#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sf2 s SER 3 N 0.00 5.23 0.10 0.53 1.04 -1.26 -4.41 113.70 114.93 1sf2 s SER 3 Ca 0.00 -0.35 -0.23 0.00 0.48 0.00 0.00 55.95 55.85 1sf2 s SER 3 Cb 0.00 -1.24 -0.13 0.00 0.10 0.00 0.00 66.02 64.75 1sf2 s SER 3 CO 0.00 -0.01 1.72 0.78 0.98 0.00 0.00 173.24 176.71 1sf2 h ASN 4 N 1.73 -0.12 -0.59 7.02 2.35 -1.93 -0.77 115.58 123.26 1sf2 h ASN 4 Ca -0.47 0.02 0.09 0.00 -0.55 0.00 0.00 56.30 55.38 1sf2 h ASN 4 Cb 1.24 0.05 -0.07 0.00 0.05 0.00 0.00 38.32 39.59 1sf2 h ASN 4 CO 0.61 -0.07 0.23 0.50 -1.65 0.00 0.00 177.43 177.05 1sf2 h LYS 5 N -0.09 0.40 -0.27 0.81 3.64 -1.96 0.22 116.57 119.32 1sf2 h LYS 5 Ca 0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1sf2 h LYS 5 Cb 0.10 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1sf2 h LYS 5 CO -0.03 0.27 0.18 1.49 -2.27 0.00 0.00 179.45 179.08 1sf2 h GLU 6 N 0.42 0.37 -0.14 1.90 4.81 -1.91 -1.38 114.58 118.64 1sf2 h GLU 6 Ca 0.30 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 1sf2 h GLU 6 Cb 0.35 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1sf2 h GLU 6 CO -0.29 0.26 -0.26 -0.07 -0.73 0.00 0.00 179.01 177.92 1sf2 h LEU 7 N 0.36 0.26 -0.83 1.64 3.38 -0.38 -2.39 115.31 117.35 1sf2 h LEU 7 Ca 0.10 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1sf2 h LEU 7 Cb -0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1sf2 h LEU 7 CO -0.02 0.52 -0.41 0.24 0.09 0.00 0.00 178.44 178.86 1sf2 h MET 8 N 0.24 0.36 -0.32 1.13 2.86 -0.06 -0.47 114.93 118.68 1sf2 h MET 8 Ca 0.04 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1sf2 h MET 8 Cb 0.59 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1sf2 h MET 8 CO 0.04 0.72 0.10 1.96 1.06 0.00 0.00 176.91 180.79 1sf2 h GLN 9 N 0.30 0.49 -0.52 1.72 4.20 -0.80 -1.86 115.11 118.64 1sf2 h GLN 9 Ca 0.03 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1sf2 h GLN 9 Cb 0.85 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 1sf2 h GLN 9 CO 0.07 0.53 0.24 0.00 -0.67 0.00 0.00 178.83 179.00 1sf2 h ARG 10 N 0.35 0.73 0.05 1.46 3.08 -1.22 -2.64 114.38 116.19 1sf2 h ARG 10 Ca 0.10 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.08 1sf2 h ARG 10 Cb 0.24 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1sf2 h ARG 10 CO -0.00 0.57 -0.18 -0.09 -1.07 0.00 0.00 179.97 179.19 1sf2 h ARG 11 N 0.73 -0.31 0.00 0.04 2.43 -0.32 -1.30 114.38 115.64 1sf2 h ARG 11 Ca 0.18 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1sf2 h ARG 11 Cb 0.09 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1sf2 h ARG 11 CO -0.02 -0.21 -0.02 0.66 -1.51 0.00 0.00 179.97 178.87 1sf2 h SER 12 N -0.32 0.00 0.71 -3.80 4.64 -1.03 0.46 113.55 114.21 1sf2 h SER 12 Ca 0.04 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.10 1sf2 h SER 12 Cb 0.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1sf2 h SER 12 CO -0.14 0.02 -1.27 1.56 -0.87 0.00 0.00 176.83 176.14 1sf2 h GLN 13 N 0.00 0.14 0.00 4.77 1.08 -1.09 -3.40 115.11 116.61 1sf2 h GLN 13 Ca -0.00 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1sf2 h GLN 13 Cb 0.05 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1sf2 h GLN 13 CO 0.00 1.05 -1.22 0.00 -0.95 0.00 0.00 178.83 177.71 1sf2 n ALA 14 N -2.50 2.61 -2.36 3.87 0.00 -0.56 -5.03 120.51 116.55 1sf2 n ALA 14 Ca -0.08 -0.25 -0.29 0.00 0.00 0.00 0.00 53.44 52.81 1sf2 n ALA 14 Cb 1.00 -0.36 -0.15 0.00 0.00 0.00 0.00 19.45 19.95 1sf2 n ALA 14 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sf2 s ILE 15 N -2.52 2.01 0.44 0.00 1.01 0.15 -5.08 121.20 117.22 1sf2 s ILE 15 Ca -0.02 -1.25 -0.25 0.00 0.00 0.00 0.00 60.65 59.13 1sf2 s ILE 15 Cb 0.07 -1.70 -0.08 0.00 0.01 0.00 0.00 42.46 40.75 1sf2 s ILE 15 CO 0.42 0.41 1.40 -2.16 0.00 0.00 0.00 174.94 175.01 1sf2 s PRO 16 N -1.01 3.72 0.35 2.79 0.04 -1.26 -4.57 135.00 135.06 1sf2 s PRO 16 Ca 0.10 2.35 0.27 0.00 0.04 0.00 0.00 61.00 63.76 1sf2 s PRO 16 Cb -0.10 -2.66 1.13 0.00 0.04 0.00 0.00 34.50 32.91 1sf2 s PRO 16 CO 0.01 -0.76 1.80 0.07 0.04 0.00 0.00 177.00 178.15 1sf2 h ARG 17 N 2.36 0.00 -0.18 4.56 0.11 -1.94 -2.59 114.38 116.70 1sf2 h ARG 17 Ca -0.51 0.00 0.04 0.00 0.10 0.00 0.00 59.98 59.62 1sf2 h ARG 17 Cb 1.26 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.33 1sf2 h ARG 17 CO 0.61 0.00 0.13 0.78 0.10 0.00 0.00 179.97 181.59 1sf2 h GLY 18 N 2.03 0.06 -7.24 0.08 0.00 -2.04 -3.34 103.07 92.62 1sf2 h GLY 18 Ca 0.00 -0.02 -0.54 0.00 0.00 0.00 0.00 47.33 46.77 1sf2 h GLY 18 CO 0.00 0.02 1.05 0.14 0.00 0.00 0.00 176.54 177.74 1sf2 s VAL 19 N -5.09 3.80 0.91 4.60 1.01 -0.98 -4.99 120.40 119.66 1sf2 s VAL 19 Ca -0.05 0.56 -0.11 0.00 0.00 0.00 0.00 61.98 62.38 1sf2 s VAL 19 Cb 0.18 -4.82 0.14 0.00 0.00 0.00 0.00 36.38 31.88 1sf2 s VAL 19 CO 0.69 -1.66 1.11 -0.83 0.00 0.00 0.00 175.10 174.41 1sf2 s GLY 20 N 3.65 1.66 -0.35 4.51 0.00 -1.25 -4.98 107.32 110.56 1sf2 s GLY 20 Ca 0.39 0.35 -0.00 0.00 0.00 0.00 0.00 44.72 45.45 1sf2 s GLY 20 CO 0.19 0.80 0.15 1.62 0.00 0.00 0.00 173.10 175.86 1sf2 s GLN 21 N -4.71 0.75 0.11 2.90 2.00 -1.26 -5.01 119.66 114.43 1sf2 s GLN 21 Ca 0.65 -1.26 -0.24 0.00 -2.00 0.00 0.00 55.36 52.51 1sf2 s GLN 21 Cb -0.21 -1.84 -0.09 0.00 0.80 0.00 0.00 33.01 31.67 1sf2 s GLN 21 CO 0.58 -1.07 1.69 0.82 -0.50 0.00 0.00 175.29 176.81 1sf2 h ILE 22 N 5.94 0.69 -3.22 -2.34 1.08 -2.01 -3.40 117.51 114.25 1sf2 h ILE 22 Ca -0.08 0.00 -0.67 0.00 -0.39 0.00 0.00 64.86 63.72 1sf2 h ILE 22 Cb 0.99 0.69 -0.32 0.00 -3.07 0.00 0.00 36.82 35.10 1sf2 h ILE 22 CO 0.44 0.00 -0.83 -1.00 -0.69 0.00 0.00 178.15 176.07 1sf2 s HIS 23 N -6.15 2.76 -1.45 1.37 3.76 -1.26 -5.02 115.29 109.31 1sf2 s HIS 23 Ca -0.14 -1.23 -0.09 0.00 -0.15 0.00 0.00 55.06 53.44 1sf2 s HIS 23 Cb 0.08 -1.89 -0.08 0.00 1.11 0.00 0.00 32.58 31.81 1sf2 s HIS 23 CO 0.66 -0.58 2.73 -0.35 -0.85 0.00 0.00 174.74 176.35 1sf2 n PRO 24 N 4.21 3.27 -4.38 8.40 -0.04 -1.26 -4.82 135.00 140.37 1sf2 n PRO 24 Ca -0.20 -2.04 -0.20 0.00 -0.04 0.00 0.00 63.50 61.02 1sf2 n PRO 24 Cb 0.51 -2.74 -0.15 0.00 -0.04 0.00 0.00 33.50 31.08 1sf2 n PRO 24 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1sf2 s ILE 25 N 2.53 0.77 -0.45 0.52 1.01 -1.26 -4.80 121.20 119.52 1sf2 s ILE 25 Ca 0.62 -0.36 -0.13 0.00 0.00 0.00 0.00 60.65 60.77 1sf2 s ILE 25 Cb 0.16 -0.68 0.07 0.00 0.01 0.00 0.00 42.46 42.03 1sf2 s ILE 25 CO -0.05 0.24 0.34 -0.36 0.00 0.00 0.00 174.94 175.11 1sf2 s PHE 26 N 0.12 3.28 0.39 3.97 0.40 -1.26 -5.06 117.98 119.82 1sf2 s PHE 26 Ca -0.02 -1.14 -0.27 0.00 -0.60 0.00 0.00 56.93 54.90 1sf2 s PHE 26 Cb -0.08 -3.07 -0.09 0.00 0.51 0.00 0.00 43.02 40.29 1sf2 s PHE 26 CO 0.00 -0.81 1.31 0.00 0.70 0.00 0.00 175.22 176.42 1sf2 s ALA 27 N 1.56 3.31 -0.13 5.36 0.00 -1.26 -0.92 121.76 129.68 1sf2 s ALA 27 Ca 0.04 1.25 -0.08 0.00 0.00 0.00 0.00 51.96 53.17 1sf2 s ALA 27 Cb -0.24 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.34 1sf2 s ALA 27 CO 0.05 -0.80 -0.19 -3.47 0.00 0.00 0.00 175.76 171.35 1sf2 n ASP 28 N 0.26 1.16 -4.09 0.00 2.03 0.13 -4.72 116.55 111.32 1sf2 n ASP 28 Ca 0.03 0.20 -0.10 0.00 0.52 0.00 0.00 54.79 55.43 1sf2 n ASP 28 Cb 0.43 -0.47 -0.09 0.00 -0.72 0.00 0.00 41.12 40.28 