292 Ca -0.07 -1.96 0.01 0.00 -2.93 0.00 0.00 61.98 57.04 1rf4 s VAL 292 Cb -0.15 -2.16 -0.03 0.00 -1.53 0.00 0.00 36.38 32.51 1rf4 s VAL 292 CO -0.02 -0.09 -0.06 -0.70 -3.33 0.00 0.00 175.10 170.90 1rf4 s GLU 293 N -2.61 0.51 -0.13 1.54 2.12 -0.88 -1.59 118.70 117.66 1rf4 s GLU 293 Ca 0.20 -0.81 -0.38 0.00 0.36 0.00 0.00 54.97 54.34 1rf4 s GLU 293 Cb -0.08 -0.15 -0.15 0.00 0.26 0.00 0.00 34.13 34.00 1rf4 s GLU 293 CO 0.10 0.01 1.65 0.43 -0.54 0.00 0.00 175.26 176.90 1rf4 n SER 294 N 1.25 2.37 -4.20 -1.70 7.64 -0.59 -4.13 113.62 114.26 1rf4 n SER 294 Ca -0.21 1.07 -0.13 0.00 1.01 0.00 0.00 58.87 60.61 1rf4 n SER 294 Cb 0.56 -1.20 -0.10 0.00 -1.01 0.00 0.00 64.21 62.46 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 2.65 1.43 -0.33 6.43 0.01 -0.33 -4.87 113.70 118.69 1rf4 s SER 295 Ca 0.93 -0.97 -0.12 0.00 1.31 0.00 0.00 55.95 57.10 1rf4 s SER 295 Cb -0.97 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 65.29 1rf4 s SER 295 CO 0.57 -0.38 0.21 -1.81 0.41 0.00 0.00 173.24 172.25 1rf4 s ASP 296 N -2.96 5.88 0.30 2.44 -0.00 -1.26 -4.75 116.67 116.32 1rf4 s ASP 296 Ca 0.12 -0.48 0.03 0.00 -0.00 0.00 0.00 52.55 52.22 1rf4 s ASP 296 Cb 0.03 -2.09 -0.03 0.00 -0.00 0.00 0.00 42.92 40.83 1rf4 s ASP 296 CO -0.02 -0.23 0.46 -0.76 -0.00 0.00 0.00 175.17 174.62 1rf4 s LEU 297 N 1.68 4.13 0.03 1.23 2.01 -1.26 -4.74 118.68 121.76 1rf4 s LEU 297 Ca 0.05 0.18 0.07 0.00 0.01 0.00 0.00 54.13 54.44 1rf4 s LEU 297 Cb -0.17 -3.01 -0.02 0.00 0.01 0.00 0.00 46.19 42.99 1rf4 s LEU 297 CO 0.09 -0.23 -0.19 -0.54 1.01 0.00 0.00 176.35 176.48 1rf4 s LYS 298 N -4.15 1.37 0.90 1.70 3.01 -0.46 -0.26 119.74 121.84 1rf4 s LYS 298 Ca 0.38 -0.84 -0.10 0.00 -1.01 0.00 0.00 55.97 54.40 1rf4 s LYS 298 Cb -0.09 -1.42 0.14 0.00 -1.01 0.00 0.00 37.83 35.44 1rf4 s LYS 298 CO 0.32 0.37 1.15 0.20 0.51 0.00 0.00 175.35 177.91 1rf4 s GLY 299 N -0.97 1.75 0.33 -3.33 0.00 -0.25 -4.36 107.32 100.50 1rf4 s GLY 299 Ca 0.07 0.62 -0.03 0.00 0.00 0.00 0.00 44.72 45.38 1rf4 s GLY 299 CO 0.01 1.04 0.46 -1.08 0.00 0.00 0.00 173.10 173.53 1rf4 s THR 300 N -2.59 0.00 -0.11 0.90 -1.32 -1.24 -4.86 115.64 106.43 1rf4 s THR 300 Ca 0.68 -1.60 0.00 0.00 -1.21 0.00 0.00 61.69 59.55 1rf4 s THR 300 Cb -0.23 -2.60 -0.02 0.00 -1.51 0.00 0.00 72.50 68.13 1rf4 s THR 300 CO 0.57 0.00 -0.13 -0.70 -2.21 0.00 0.00 174.62 172.15 1rf4 s GLU 301 N -3.16 3.21 -0.25 7.08 2.12 -1.26 -1.93 118.70 124.50 1rf4 s GLU 301 Ca 0.30 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 54.98 1rf4 s GLU 301 Cb -0.00 -2.60 0.06 0.00 0.26 0.00 0.00 34.13 31.85 1rf4 s GLU 301 CO 0.19 0.31 -0.07 0.42 -0.54 0.00 0.00 175.26 175.58 1rf4 s ILE 302 N 0.09 1.82 0.29 -3.70 1.01 -0.03 -4.98 121.20 115.71 1rf4 s ILE 302 Ca -0.05 -1.45 -0.09 0.00 0.00 0.00 0.00 60.65 59.06 1rf4 s ILE 302 Cb -0.15 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.29 1rf4 s ILE 302 CO 0.04 -0.11 0.49 0.00 0.00 0.00 0.00 174.94 175.37 1rf4 n GLY 304 N -0.46 0.00 3.72 0.00 0.00 -1.26 -2.78 105.19 104.42 1rf4 n GLY 304 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.11 4.61 0.00 -1.26 -4.56 120.51 119.41 1rf4 n ALA 305 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1rf4 n ALA 305 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 0.01 -0.23 0.00 5.85 -1.93 -3.36 115.31 115.65 1rf4 h LEU 306 Ca 0.00 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1rf4 h LEU 306 Cb 0.00 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 1rf4 h LEU 306 CO 0.00 0.75 -0.42 0.40 -0.34 0.00 0.00 178.44 178.83 1rf4 h ILE 307 N 0.00 0.14 0.00 4.05 1.08 -1.81 -0.54 117.51 120.44 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 1.32 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1rf4 h ILE 307 CO 0.10 0.00 0.00 1.55 -0.69 0.00 0.00 178.15 179.11 1rf4 h PRO 308 N -0.42 0.00 -0.00 2.37 0.13 -1.85 0.26 132.00 132.48 1rf4 h PRO 308 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1rf4 h PRO 308 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1rf4 h PRO 308 CO -0.46 0.00 -0.01 0.54 -0.23 0.00 0.00 178.00 177.84 1rf4 n ARG 309 N -2.66 0.61 -0.65 0.86 1.74 -0.22 -4.17 116.66 112.17 1rf4 n ARG 309 Ca -0.00 -0.03 -0.02 0.00 -0.77 0.00 0.00 57.85 57.03 1rf4 n ARG 309 Cb 0.16 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.08 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 -1.17 -0.23 -0.25 0.55 -0.00 -0.39 -1.38 117.00 114.13 1rf4 n LEU 310 Ca 0.17 -1.28 0.05 0.00 -0.00 0.00 0.00 56.01 54.95 1rf4 n LEU 310 Cb 0.21 0.00 0.17 0.00 -0.00 0.00 0.00 43.42 43.80 1rf4 