1sf2 n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sf2 s ARG 29 N -2.32 1.14 0.13 -0.67 1.70 -1.08 -5.01 118.95 112.84 1sf2 s ARG 29 Ca -0.20 -1.39 -0.18 0.00 -0.47 0.00 0.00 55.73 53.50 1sf2 s ARG 29 Cb 0.07 0.32 0.04 0.00 -0.57 0.00 0.00 34.95 34.81 1sf2 s ARG 29 CO 0.26 -0.39 0.45 0.00 -1.08 0.00 0.00 175.30 174.54 1sf2 s ALA 30 N -4.05 -1.08 -0.29 7.88 0.00 -1.26 -0.64 121.76 122.32 1sf2 s ALA 30 Ca 0.26 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 1sf2 s ALA 30 Cb 0.05 0.74 0.16 0.00 0.00 0.00 0.00 23.12 24.07 1sf2 s ALA 30 CO 0.05 -0.67 0.59 -2.00 0.00 0.00 0.00 175.76 173.73 1sf2 s GLU 31 N -3.79 0.55 3.37 0.00 2.12 0.01 -4.75 118.70 116.21 1sf2 s GLU 31 Ca 0.03 1.12 0.00 0.00 0.36 0.00 0.00 54.97 56.48 1sf2 s GLU 31 Cb 0.01 0.58 0.00 0.00 0.26 0.00 0.00 34.13 34.98 1sf2 s GLU 31 CO -0.12 -0.47 0.00 -1.71 -0.54 0.00 0.00 175.26 172.42 1sf2 n ASN 32 N 5.43 0.00 -0.63 -1.70 4.05 0.04 -1.21 115.26 121.24 1sf2 n ASN 32 Ca -0.05 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.06 1sf2 n ASN 32 Cb 0.50 0.00 0.08 0.00 1.23 0.00 0.00 39.78 41.59 1sf2 n ASN 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1sf2 s ARG 34 N -1.25 3.14 -0.01 0.00 0.52 -0.35 -0.17 118.95 120.84 1sf2 s ARG 34 Ca 0.19 -0.47 -0.00 0.00 -0.52 0.00 0.00 55.73 54.93 1sf2 s ARG 34 Cb 0.13 -2.90 0.01 0.00 0.52 0.00 0.00 34.95 32.70 1sf2 s ARG 34 CO 0.19 0.65 0.01 0.08 0.02 0.00 0.00 175.30 176.25 1sf2 s VAL 35 N -1.25 -0.01 -0.09 3.52 1.01 -0.68 -0.81 120.40 122.09 1sf2 s VAL 35 Ca 0.25 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1sf2 s VAL 35 Cb -0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 1sf2 s VAL 35 CO 0.16 0.02 -0.14 0.26 0.00 0.00 0.00 175.10 175.40 1sf2 s TRP 36 N 0.27 2.74 0.77 5.22 0.51 0.18 0.29 118.94 128.92 1sf2 s TRP 36 Ca -0.02 -0.44 -0.06 0.00 -2.12 0.00 0.00 56.10 53.46 1sf2 s TRP 36 Cb -0.03 -1.74 0.16 0.00 -0.81 0.00 0.00 33.47 31.05 1sf2 s TRP 36 CO -0.01 -0.04 1.05 -0.40 -0.51 0.00 0.00 176.95 177.04 1sf2 n ASP 37 N 2.96 0.77 0.04 2.95 5.68 -0.02 0.19 116.55 129.12 1sf2 n ASP 37 Ca -0.18 -1.80 0.07 0.00 -0.50 0.00 0.00 54.79 52.38 1sf2 n ASP 37 Cb 0.52 -0.74 0.30 0.00 -1.14 0.00 0.00 41.12 40.07 1sf2 n ASP 37 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1sf2 n VAL 38 N -3.13 1.20 1.02 2.12 0.24 -0.09 -1.38 118.33 118.30 1sf2 n VAL 38 Ca 0.15 0.35 0.12 0.00 -2.04 0.00 0.00 64.34 62.92 1sf2 n VAL 38 Cb 0.54 -1.22 0.06 0.00 -1.47 0.00 0.00 33.84 31.74 1sf2 n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1sf2 n GLU 39 N -1.73 1.66 -0.27 7.34 1.02 -1.26 -4.83 120.64 122.56 1sf2 n GLU 39 Ca 0.02 -1.36 0.00 0.00 -0.02 0.00 0.00 57.16 55.80 1sf2 n GLU 39 Cb 0.13 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1sf2 n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sf2 n GLY 40 N 1.39 0.66 3.77 0.62 0.00 -0.48 -5.05 105.19 106.09 1sf2 n GLY 40 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1sf2 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sf2 s ARG 41 N -0.71 4.39 -0.11 1.61 3.52 -1.26 -4.70 118.95 121.69 1sf2 s ARG 41 Ca 0.00 1.85 -0.08 0.00 -0.13 0.00 0.00 55.73 57.37 1sf2 s ARG 41 Cb 0.00 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 1sf2 s ARG 41 CO 0.00 -0.03 0.17 -2.00 -0.81 0.00 0.00 175.30 172.63 1sf2 s GLU 42 N -1.83 3.54 0.09 5.12 2.12 -1.26 -0.84 118.70 125.64 1sf2 s GLU 42 Ca 0.50 -0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.80 1sf2 s GLU 42 Cb -0.32 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 1sf2 s GLU 42 CO 0.41 0.74 -0.14 