n LEU 310 CO 0.22 1.07 0.88 0.16 -0.00 0.00 0.00 177.39 179.71 1rf4 h ILE 311 N 5.17 0.42 0.00 1.47 -0.00 -0.72 0.13 117.51 123.99 1rf4 h ILE 311 Ca -0.15 -0.06 0.00 0.00 -0.00 0.00 0.00 64.86 64.65 1rf4 h ILE 311 Cb 1.15 0.23 0.00 0.00 -0.00 0.00 0.00 36.82 38.21 1rf4 h ILE 311 CO -0.07 0.03 0.00 0.47 -0.00 0.00 0.00 178.15 178.58 1rf4 n ASP 312 N -5.25 0.08 -0.33 2.16 8.00 -1.26 -2.78 116.55 117.16 1rf4 n ASP 312 Ca 0.14 0.52 0.11 0.00 0.71 0.00 0.00 54.79 56.27 1rf4 n ASP 312 Cb 0.47 -0.53 0.10 0.00 -0.02 0.00 0.00 41.12 41.14 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 -1.58 0.88 -0.02 -1.24 4.71 0.43 -4.31 120.64 119.51 1rf4 n GLU 313 Ca 0.04 -0.67 0.05 0.00 -0.01 0.00 0.00 57.16 56.57 1rf4 n GLU 313 Cb 0.23 -1.49 0.42 0.00 -1.01 0.00 0.00 31.44 29.59 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 1.64 0.48 0.17 -4.62 3.38 -1.33 0.24 115.31 115.27 1rf4 h LEU 314 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1rf4 h LEU 314 Cb 0.64 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1rf4 h LEU 314 CO 0.00 0.34 -0.08 -0.65 0.09 0.00 0.00 178.44 178.14 1rf4 h PRO 315 N 0.57 -0.22 0.00 1.13 0.11 -1.81 0.02 132.00 131.79 1rf4 h PRO 315 Ca 0.17 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.24 1rf4 h PRO 315 Cb 0.00 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1rf4 h PRO 315 CO -0.04 -0.09 -0.26 -0.84 -0.21 0.00 0.00 178.00 176.55 1rf4 h ILE 316 N -0.30 0.59 -0.13 4.15 -0.00 -1.76 -2.69 117.51 117.37 1rf4 h ILE 316 Ca -0.02 -1.29 -0.12 0.00 -0.00 0.00 0.00 64.86 63.42 1rf4 h ILE 316 Cb 0.23 1.88 -0.01 0.00 -0.00 0.00 0.00 36.82 38.92 1rf4 h ILE 316 CO 0.04 0.26 -0.45 0.40 -0.00 0.00 0.00 178.15 178.39 1rf4 h ILE 317 N 0.00 1.32 -0.44 0.16 2.04 -0.31 -0.53 117.51 119.76 1rf4 h ILE 317 Ca -0.00 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.22 1rf4 h ILE 317 Cb 0.86 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 1rf4 h ILE 317 CO 0.03 0.49 0.28 0.00 0.00 0.00 0.00 178.15 178.96 1rf4 h ALA 318 N 1.26 0.55 -0.50 1.87 0.00 -0.65 0.67 119.26 122.46 1rf4 h ALA 318 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1rf4 h ALA 318 Cb 0.91 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1rf4 h ALA 318 CO 0.07 0.02 0.29 1.25 0.00 0.00 0.00 179.25 180.88 1rf4 h LEU 319 N 0.58 0.61 -0.27 0.00 6.46 -1.38 0.46 115.31 121.79 1rf4 h LEU 319 Ca 0.16 -0.08 0.04 0.00 -0.12 0.00 0.00 57.88 57.88 1rf4 h LEU 319 Cb -0.05 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 39.69 1rf4 h LEU 319 CO -0.03 0.51 0.02 0.25 -0.62 0.00 0.00 178.44 178.57 1rf4 h LEU 320 N 0.66 -0.06 -1.25 2.25 5.85 -0.14 -1.60 115.31 121.02 1rf4 h LEU 320 Ca 0.18 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1rf4 h LEU 320 Cb 0.02 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1rf4 h LEU 320 CO -0.03 0.00 0.53 0.00 -0.34 0.00 0.00 178.44 178.60 1rf4 h ALA 321 N 1.21 1.55 -0.42 1.25 0.00 0.91 -0.96 119.26 122.79 1rf4 h ALA 321 Ca 0.12 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.13 1rf4 h ALA 321 Cb 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1rf4 h ALA 321 CO -0.19 0.35 0.32 1.15 0.00 0.00 0.00 179.25 180.88 1rf4 h THR 322 N 0.95 0.71 -0.01 0.00 2.02 0.10 -1.61 112.91 115.07 1rf4 h THR 322 Ca 0.33 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.51 1rf4 h THR 322 Cb 0.11 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1rf4 h THR 322 CO -0.11 0.00 -0.42 0.00 0.37 0.00 0.00 175.52 175.36 1rf4 n GLN 323 N -4.29 0.99 -3.13 6.66 1.13 -0.38 -0.22 117.38 118.14 1rf4 n GLN 323 Ca 0.07 -0.74 -0.31 0.00 -1.94 0.00 0.00 57.00 54.08 1rf4 n GLN 323 Cb 0.52 -1.48 -0.04 0.00 0.11 0.00 0.00 30.24 29.34 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 -2.52 3.44 0.07 -1.58 0.00 -0.60 -4.32 121.76 116.24 1rf4 s ALA 324 Ca 0.20 -0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 1rf4 s ALA 324 Cb 0.18 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.66 1rf4 s ALA 324 CO 0.57 0.22 1.10 -0.65 0.00 0.00 0.00 175.76 177.01 1rf4 s GLN 325 N -3.37 4.52 0.35 0.00 -1.52 0.64 -0.98 119.66 119.29 1rf4 s GLN 325 Ca 0.50 1.64 0.00 0.00 -1.95 0.00 0.00 55.36 55.55 1rf4 s GLN 325 Cb -0.11 -3.36 0.00 0.00 -0.22 0.00 0.00 33.01 29.32 1rf4 s GLN 325 CO 0.26 -0.10 0.00 0.41 -0.25 0.00 0.00 175.29 175.61 1rf4 n GLY 326 N 2.82 -2.24 3.86 3.09 0.00 -1.26 -1.09 105.19 110.37 1rf4 n GLY 326 Ca 0.06 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.24 4.97 -0.06 1.61 1.01 -1.26 0.16 120.40 126.59 1rf4 s VAL 327 Ca 0.00 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.59 1rf4 s VAL 327 Cb 0.00 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1rf4 s VAL 327 CO 0.00 0.20 -0.05 0.28 0.00 0.00 0.00 175.10 175.53 1rf4 s THR 328 N -1.50 0.65 -0.09 3.92 -1.32 0.24 -3.59 115.64 113.95 1rf4 s THR 328 Ca 0.38 -0.16 -0.02 0.00 -1.21 0.00 0.00 61.69 60.68 1rf4 s THR 328 Cb -0.14 -0.67 -0.03 0.00 -1.51 0.00 0.00 72.50 70.14 1rf4 s THR 328 CO 0.19 0.26 -0.00 -0.69 -2.21 0.00 0.00 174.62 172.17 1rf4 s VAL 329 N 1.10 4.26 -0.14 5.08 1.01 -0.81 -0.95 120.40 129.96 1rf4 s VAL 329 Ca -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1rf4 s VAL 329 Cb -0.14 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.46 1rf4 s VAL 329 CO -0.01 0.59 -0.13 -0.63 0.00 0.00 0.00 175.10 174.92 1rf4 s ILE 330 N -0.74 1.47 0.23 2.22 1.01 0.23 -0.85 121.20 124.77 1rf4 s ILE 330 Ca 0.12 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.18 1rf4 s ILE 330 Cb -0.12 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 1rf4 s ILE 330 CO 0.02 0.44 0.22 -1.59 0.00 0.00 0.00 174.94 174.03 1rf4 s LYS 331 N 1.51 1.35 -1.22 2.79 -2.85 -0.71 -1.41 119.74 119.21 1rf4 s LYS 331 Ca 0.05 -1.61 0.00 0.00 -1.00 0.00 0.00 55.97 53.40 1rf4 s LYS 331 Cb -0.13 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1rf4 s LYS 331 CO -0.10 -0.48 0.00 -0.25 0.10 0.00 0.00 175.35 174.62 1rf4 n ASP 332 N -0.47 -4.31 -1.51 0.03 10.43 -0.92 -4.17 116.55 115.64 1rf4 n ASP 332 Ca 0.02 0.23 -0.13 0.00 2.57 0.00 0.00 54.79 57.48 1rf4 n ASP 332 Cb 0.65 -3.00 0.10 0.00 1.84 0.00 0.00 41.12 40.71 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 0.63 4.62 0.29 2.24 0.00 -0.07 -4.74 120.51 123.48 1rf4 n ALA 333 Ca -0.12 -3.54 0.17 0.00 0.00 0.00 0.00 53.44 49.94 1rf4 n ALA 333 Cb 0.44 -0.48 0.96 0.00 0.00 0.00 0.00 19.45 20.37 1rf4 n ALA 333 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1rf4 h GLU 334 N 1.66 0.00 -0.01 0.00 9.09 -1.82 -1.13 114.58 122.38 1rf4 h GLU 334 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.67 1rf4 h GLU 334 Cb 1.35 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.45 1rf4 h GLU 334 CO 0.54 0.00 0.07 0.93 0.05 0.00 0.00 179.01 180.59 1rf4 h GLU 335 N 0.00 0.00 -0.61 1.06 4.39 -1.93 -2.54 114.58 114.95 1rf4 h GLU 335 Ca 0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1rf4 h GLU 335 Cb 0.14 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1rf4 h GLU 335 CO -0.00 0.00 0.36 -0.07 -1.16 0.00 0.00 179.01 178.14 1rf4 h LEU 336 N 0.00 0.74 -2.06 1.33 3.38 -1.60 -2.64 115.31 114.45 1rf4 h LEU 336 Ca 0.00 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1rf4 h LEU 336 Cb 0.13 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1rf4 h LEU 336 CO -0.00 0.58 0.33 0.11 0.09 0.00 0.00 178.44 179.55 1rf4 h LYS 337 N 0.83 0.00 -0.59 1.13 1.57 -1.67 -1.58 116.57 116.26 1rf4 h LYS 337 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1rf4 h LYS 337 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1rf4 h LYS 337 CO -0.04 0.00 0.00 1.55 -0.57 0.00 0.00 179.45 180.39 1rf4 n VAL 338 N -3.10 1.40 -1.10 0.50 3.14 -0.99 -3.97 118.33 114.20 1rf4 n VAL 338 Ca -0.00 -1.13 0.00 0.00 -2.96 0.00 0.00 64.34 60.25 1rf4 n VAL 338 Cb 0.40 0.31 0.00 0.00 -1.06 0.00 0.00 33.84 33.50 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 1.08 0.39 0.27 1.45 4.76 -0.65 -4.82 118.16 120.65 1rf4 n LYS 339 Ca 0.22 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.78 1rf4 n LYS 339 Cb 0.70 0.00 0.53 0.00 -1.84 0.00 0.00 35.03 34.43 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 -3.54 1.97 5.08 -1.93 -3.39 114.58 112.77 1rf4 h GLU 340 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1rf4 h GLU 340 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 1rf4 h GLU 340 CO 0.00 0.00 -0.06 0.95 -1.00 0.00 0.00 179.01 178.90 1rf4 s THR 341 N -4.15 0.00 -0.86 1.13 -4.23 -1.26 -4.72 115.64 101.56 1rf4 s THR 341 Ca -0.02 -1.34 -0.25 0.00 -1.18 0.00 0.00 61.69 58.90 1rf4 s THR 341 Cb 0.07 -2.18 0.02 0.00 1.34 0.00 0.00 72.50 71.76 1rf4 s THR 341 CO 0.23 0.00 1.48 -0.62 -0.54 0.00 0.00 174.62 175.17 1rf4 s ASP 342 N -3.00 6.10 0.00 3.99 -1.08 -1.25 -4.48 116.67 116.94 1rf4 s ASP 342 Ca 0.21 -0.80 0.10 0.00 -0.52 0.00 0.00 52.55 51.53 1rf4 s ASP 342 Cb -0.02 -2.56 0.54 0.00 -1.46 0.00 0.00 42.92 39.42 1rf4 s ASP 342 CO 0.09 -1.86 1.09 0.54 0.52 0.00 0.00 175.17 175.55 1rf4 n ARG 343 N 9.11 0.24 -0.09 4.34 1.74 -0.89 -1.10 116.66 130.01 1rf4 n ARG 343 Ca 0.21 0.08 -0.13 0.00 -0.77 0.00 0.00 57.85 57.23 1rf4 n ARG 343 Cb 0.50 