0.71 -0.54 0.00 0.00 175.26 176.44 1sf2 s TYR 43 N -0.93 1.26 -0.21 5.30 1.51 0.14 -4.82 117.35 119.59 1sf2 s TYR 43 Ca 0.15 -0.52 -0.14 0.00 -1.01 0.00 0.00 57.07 55.55 1sf2 s TYR 43 Cb -0.12 -0.69 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 1sf2 s TYR 43 CO 0.05 0.08 0.34 -1.17 -1.11 0.00 0.00 175.55 173.73 1sf2 s LEU 44 N -2.09 4.14 -0.63 -1.29 2.96 0.35 -1.68 118.68 120.43 1sf2 s LEU 44 Ca 0.03 0.40 -0.19 0.00 -0.22 0.00 0.00 54.13 54.15 1sf2 s LEU 44 Cb -0.07 -2.41 0.10 0.00 0.50 0.00 0.00 46.19 44.32 1sf2 s LEU 44 CO 0.02 -0.05 0.76 -0.62 -1.32 0.00 0.00 176.35 175.15 1sf2 s ASP 45 N 1.08 6.22 0.00 3.68 2.15 0.76 -1.29 116.67 129.27 1sf2 s ASP 45 Ca 0.16 -1.45 0.22 0.00 0.43 0.00 0.00 52.55 51.91 1sf2 s ASP 45 Cb -0.14 -2.32 0.51 0.00 -0.30 0.00 0.00 42.92 40.67 1sf2 s ASP 45 CO 0.07 -1.14 1.44 0.49 -0.17 0.00 0.00 175.17 175.87 1sf2 n PHE 46 N 6.45 0.57 -0.11 -5.34 3.01 -0.58 -4.16 117.46 117.29 1sf2 n PHE 46 Ca -0.06 -0.29 -0.14 0.00 1.01 0.00 0.00 57.45 57.97 1sf2 n PHE 46 Cb 0.43 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.77 1sf2 n PHE 46 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1sf2 n ALA 47 N 1.34 1.48 -2.59 4.37 0.00 -1.17 -0.15 120.51 123.80 1sf2 n ALA 47 Ca 0.20 -1.16 -0.17 0.00 0.00 0.00 0.00 53.44 52.31 1sf2 n ALA 47 Cb 0.56 -0.11 0.01 0.00 0.00 0.00 0.00 19.45 19.91 1sf2 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sf2 n GLY 48 N 2.10 -0.29 2.34 0.00 0.00 -1.25 -1.95 105.19 106.14 1sf2 n GLY 48 Ca -0.40 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 1sf2 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sf2 n GLY 49 N -1.19 0.80 2.17 -0.02 0.00 -1.26 -1.74 105.19 103.93 1sf2 n GLY 49 Ca -0.14 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 1sf2 n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sf2 n ILE 50 N -3.15 -4.53 -1.80 -0.61 5.41 -0.82 -4.03 119.36 109.82 1sf2 n ILE 50 Ca -0.14 -0.31 -0.19 0.00 1.00 0.00 0.00 62.75 63.11 1sf2 n ILE 50 Cb 0.51 -4.68 -0.06 0.00 -0.71 0.00 0.00 39.64 34.70 1sf2 n ILE 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sf2 n ALA 51 N -1.73 -0.37 0.22 -1.39 0.00 -1.05 -4.86 120.51 111.34 1sf2 n ALA 51 Ca -0.01 0.26 0.11 0.00 0.00 0.00 0.00 53.44 53.79 1sf2 n ALA 51 Cb 0.52 -1.94 -0.09 0.00 0.00 0.00 0.00 19.45 17.94 1sf2 n ALA 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sf2 n VAL 52 N -2.94 0.18 -2.45 0.00 0.31 -0.71 -2.88 118.33 109.84 1sf2 n VAL 52 Ca -0.20 -0.42 -0.30 0.00 -0.01 0.00 0.00 64.34 63.41 1sf2 n VAL 52 Cb 0.63 0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.61 1sf2 n VAL 52 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1sf2 n LEU 53 N -2.23 5.41 0.32 7.52 4.77 -0.81 -3.59 117.00 128.39 1sf2 n LEU 53 Ca -0.01 -5.23 0.21 0.00 -0.03 0.00 0.00 56.01 50.95 1sf2 n LEU 53 Cb 0.52 -0.64 1.09 0.00 -2.33 0.00 0.00 43.42 42.05 1sf2 n LEU 53 CO 0.43 2.15 1.13 0.78 -1.33 0.00 0.00 177.39 180.56 1sf2 h ASN 54 N 2.83 0.00 -0.60 -1.43 2.35 -1.86 0.27 115.58 117.14 1sf2 h ASN 54 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1sf2 h ASN 54 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1sf2 h ASN 54 CO 0.99 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 177.12 1sf2 n THR 55 N -3.05 1.00 0.00 2.81 -2.24 -1.26 -0.68 114.28 110.85 1sf2 n THR 55 Ca -0.02 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 1sf2 n THR 55 Cb 0.12 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1sf2 n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sf2 n GLY 56 N 1.25 -1.82 3.71 3.38 0.00 