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.37 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 0.53 0.07 0.55 2.04 -1.88 -3.28 117.51 115.54 1rf4 h ILE 344 Ca 0.00 -1.64 -0.00 0.00 1.00 0.00 0.00 64.86 64.22 1rf4 h ILE 344 Cb 0.03 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1rf4 h ILE 344 CO 0.00 0.18 -0.03 -0.61 0.00 0.00 0.00 178.15 177.69 1rf4 h GLN 345 N -1.00 -0.08 -0.66 2.37 5.75 -1.84 -1.58 115.11 118.07 1rf4 h GLN 345 Ca -0.17 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.31 1rf4 h GLN 345 Cb 0.89 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.43 1rf4 h GLN 345 CO -0.10 0.25 0.31 0.28 -2.65 0.00 0.00 178.83 176.92 1rf4 h VAL 346 N -0.43 1.23 -0.38 2.39 2.07 -1.35 0.53 116.25 120.30 1rf4 h VAL 346 Ca -0.01 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1rf4 h VAL 346 Cb 0.37 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1rf4 h VAL 346 CO 0.01 0.26 0.12 0.58 0.02 0.00 0.00 177.57 178.57 1rf4 h VAL 347 N 0.91 1.21 0.21 2.57 2.07 -1.62 0.47 116.25 122.07 1rf4 h VAL 347 Ca 0.23 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1rf4 h VAL 347 Cb 0.13 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1rf4 h VAL 347 CO -0.03 0.24 -0.10 0.00 0.02 0.00 0.00 177.57 177.71 1rf4 h ALA 348 N 0.97 -0.28 -0.18 1.67 0.00 -1.01 -1.59 119.26 118.83 1rf4 h ALA 348 Ca 0.12 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1rf4 h ALA 348 Cb 0.25 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1rf4 h ALA 348 CO -0.00 -0.65 0.03 -0.44 0.00 0.00 0.00 179.25 178.18 1rf4 h ASP 349 N -0.28 -0.01 0.12 0.00 3.32 -0.78 0.20 116.42 119.00 1rf4 h ASP 349 Ca -0.03 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1rf4 h ASP 349 Cb 0.22 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1rf4 h ASP 349 CO 0.05 0.02 -0.18 0.00 -1.72 0.00 0.00 179.24 177.41 1rf4 h ALA 350 N 1.14 -0.32 -0.12 3.45 0.00 -0.79 -1.21 119.26 121.41 1rf4 h ALA 350 Ca 0.08 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1rf4 h ALA 350 Cb 0.08 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1rf4 h ALA 350 CO -0.12 -0.71 -0.54 -0.07 0.00 0.00 0.00 179.25 177.82 1rf4 h LEU 351 N -0.36 0.39 -0.95 0.00 3.38 -1.24 -2.97 115.31 113.56 1rf4 h LEU 351 Ca 0.02 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1rf4 h LEU 351 Cb 0.37 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1rf4 h LEU 351 CO -0.08 0.85 -0.02 0.78 0.09 0.00 0.00 178.44 180.05 1rf4 h ASN 352 N 0.27 0.71 0.42 -0.43 2.35 -0.80 0.88 115.58 118.98 1rf4 h ASN 352 Ca 0.01 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1rf4 h ASN 352 Cb 1.03 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.21 1rf4 h ASN 352 CO 0.09 0.79 0.00 -1.54 -1.65 0.00 0.00 177.43 175.12 1rf4 n SER 353 N -4.22 0.17 -0.07 5.81 3.41 -0.47 -3.08 113.62 115.18 1rf4 n SER 353 Ca 0.02 0.55 -0.09 0.00 -0.26 0.00 0.00 58.87 59.10 1rf4 n SER 353 Cb 0.30 -0.58 -0.09 0.00 -0.26 0.00 0.00 64.21 63.58 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 -1.70 1.18 0.00 4.33 2.81 -0.25 -4.65 117.12 118.84 1rf4 n MET 354 Ca 0.02 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1rf4 n MET 354 Cb 0.14 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 2.47 0.00 7.00 3.03 0.00 0.14 0.12 105.19 117.95 1rf4 n GLY 355 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.44 0.00 -2.89 4.61 0.00 -0.82 -4.78 120.51 116.19 1rf4 n ALA 356 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1rf4 n ALA 356 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1rf4 n ALA 356 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rf4 n ASP 357 N 0.75 -2.51 -4.01 0.00 -0.08 -1.26 -4.83 116.55 104.61 1rf4 n ASP 357 Ca 0.00 -0.35 -0.30 0.00 -1.51 0.00 0.00 54.79 52.63 1rf4 n ASP 357 Cb 0.00 -3.17 -0.16 0.00 2.34 0.00 0.00 41.12 40.13 1rf4 n ASP 357 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1rf4 s ILE 358 N -3.20 1.54 -0.39 5.18 1.01 -1.26 -1.34 121.20 122.73 1rf4 s ILE 358 Ca 0.07 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 1rf4 s ILE 358 Cb -0.03 -1.47 0.03 0.00 0.01 0.00 0.00 42.46 41.01 1rf4 s ILE 358 CO 0.42 0.42 0.24 -0.89 0.00 0.00 0.00 174.94 175.14 1rf4 s THR 359 N 1.50 4.74 0.37 2.92 2.01 0.71 -4.94 115.64 122.93 1rf4 s THR 359 Ca 0.04 -0.88 -0.27 0.00 0.31 0.00 0.00 61.69 60.89 1rf4 s THR 359 Cb -0.13 -3.68 -0.09 0.00 0.01 0.00 0.00 72.50 68.61 1rf4 s THR 359 CO -0.10 -0.30 1.20 -2.16 -0.69 0.00 0.00 174.62 172.56 1rf4 s PRO 360 N 1.58 4.21 0.46 4.92 0.04 -1.26 -1.13 135.00 143.82 1rf4 s PRO 