0.94 -4.41 105.19 108.24 1sf2 n GLY 56 Ca 0.20 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1sf2 n GLY 56 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sf2 s HIS 57 N -2.03 3.07 -1.11 1.61 3.76 -0.38 -3.85 115.29 116.35 1sf2 s HIS 57 Ca 0.00 0.84 -0.24 0.00 -0.15 0.00 0.00 55.06 55.51 1sf2 s HIS 57 Cb 0.00 -3.72 0.02 0.00 1.11 0.00 0.00 32.58 29.99 1sf2 s HIS 57 CO 0.00 -2.60 0.70 1.28 -0.85 0.00 0.00 174.74 173.27 1sf2 n LEU 58 N 4.43 -1.41 -4.72 0.89 4.77 -1.26 -0.78 117.00 118.93 1sf2 n LEU 58 Ca 0.12 -1.13 -0.42 0.00 -0.03 0.00 0.00 56.01 54.55 1sf2 n LEU 58 Cb 0.42 -1.87 -0.03 0.00 -2.33 0.00 0.00 43.42 39.61 1sf2 n LEU 58 CO 0.59 0.59 1.27 -2.28 -1.33 0.00 0.00 177.39 176.23 1sf2 s HIS 59 N -3.39 2.97 0.24 -1.77 2.46 -1.25 -4.75 115.29 109.79 1sf2 s HIS 59 Ca 0.39 0.54 -0.07 0.00 0.47 0.00 0.00 55.06 56.38 1sf2 s HIS 59 Cb -0.19 -3.98 0.41 0.00 -0.13 0.00 0.00 32.58 28.69 1sf2 s HIS 59 CO 0.92 -3.66 1.65 -1.35 -2.47 0.00 0.00 174.74 169.84 1sf2 h PRO 60 N 6.94 0.13 -0.53 2.88 0.11 -1.93 0.34 132.00 139.94 1sf2 h PRO 60 Ca -0.43 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1sf2 h PRO 60 Cb 1.20 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1sf2 h PRO 60 CO 0.92 0.09 0.20 0.87 -0.21 0.00 0.00 178.00 179.87 1sf2 h LYS 61 N 0.13 0.80 0.08 1.05 6.56 -1.98 0.62 116.57 123.84 1sf2 h LYS 61 Ca 0.39 -0.16 -0.00 0.00 -1.06 0.00 0.00 60.65 59.82 1sf2 h LYS 61 Cb 0.68 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.21 1sf2 h LYS 61 CO -0.60 0.72 -0.04 0.28 -2.06 0.00 0.00 179.45 177.74 1sf2 h VAL 62 N 0.72 1.09 -0.78 0.50 2.07 -1.58 -2.02 116.25 116.24 1sf2 h VAL 62 Ca 0.17 -0.61 0.07 0.00 0.82 0.00 0.00 66.70 67.15 1sf2 h VAL 62 Cb 0.23 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 1sf2 h VAL 62 CO -0.01 0.15 0.46 0.58 0.02 0.00 0.00 177.57 178.77 1sf2 h VAL 63 N -0.39 0.99 -0.74 2.57 2.07 -0.30 -0.53 116.25 119.92 1sf2 h VAL 63 Ca -0.01 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 1sf2 h VAL 63 Cb 0.33 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1sf2 h VAL 63 CO 0.02 0.15 0.23 0.00 0.02 0.00 0.00 177.57 177.99 1sf2 h ALA 64 N 1.39 1.00 -0.10 1.67 0.00 -0.79 -0.20 119.26 122.24 1sf2 h ALA 64 Ca 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1sf2 h ALA 64 Cb 0.21 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1sf2 h ALA 64 CO -0.19 0.67 0.04 0.00 0.00 0.00 0.00 179.25 179.77 1sf2 h ALA 65 N 1.14 0.13 -0.95 0.00 0.00 -0.60 -1.61 119.26 117.38 1sf2 h ALA 65 Ca 0.24 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1sf2 h ALA 65 Cb 0.31 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1sf2 h ALA 65 CO -0.01 -0.28 0.61 0.28 0.00 0.00 0.00 179.25 179.85 1sf2 h VAL 66 N 0.01 1.12 -0.60 0.00 2.07 -0.84 -1.54 116.25 116.46 1sf2 h VAL 66 Ca 0.03 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 1sf2 h VAL 66 Cb 0.17 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 1sf2 h VAL 66 CO -0.00 0.21 0.07 -0.33 0.02 0.00 0.00 177.57 177.53 1sf2 h GLU 67 N 1.15 1.00 -0.26 1.57 5.08 -0.77 -1.90 114.58 120.45 1sf2 h GLU 67 Ca 0.39 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1sf2 h GLU 67 Cb 0.08 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1sf2 h GLU 67 CO -0.15 0.94 0.14 0.00 -1.00 0.00 0.00 179.01 178.94 1sf2 h ALA 68 N 1.13 0.34 0.00 3.43 0.00 -0.71 -2.70 119.26 120.75 1sf2 h ALA 68 Ca 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1sf2 h ALA 68 Cb 0.45 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sf2 h ALA 68 CO 0.02 -0.12 -0.13 0.37 