360 Ca 0.03 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.03 1rf4 s PRO 360 Cb -0.20 -2.85 -0.01 0.00 0.04 0.00 0.00 34.50 31.48 1rf4 s PRO 360 CO 0.07 -0.21 0.09 0.95 0.04 0.00 0.00 177.00 177.93 1rf4 s THR 361 N -1.31 0.76 0.35 1.26 -4.23 -0.09 -4.92 115.64 107.46 1rf4 s THR 361 Ca 0.53 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.15 1rf4 s THR 361 Cb -0.33 -2.22 0.08 0.00 1.34 0.00 0.00 72.50 71.36 1rf4 s THR 361 CO 0.43 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 176.30 1rf4 h ALA 362 N 1.58 1.31 0.00 3.99 0.00 -1.98 -3.25 119.26 120.91 1rf4 h ALA 362 Ca -0.38 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 1rf4 h ALA 362 Cb 1.29 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1rf4 h ALA 362 CO 0.62 0.51 -0.32 -0.40 0.00 0.00 0.00 179.25 179.66 1rf4 n ASP 363 N -4.07 1.79 0.00 0.00 3.85 -1.26 -4.61 116.55 112.25 1rf4 n ASP 363 Ca -0.02 -3.23 0.00 0.00 -0.71 0.00 0.00 54.79 50.83 1rf4 n ASP 363 Cb 0.43 -0.44 0.00 0.00 -1.35 0.00 0.00 41.12 39.76 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 -1.04 -0.41 3.47 6.12 0.00 -1.23 -0.90 105.19 111.22 1rf4 n GLY 364 Ca 0.15 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.13 1.14 -0.13 1.61 0.23 -0.50 -0.91 119.30 119.61 1rf4 s MET 365 Ca 0.00 -0.44 0.02 0.00 -1.03 0.00 0.00 55.69 54.24 1rf4 s MET 365 Cb 0.00 0.51 0.01 0.00 -1.53 0.00 0.00 34.83 33.83 1rf4 s MET 365 CO 0.00 -0.50 -0.18 0.42 -2.03 0.00 0.00 175.02 172.73 1rf4 s ILE 366 N -3.53 1.76 -0.16 3.16 1.01 -0.28 -0.60 121.20 122.57 1rf4 s ILE 366 Ca 0.03 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1rf4 s ILE 366 Cb -0.01 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.87 1rf4 s ILE 366 CO -0.10 0.49 -0.17 -0.63 0.00 0.00 0.00 174.94 174.53 1rf4 s ILE 367 N 0.99 2.44 -0.30 2.92 1.01 -0.12 -0.21 121.20 127.93 1rf4 s ILE 367 Ca -0.05 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 59.61 1rf4 s ILE 367 Cb -0.15 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 1rf4 s ILE 367 CO -0.03 0.52 0.38 -0.75 0.00 0.00 0.00 174.94 175.05 1rf4 s LYS 368 N 0.96 3.84 0.69 2.79 2.20 -0.45 -0.59 119.74 129.18 1rf4 s LYS 368 Ca -0.03 -0.13 -0.11 0.00 -0.36 0.00 0.00 55.97 55.34 1rf4 s LYS 368 Cb -0.15 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 1rf4 s LYS 368 CO -0.03 -0.38 1.06 0.20 -0.36 0.00 0.00 175.35 175.83 1rf4 s GLY 369 N 1.69 1.66 -0.12 5.54 0.00 0.41 -4.74 107.32 111.75 1rf4 s GLY 369 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 1rf4 s GLY 369 CO 0.11 0.28 0.13 0.28 0.00 0.00 0.00 173.10 173.90 1rf4 n LYS 370 N -3.06 -0.35 -4.87 2.90 4.76 0.69 -4.12 118.16 114.10 1rf4 n LYS 370 Ca 0.07 0.75 -0.33 0.00 -2.87 0.00 0.00 58.31 55.93 1rf4 n LYS 370 Cb 0.54 -2.33 -0.14 0.00 -1.84 0.00 0.00 35.03 31.26 1rf4 n LYS 370 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1rf4 s SER 371 N -1.80 3.87 0.12 4.39 0.01 -0.84 -5.02 113.70 114.43 1rf4 s SER 371 Ca 0.02 -0.34 -0.29 0.00 1.31 0.00 0.00 55.95 56.65 1rf4 s SER 371 Cb -0.01 -1.41 -0.06 0.00 0.21 0.00 0.00 66.02 64.75 1rf4 s SER 371 CO 0.15 0.20 0.93 0.00 0.41 0.00 0.00 173.24 174.94 1rf4 s ALA 372 N 0.12 3.27 0.15 1.44 0.00 -1.26 -4.85 121.76 120.64 1rf4 s ALA 372 Ca -0.07 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1rf4 s ALA 372 Cb -0.15 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1rf4 s ALA 372 CO 0.05 0.01 0.31 -0.51 0.00 0.00 0.00 175.76 175.62 1rf4 s LEU 373 N -0.14 4.31 0.27 0.00 1.43 -1.26 -4.58 118.68 118.70 1rf4 s LEU 373 Ca 0.45 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 1rf4 s LEU 373 Cb -0.23 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1rf4 s LEU 373 CO 0.29 0.04 0.13 -1.38 0.23 0.00 0.00 176.35 175.66 1rf4 s HIS 374 N -1.75 1.49 0.93 0.29 -3.43 0.33 -3.84 115.29 109.31 1rf4 s HIS 374 Ca 0.36 -1.31 -0.11 0.00 -0.80 0.00 0.00 55.06 53.19 1rf4 s HIS 374 Cb -0.11 -0.81 0.10 0.00 -1.43 0.00 0.00 32.58 30.32 1rf4 s HIS 374 CO 0.29 -0.49 0.79 0.41 -2.00 0.00 0.00 174.74 173.74 1rf4 n GLY 375 N -0.48 -1.16 0.00 -1.38 0.00 -1.26 -4.55 105.19 96.37 1rf4 n GLY 375 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1rf4 n GLY 375 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf4 n ALA 376 N -3.95 0.00 -2.99 4.61 0.00 0.14 -4.71 120.51 113.61 1rf4 n ALA 376 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.19 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 -0.03 0.00 3.52 -1.26 -1.46 118.95 121.43 1rf4 s ARG 377 Ca 0.00 -0.48 0.06 0.00 -0.13 0.00 0.00 55.73 55.18 1rf4 s ARG 377 Cb 0.00 -3.09 -0.01 0.00 -1.56 0.00 0.00 34.95 30.29 1rf4 s ARG 377 CO 0.00 0.11 -0.21 0.08 -0.81 0.00 0.00 175.30 174.46 1rf4 s VAL 378 N 0.76 1.71 -0.12 7.11 1.01 0.87 -4.95 120.40 126.79 1rf4 s VAL 378 Ca 0.01 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1rf4 s VAL 378 Cb -0.14 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1rf4 s VAL 378 CO 0.02 0.48 -0.02 0.21 0.00 0.00 0.00 175.10 175.80 1rf4 s ASN 379 N -0.39 5.01 0.23 3.32 2.47 -1.26 -0.58 114.94 123.73 1rf4 s ASN 379 Ca 0.05 0.01 -0.03 0.00 0.42 0.00 0.00 52.86 53.31 1rf4 s ASN 379 Cb -0.09 -1.58 0.23 0.00 -1.45 0.00 0.00 41.25 38.35 1rf4 s ASN 379 CO 0.00 0.28 1.66 0.74 -3.72 0.00 0.00 177.10 176.06 1rf4 h THR 380 N 4.60 1.27 -1.79 -5.21 2.02 -1.59 -3.47 112.91 108.74 1rf4 h THR 380 Ca -0.42 -1.28 -0.37 0.00 0.77 0.00 0.00 66.41 65.11 1rf4 h THR 380 Cb 1.19 1.18 -0.08 0.00 -1.74 0.00 0.00 68.15 68.70 1rf4 h THR 380 CO 0.59 0.43 -0.41 0.49 0.37 0.00 0.00 175.52 176.99 1rf4 n PHE 381 N -4.13 -0.46 -0.81 3.16 0.99 -1.26 -2.25 117.46 112.70 1rf4 n PHE 381 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1rf4 n PHE 381 Cb 0.41 -3.36 0.00 0.00 -1.00 0.00 0.00 39.48 35.53 1rf4 n PHE 381 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1rf4 n GLY 382 N -0.89 0.74 3.34 1.37 0.00 -1.26 -4.87 105.19 103.61 1rf4 n GLY 382 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.47 5.75 0.38 1.61 -1.08 -0.95 -4.91 116.67 115.01 1rf4 s ASP 383 Ca 0.00 -1.23 0.15 0.00 -0.52 0.00 0.00 52.55 50.95 1rf4 s ASP 383 Cb 0.00 -2.03 1.01 0.00 -1.46 0.00 0.00 42.92 40.44 1rf4 s ASP 383 CO 0.00 -0.48 1.80 1.12 0.52 0.00 0.00 175.17 178.13 1rf4 h HIS 384 N 8.47 0.71 -0.07 -5.34 2.07 -1.88 -1.45 115.15 117.66 1rf4 h HIS 384 Ca -0.25 0.02 -0.12 0.00 -2.85 0.00 0.00 60.37 57.18 1rf4 h HIS 384 Cb 1.10 -0.21 -0.01 0.00 2.57 0.00 0.00 27.41 30.85 1rf4 h HIS 384 CO 0.60 0.13 -0.48 0.00 -3.07 0.00 0.00 177.93 175.10 1rf4 h ARG 385 N 0.48 0.17 -0.53 5.12 3.08 -1.93 -1.49 114.38 119.28 1rf4 h ARG 385 Ca 0.55 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.40 1rf4 h ARG 385 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 1rf4 h ARG 385 CO -0.27 0.62 -0.06 0.82 -1.07 0.00 0.00 179.97 180.01 1rf4 h ILE 386 N 0.14 1.27 0.14 2.04 1.08 -1.59 -1.49 117.51 119.09 1rf4 h ILE 386 Ca 0.01 -1.20 -0.01 0.00 -0.39 0.00 0.00 64.86 63.27 1rf4 h ILE 386 Cb 0.91 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1rf4 h ILE 386 CO 0.07 0.42 -0.07 1.23 -0.69 0.00 0.00 178.15 179.12 1rf4 h GLY 387 N 0.86 -0.19 1.93 5.37 0.00 -1.23 -1.93 103.07 107.88 1rf4 h GLY 387 Ca 0.14 0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.49 1rf4 h GLY 387 CO 0.04 -0.07 -0.24 -0.33 0.00 0.00 0.00 176.54 175.94 1rf4 h MET 388 N -0.37 0.09 -0.18 4.80 2.86 -1.29 -1.07 114.93 119.76 1rf4 h MET 388 Ca -0.02 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1rf4 h MET 388 Cb 0.30 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1rf4 h MET 388 CO 0.03 0.32 0.03 1.98 1.06 0.00 0.00 176.91 180.34 1rf4 h MET 389 N 0.08 0.30 -0.69 1.72 -1.53 -1.15 -2.32 114.93 111.34 1rf4 h MET 389 Ca 0.01 -0.08 -0.03 0.00 -3.44 0.00 0.00 59.70 56.16 1rf4 h MET 389 Cb 0.47 -0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.45 1rf4 h MET 389 CO 0.03 0.46 0.30 1.15 0.14 0.00 0.00 176.91 178.99 1rf4 h THR 390 N 0.10 1.23 -0.52 -0.77 2.02 -0.97 -0.30 112.91 113.71 1rf4 h THR 390 Ca 0.06 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.56 1rf4 h THR 390 Cb 0.30 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1rf4 h THR 390 CO 0.00 0.29 0.33 0.00 0.37 0.00 0.00 175.52 176.51 1rf4 h ALA 391 N 1.34 0.66 -0.13 6.16 0.00 -0.96 0.16 119.26 126.48 1rf4 h ALA 391 Ca 0.24 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.93 1rf4 h ALA 391 Cb 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1rf4 h ALA 391 CO -0.02 0.06 -0.70 -0.84 0.00 0.00 0.00 179.25 177.74 1rf4 h ILE 392 N 0.66 1.33 -0.96 0.00 3.07 -1.06 -3.04 117.51 117.51 1rf4 h ILE 392 Ca 0.20 -2.00 0.03 0.00 1.55 0.00 0.00 64.86 64.64 1rf4 h ILE 392 Cb -0.04 1.98 -0.06 0.00 -0.27 0.00 0.00 36.82 38.44 1rf4 h ILE 392 CO -0.06 0.62 0.62 0.00 -1.05 0.00 0.00 178.15 178.28 1rf4 h ALA 393 N 0.80 1.26 -0.07 0.16 0.00 -0.56 -1.77 119.26 119.09 1rf4 h ALA 393 Ca -0.03 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1rf4 h ALA 393 Cb 1.29 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1rf4 h ALA 393 CO 0.13 0.51 0.05 0.00 0.00 0.00 0.00 179.25 179.94 1rf4 h ALA 394 N 1.39 2.06 0.00 0.00 0.00 -0.58 -1.62 119.26 120.51 1rf4 h ALA 394 Ca 0.38 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1rf4 h ALA 394 Cb -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rf4 h ALA 394 CO -0.12 -0.07 -0.05 -0.07 0.00 0.00 0.00 179.25 178.94 1rf4 h LEU 395 N 0.00 0.00 -0.57 0.00 3.38 -1.29 -1.81 115.31 115.03 1rf4 h LEU 395 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1rf4 h LEU 395 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1rf4 h LEU 395 CO -0.00 0.05 -0.14 0.18 0.09 0.00 0.00 178.44 178.62 1rf4 n LEU 396 N -4.11 1.02 -4.58 1.67 4.77 -0.61 -1.11 117.00 114.04 1rf4 n LEU 396 Ca -0.03 -0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.26 1rf4 n LEU 396 Cb 0.13 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1rf4 n LEU 396 CO 0.31 0.18 1.28 -0.69 -1.33 0.00 0.00 177.39 177.15 1rf4 s VAL 397 N -2.31 3.78 0.29 4.08 1.01 -0.68 -4.40 120.40 122.16 1rf4 s VAL 397 Ca 0.31 0.71 0.01 0.00 0.00 0.00 0.00 61.98 63.00 1rf4 s VAL 397 Cb 0.20 -4.30 0.12 0.00 0.00 0.00 0.00 36.38 32.39 1rf4 s VAL 397 CO 0.45 -1.00 1.79 0.00 0.00 0.00 0.00 175.10 176.33 1rf4 h ALA 398 N 11.28 1.19 -2.73 5.51 0.00 -1.88 -0.66 119.26 131.97 1rf4 h ALA 398 Ca -0.27 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 1rf4 h ALA 398 Cb 1.10 -0.16 -0.26 0.00 0.00 0.00 0.00 17.79 18.48 1rf4 h ALA 398 CO 1.15 0.52 -0.29 0.34 0.00 0.00 0.00 179.25 180.97 1rf4 s ASP 399 N -6.72 -0.45 0.00 0.00 3.68 -1.26 -4.75 116.67 107.17 1rf4 s ASP 399 Ca -0.08 0.82 0.00 0.00 2.13 0.00 0.00 52.55 55.42 1rf4 s ASP 399 Cb 0.15 0.76 0.00 0.00 -1.45 0.00 0.00 42.92 42.38 1rf4 s ASP 399 CO 0.79 -0.17 0.00 0.61 0.13 0.00 0.00 175.17 176.53 1rf4 n GLY 400 N 3.62 0.74 3.20 2.66 0.00 -1.26 -4.02 105.19 110.13 1rf4 n GLY 400 Ca -0.19 -2.30 -0.17 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.79 0.91 -0.13 1.61 0.41 -1.26 -4.75 118.70 114.71 1rf4 s GLU 401 Ca 0.00 -1.13 0.01 0.00 -0.41 0.00 0.00 54.97 53.44 1rf4 s GLU 401 Cb 0.00 -0.77 0.02 0.00 -1.78 0.00 0.00 34.13 31.60 1rf4 s GLU 401 CO 0.00 0.15 -0.15 0.54 -0.49 0.00 0.00 175.26 175.31 1rf4 s VAL 402 N -1.98 1.55 -0.16 2.63 0.11 -1.26 -0.68 120.40 120.61 1rf4 s VAL 402 Ca 0.05 -0.65 -0.05 0.00 -2.93 0.00 0.00 61.98 58.40 1rf4 s VAL 402 Cb -0.06 -1.43 -0.03 0.00 -1.53 0.00 0.00 36.38 33.33 1rf4 s VAL 402 CO 0.02 0.45 -0.00 -1.61 -3.33 0.00 0.00 175.10 170.63 1rf4 s GLU 403 N 1.18 3.69 -0.28 1.54 0.41 -0.54 -1.92 118.70 122.79 1rf4 s GLU 403 Ca -0.02 -0.45 0.02 0.00 -0.41 0.00 0.00 54.97 54.11 1rf4 s GLU 403 Cb -0.14 -2.99 0.06 0.00 -1.78 0.00 0.00 34.13 29.28 1rf4 s GLU 403 CO -0.05 0.31 -0.06 -1.17 -0.49 0.00 0.00 175.26 173.79 1rf4 s LEU 404 N 0.22 3.71 0.37 1.80 0.20 -0.37 -0.09 118.68 124.51 1rf4 s LEU 404 Ca -0.00 -1.44 -0.11 0.00 0.69 0.00 0.00 54.13 53.27 1rf4 s LEU 404 Cb -0.13 -1.61 -0.07 0.00 -0.43 0.00 0.00 46.19 43.95 1rf4 s LEU 404 CO 0.02 -0.23 0.74 -1.81 -0.29 0.00 0.00 176.35 174.78 1rf4 s ASP 405 N 1.14 6.58 -1.39 3.68 1.01 0.25 -0.22 116.67 127.73 1rf4 s ASP 405 Ca -0.06 1.14 -0.06 0.00 0.71 0.00 0.00 52.55 54.27 1rf4 s ASP 405 Cb -0.20 -2.32 0.03 0.00 1.01 0.00 0.00 42.92 41.44 1rf4 s ASP 405 CO -0.04 -0.33 0.90 -1.14 0.21 0.00 0.00 175.17 174.78 1rf4 n ARG 406 N -0.99 -5.74 0.25 8.23 0.63 -1.26 -1.79 116.66 115.98 1rf4 n ARG 406 Ca 0.02 0.66 0.13 0.00 -0.92 0.00 0.00 57.85 57.75 1rf4 n ARG 406 Cb 0.54 -5.46 0.57 0.00 0.45 0.00 0.00 32.46 28.55 1rf4 n ARG 406 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1rf4 h ALA 407 N 0.93 1.04 0.00 5.13 0.00 -1.96 -2.97 119.26 121.42 1rf4 h ALA 407 Ca -0.59 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1rf4 h ALA 407 Cb 1.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1rf4 h ALA 407 CO 0.60 0.17 0.00 -0.85 0.00 0.00 0.00 179.25 179.16 1rf4 n GLU 408 N -3.30 0.13 0.26 0.00 0.00 -1.26 -1.50 120.64 114.97 1rf4 n GLU 408 Ca 0.00 0.59 0.15 0.00 0.00 0.00 0.00 57.16 57.91 1rf4 n GLU 408 Cb 0.37 -1.89 0.88 0.00 0.00 0.00 0.00 31.44 30.79 1rf4 n GLU 408 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1rf4 h ALA 409 N 2.04 1.65 0.00 -1.84 0.00 -1.87 -1.43 119.26 117.81 1rf4 h ALA 409 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1rf4 h ALA 409 Cb 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1rf4 h ALA 409 CO 0.00 -0.10 -0.08 0.82 0.00 0.00 0.00 179.25 179.89 1rf4 h ILE 410 N 0.00 0.72 0.00 0.00 2.04 -1.53 -1.93 117.51 116.80 1rf4 h ILE 410 Ca 0.03 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1rf4 h ILE 410 Cb 0.17 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1rf4 