0.00 0.00 0.00 179.25 179.39 1sf2 h GLN 69 N 0.30 0.00 0.00 0.00 5.75 -1.00 -2.16 115.11 118.01 1sf2 h GLN 69 Ca 0.09 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1sf2 h GLN 69 Cb 0.09 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.64 1sf2 h GLN 69 CO -0.01 0.13 0.00 1.28 -2.65 0.00 0.00 178.83 177.58 1sf2 n LEU 70 N -4.07 0.00 -0.01 -2.39 4.77 -0.74 -1.07 117.00 113.50 1sf2 n LEU 70 Ca -0.02 0.49 0.11 0.00 -0.03 0.00 0.00 56.01 56.56 1sf2 n LEU 70 Cb 0.21 -0.49 0.12 0.00 -2.33 0.00 0.00 43.42 40.94 1sf2 n LEU 70 CO 0.33 -0.30 0.28 0.29 -1.33 0.00 0.00 177.39 176.66 1sf2 n LYS 71 N -1.49 0.04 -0.05 3.23 4.76 -0.81 -4.61 118.16 119.23 1sf2 n LYS 71 Ca 0.03 -0.03 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 1sf2 n LYS 71 Cb 0.13 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.80 1sf2 n LYS 71 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1sf2 n LYS 72 N -1.46 0.30 -3.60 1.97 5.02 -0.23 -5.12 118.16 115.04 1sf2 n LYS 72 Ca 0.05 0.12 -0.06 0.00 -2.02 0.00 0.00 58.31 56.40 1sf2 n LYS 72 Cb 0.34 -1.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.31 1sf2 n LYS 72 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1sf2 s LEU 73 N -6.87 -0.20 -0.02 -0.35 0.05 -0.97 -5.07 118.68 105.26 1sf2 s LEU 73 Ca -0.16 0.16 0.06 0.00 0.05 0.00 0.00 54.13 54.24 1sf2 s LEU 73 Cb 0.02 1.49 -0.09 0.00 -2.05 0.00 0.00 46.19 45.56 1sf2 s LEU 73 CO 0.24 -0.23 0.12 -1.54 -0.55 0.00 0.00 176.35 174.40 1sf2 n SER 74 N 0.41 3.59 -3.62 1.48 3.41 -1.26 -4.65 113.62 112.97 1sf2 n SER 74 Ca -0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.44 1sf2 n SER 74 Cb 0.59 1.19 -0.07 0.00 -0.26 0.00 0.00 64.21 65.66 1sf2 n SER 74 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1sf2 s HIS 75 N -2.39 -0.65 0.00 7.33 2.46 -1.26 -3.86 115.29 116.92 1sf2 s HIS 75 Ca -0.02 1.54 0.00 0.00 0.47 0.00 0.00 55.06 57.05 1sf2 s HIS 75 Cb 0.04 0.32 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 1sf2 s HIS 75 CO 0.25 -0.35 0.00 0.25 -2.47 0.00 0.00 174.74 172.43 1sf2 n THR 76 N 2.28 0.00 -1.60 0.89 -2.24 -1.26 -5.09 114.28 107.26 1sf2 n THR 76 Ca -0.14 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.64 1sf2 n THR 76 Cb 0.56 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.78 1sf2 n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sf2 h PHE 78 N 0.51 0.26 0.00 0.00 3.57 -1.81 0.12 116.94 119.59 1sf2 h PHE 78 Ca -0.07 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1sf2 h PHE 78 Cb 0.15 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1sf2 h PHE 78 CO 0.00 -0.29 0.00 0.00 -2.23 0.00 0.00 178.31 175.79 1sf2 n GLN 79 N -5.30 0.03 -0.08 1.11 10.64 -1.26 -2.68 117.38 119.83 1sf2 n GLN 79 Ca 0.23 0.31 -0.13 0.00 -1.83 0.00 0.00 57.00 55.58 1sf2 n GLN 79 Cb 0.73 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.57 1sf2 n GLN 79 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1sf2 n VAL 80 N -1.45 1.39 -3.81 -0.39 0.31 0.35 -4.93 118.33 109.80 1sf2 n VAL 80 Ca 0.03 0.02 -0.28 0.00 -0.01 0.00 0.00 64.34 64.09 1sf2 n VAL 80 Cb 0.10 -2.08 -0.16 0.00 -0.91 0.00 0.00 33.84 30.78 1sf2 n VAL 80 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1sf2 s LEU 81 N -7.58 1.65 1.01 7.52 1.02 -0.80 -5.10 118.68 116.40 1sf2 s LEU 81 Ca -0.27 -0.93 -0.12 0.00 0.02 0.00 0.00 54.13 52.83 1sf2 s LEU 81 Cb 0.06 -0.80 0.19 0.00 0.02 0.00 0.00 46.19 45.67 1sf2 s LEU 81 CO 0.37 -0.28 1.09 0.00 0.02 0.00 0.00 176.35 177.55 1sf2 s ALA 82 N 1.70 0.89 -0.04 4.21 0.00 -1.09 -4.02 121.76 123.41 1sf2 s ALA 82 Ca -0.02 -0.36 -0.18 0.00 0.00 0.00 0.00 51.96 51.39 1sf2 s ALA 82 Cb -0.18 -3.12 0.04 0.00 0.00 0.00 0.00 23.12 19.86 1sf2 s ALA 82 CO -0.07 -2.89 0.40 1.52 0.00 0.00 0.00 175.76 174.72 1sf2 s TYR 83 N -2.95 -0.32 0.34 0.00 -0.85 -1.26 -5.00 117.35 107.31 1sf2 s TYR 83 Ca 0.65 0.56 0.02 0.00 -0.52 0.00 0.00 57.07 57.79 1sf2 s TYR 83 Cb -0.19 0.17 0.61 0.00 0.38 0.00 0.00 41.96 42.93 1sf2 s TYR 83 CO 0.58 -0.41 1.96 1.49 -1.52 0.00 0.00 175.55 177.65 1sf2 h GLU 84 N 3.92 0.77 -0.89 -3.49 4.81 -2.00 -3.10 114.58 114.60 1sf2 h GLU 84 Ca -0.29 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 58.91 1sf2 h GLU 84 Cb 1.17 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.34 1sf2 h GLU 84 CO 0.37 0.57 0.58 -1.35 -0.73 0.00 0.00 179.01 178.46 1sf2 h PRO 85 N 0.78 1.04 0.50 0.92 0.11 -1.97 0.82 132.00 134.20 1sf2 h PRO 85 Ca 0.20 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 1sf2 h PRO 85 Cb 0.03 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 30.91 1sf2 h PRO 85 CO -0.03 0.69 -0.25 -0.92 -0.21 0.00 0.00 178.00 177.28 1sf2 h TYR 86 N 1.07 -0.65 -0.31 0.65 -0.00 -1.85 -2.04 116.97 113.86 1sf2 h TYR 86 Ca 0.37 -0.01 0.06 0.00 -0.00 0.00 0.00 58.73 59.15 1sf2 h TYR 86 Cb 0.10 0.22 -0.06 0.00 -0.00 0.00 0.00 36.73 36.98 1sf2 h TYR 86 CO -0.00 -0.40 -0.09 1.25 -0.00 0.00 0.00 178.16 178.92 1sf2 h LEU 87 N -0.69 -0.33 -0.52 2.82 5.85 -1.45 -2.15 115.31 118.85 1sf2 h LEU 87 Ca -0.07 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1sf2 h LEU 87 Cb 0.53 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1sf2 h LEU 87 CO 0.11 -0.12 0.29 -0.08 -0.34 0.00 0.00 178.44 178.30 1sf2 h GLU 88 N -0.02 0.56 -0.87 1.25 4.81 -0.78 -1.52 114.58 118.01 1sf2 h GLU 88 Ca 0.15 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1sf2 h GLU 88 Cb 0.25 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1sf2 h GLU 88 CO -0.33 0.37 0.46 1.25 -0.73 0.00 0.00 179.01 180.03 1sf2 h LEU 89 N 0.58 1.11 -0.58 1.64 5.85 -1.02 -1.11 115.31 121.78 1sf2 h LEU 89 Ca 0.22 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1sf2 h LEU 89 Cb 0.06 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1sf2 h LEU 89 CO -0.12 0.91 0.29 0.00 -0.34 0.00 0.00 178.44 179.18 1sf2 h GLU 91 N 0.79 0.30 -0.51 0.00 5.08 -0.73 -1.13 114.58 118.38 1sf2 h GLU 91 Ca 0.20 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1sf2 h GLU 91 Cb 0.11 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1sf2 h GLU 91 CO -0.03 0.25 0.24 0.82 -1.00 0.00 0.00 179.01 179.29 1sf2 h ILE 92 N 0.26 1.20 -0.22 3.13 2.04 -0.93 -2.62 117.51 120.37 1sf2 h ILE 92 Ca 0.08 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 1sf2 h ILE 92 Cb 0.04 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1sf2 h ILE 92 CO -0.01 0.22 -0.08 0.24 0.00 0.00 0.00 178.15 178.52 1sf2 h MET 93 N 0.68 0.34 -0.27 2.37 2.86 -0.38 -0.28 114.93 120.25 1sf2 h MET 93 Ca 0.17 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1sf2 h MET 93 Cb 0.13 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1sf2 h MET 93 CO -0.02 0.43 0.15 -0.91 1.06 0.00 0.00 176.91 177.62 1sf2 h ASN 94 N 0.32 0.32 0.01 1.22 -0.26 -0.83 -1.01 115.58 115.36 1sf2 h ASN 94 Ca 0.07 -0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.73 1sf2 h ASN 94 Cb 0.34 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.52 1sf2 h ASN 94 CO 0.02 0.26 -0.33 1.56 -1.06 0.00 0.00 177.43 177.88 1sf2 h GLN 95 N 0.37 0.02 -0.79 0.81 1.08 -1.29 -3.39 115.11 111.92 1sf2 h GLN 95 Ca 0.10 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.21 1sf2 h GLN 95 Cb 0.01 