h ILE 410 CO -0.00 0.07 0.00 0.59 0.00 0.00 0.00 178.15 178.81 1rf4 n ASN 411 N -3.96 0.00 0.19 1.72 3.02 -0.54 -1.35 115.26 114.34 1rf4 n ASN 411 Ca -0.03 -0.33 0.04 0.00 -0.03 0.00 0.00 54.58 54.24 1rf4 n ASN 411 Cb 0.17 -0.07 0.37 0.00 -0.61 0.00 0.00 39.78 39.63 1rf4 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rf4 h THR 412 N 0.00 1.05 0.00 3.41 1.03 -1.54 -0.27 112.91 116.60 1rf4 h THR 412 Ca 0.00 -1.41 0.00 0.00 -0.01 0.00 0.00 66.41 64.99 1rf4 h THR 412 Cb 0.03 1.81 0.00 0.00 -1.07 0.00 0.00 68.15 68.92 1rf4 h THR 412 CO 0.00 0.37 0.00 -1.54 -0.01 0.00 0.00 175.52 174.34 1rf4 n SER 413 N -3.77 0.00 -2.89 0.00 3.41 -1.08 -2.73 113.62 106.56 1rf4 n SER 413 Ca -0.01 -0.13 -0.12 0.00 -0.26 0.00 0.00 58.87 58.35 1rf4 n SER 413 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.00 -2.73 -0.32 7.33 -0.00 -0.46 -4.74 117.16 116.23 1rf4 n TYR 414 Ca 0.00 -2.11 0.03 0.00 -0.00 0.00 0.00 57.90 55.82 1rf4 n TYR 414 Cb 0.03 1.09 0.21 0.00 -0.00 0.00 0.00 39.34 40.67 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 4.44 1.07 -0.55 2.98 0.11 -1.76 -2.52 132.00 135.78 1rf4 h PRO 415 Ca -0.01 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1rf4 h PRO 415 Cb 1.01 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1rf4 h PRO 415 CO 0.27 0.71 0.00 -1.13 -0.21 0.00 0.00 178.00 177.64 1rf4 n SER 416 N -4.48 2.43 -0.14 -2.05 3.41 -1.26 -4.55 113.62 106.99 1rf4 n SER 416 Ca 0.14 -2.19 -0.09 0.00 -0.26 0.00 0.00 58.87 56.47 1rf4 n SER 416 Cb 0.17 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.70 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 1.94 -1.14 0.00 7.33 3.57 -1.83 -0.62 116.94 126.19 1rf4 h PHE 417 Ca 0.00 0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1rf4 h PHE 417 Cb 0.78 0.56 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 1rf4 h PHE 417 CO 0.35 -0.42 -0.21 0.74 -2.23 0.00 0.00 178.31 176.55 1rf4 h PHE 418 N -0.29 0.00 -0.17 0.41 0.04 -1.85 -1.41 116.94 113.67 1rf4 h PHE 418 Ca 0.16 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.90 1rf4 h PHE 418 Cb 0.57 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1rf4 h PHE 418 CO -0.61 0.21 -0.01 -0.44 -0.60 0.00 0.00 178.31 176.86 1rf4 h ASP 419 N 0.00 0.30 -0.87 2.17 3.45 -1.48 -1.38 116.42 118.62 1rf4 h ASP 419 Ca -0.00 -0.32 -0.02 0.00 0.43 0.00 0.00 57.03 57.12 1rf4 h ASP 419 Cb 0.54 -0.08 -0.04 0.00 -0.56 0.00 0.00 39.33 39.19 1rf4 h ASP 419 CO 0.03 0.55 0.46 0.44 -1.57 0.00 0.00 179.24 179.15 1rf4 h ASP 420 N 0.05 1.09 -0.20 6.45 3.45 -0.87 -1.99 116.42 124.41 1rf4 h ASP 420 Ca 0.05 -0.11 0.02 0.00 0.43 0.00 0.00 57.03 57.42 1rf4 h ASP 420 Cb 0.40 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 1rf4 h ASP 420 CO 0.01 0.89 0.06 0.25 -1.57 0.00 0.00 179.24 178.88 1rf4 h LEU 421 N 1.22 0.06 -1.26 1.55 5.85 -1.06 -2.18 115.31 119.48 1rf4 h LEU 421 Ca 0.30 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.10 1rf4 h LEU 421 Cb 0.05 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1rf4 h LEU 421 CO -0.05 0.06 0.53 -0.33 -0.34 0.00 0.00 178.44 178.32 1rf4 h GLU 422 N 0.15 0.88 0.00 1.25 4.39 -0.87 -1.80 114.58 118.58 1rf4 h GLU 422 Ca 0.09 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 1rf4 h GLU 422 Cb 0.06 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1rf4 h GLU 422 CO -0.09 0.58 -0.33 0.66 -1.16 0.00 0.00 179.01 178.67 1rf4 h SER 423 N 0.91 0.00 0.66 1.42 4.64 -0.75 -2.95 113.55 117.47 1rf4 h SER 423 Ca 0.34 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.39 1rf4 h SER 423 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1rf4 h SER 423 CO -0.12 0.33 -1.28 -0.07 -0.87 0.00 0.00 176.83 174.82 1rf4 h LEU 424 N 0.00 0.32 -2.20 5.97 3.38 -0.93 -3.31 115.31 118.54 1rf4 h LEU 424 Ca -0.00 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1rf4 h LEU 424 Cb 0.60 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1rf4 h LEU 424 CO 0.04 1.29 -0.06 0.40 0.09 0.00 0.00 178.44 180.20 1rf4 h ILE 425 N 0.06 0.44 -3.64 1.22 2.04 -1.21 -2.89 117.51 113.53 1rf4 h ILE 425 Ca -0.14 -0.31 -0.69 0.00 1.00 0.00 0.00 64.86 64.72 1rf4 h ILE 425 Cb 1.94 1.21 -0.27 0.00 -0.74 0.00 0.00 36.82 38.96 1rf4 h ILE 425 CO 0.18 0.06 -0.59 -1.00 0.00 0.00 0.00 178.15 176.79 1rf4 s HIS 426 N -4.28 3.22 0.00 1.37 3.76 -1.20 -4.92 115.29 113.25 1rf4 s HIS 426 Ca -0.03 -1.19 0.00 0.00 -0.15 0.00 0.00 55.06 53.68 1rf4 s HIS 426 Cb 0.13 -2.30 0.00 0.00 1.11 0.00 0.00 32.58 31.52 1rf4 s HIS 426 CO 0.55 -0.67 0.00 0.41 -0.85 0.00 0.00 174.74 174.18