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 1sf2 h GLN 95 CO -0.02 1.02 0.31 0.87 -0.95 0.00 0.00 178.83 180.05 1sf2 h LYS 96 N -0.95 1.20 -6.67 1.46 1.79 -0.91 -3.43 116.57 109.04 1sf2 h LYS 96 Ca -0.08 -0.22 -0.53 0.00 -2.18 0.00 0.00 60.65 57.63 1sf2 h LYS 96 Cb 1.11 -0.19 0.04 0.00 -1.58 0.00 0.00 32.23 31.61 1sf2 h LYS 96 CO -0.03 0.98 0.76 0.08 -1.08 0.00 0.00 179.45 180.15 1sf2 s VAL 97 N -5.53 2.86 0.56 0.50 1.01 -0.40 -4.89 120.40 114.52 1sf2 s VAL 97 Ca -0.12 0.68 -0.20 0.00 0.00 0.00 0.00 61.98 62.33 1sf2 s VAL 97 Cb 0.16 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 1sf2 s VAL 97 CO 0.84 0.09 1.11 -0.81 0.00 0.00 0.00 175.10 176.33 1sf2 n PRO 98 N 3.00 1.24 0.00 2.72 -0.04 -1.26 -4.90 135.00 135.75 1sf2 n PRO 98 Ca 0.09 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1sf2 n PRO 98 Cb 0.41 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1sf2 n PRO 98 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sf2 n GLY 99 N 1.08 3.11 2.83 0.55 0.00 -1.26 -4.62 105.19 106.88 1sf2 n GLY 99 Ca 0.12 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1sf2 n GLY 99 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sf2 n ASP 100 N 0.00 5.07 -3.71 1.61 2.03 -1.26 -4.83 116.55 115.46 1sf2 n ASP 100 Ca 0.00 -3.08 -0.06 0.00 0.52 0.00 0.00 54.79 52.17 1sf2 n ASP 100 Cb 0.00 -1.49 -0.02 0.00 -0.72 0.00 0.00 41.12 38.89 1sf2 n ASP 100 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1sf2 s PHE 101 N 0.64 -0.22 0.44 -0.67 -0.12 -1.26 -5.15 117.98 111.64 1sf2 s PHE 101 Ca 0.41 -0.09 -0.25 0.00 -0.05 0.00 0.00 56.93 56.95 1sf2 s PHE 101 Cb 0.11 0.63 -0.08 0.00 -0.63 0.00 0.00 43.02 43.04 1sf2 s PHE 101 CO -0.01 -0.88 1.38 0.00 -0.05 0.00 0.00 175.22 175.67 1sf2 s ALA 102 N -3.45 3.24 0.07 1.99 0.00 -1.26 -4.94 121.76 117.42 1sf2 s ALA 102 Ca 0.10 1.38 -0.01 0.00 0.00 0.00 0.00 51.96 53.43 1sf2 s ALA 102 Cb -0.02 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1sf2 s ALA 102 CO 0.00 -1.07 0.00 0.15 0.00 0.00 0.00 175.76 174.85 1sf2 s LYS 103 N -2.38 0.70 0.06 0.00 1.02 -1.26 -1.71 119.74 116.17 1sf2 s LYS 103 Ca 0.60 -1.26 0.02 0.00 0.02 0.00 0.00 55.97 55.34 1sf2 s LYS 103 Cb -0.42 0.23 -0.03 0.00 -0.52 0.00 0.00 37.83 37.09 1sf2 s LYS 103 CO 0.54 -0.16 -0.07 0.15 -0.92 0.00 0.00 175.35 174.89 1sf2 s LYS 104 N -3.95 0.64 -0.00 1.68 1.02 -0.63 -4.71 119.74 113.78 1sf2 s LYS 104 Ca 0.11 -0.97 0.05 0.00 0.02 0.00 0.00 55.97 55.19 1sf2 s LYS 104 Cb 0.08 -0.26 -0.01 0.00 -0.52 0.00 0.00 37.83 37.12 1sf2 s LYS 104 CO -0.07 0.02 -0.16 0.99 -0.92 0.00 0.00 175.35 175.21 1sf2 s THR 105 N -2.20 1.27 0.00 2.17 2.01 -1.26 -1.86 115.64 115.78 1sf2 s THR 105 Ca -0.02 -0.77 0.08 0.00 0.31 0.00 0.00 61.69 61.29 1sf2 s THR 105 Cb -0.04 -1.07 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 1sf2 s THR 105 CO -0.02 0.30 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.75 1sf2 s LEU 106 N -0.54 2.23 -0.07 4.42 2.96 -0.20 -4.94 118.68 122.55 1sf2 s LEU 106 Ca 0.06 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1sf2 s LEU 106 Cb -0.07 -1.37 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 1sf2 s LEU 106 CO -0.00 0.30 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.45 1sf2 s LEU 107 N -0.91 2.85 0.00 -0.68 1.43 -1.26 -0.63 118.68 119.49 1sf2 s LEU 107 Ca 0.11 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1sf2 s LEU 107 Cb -0.10 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1sf2 s LEU 107 CO 0.01 0.33 0.00 1.33 0.23 0.00 0.00 176.35 178.24 1sf2 n VAL 108 N 2.46 0.00 0.00 -1.59 0.24 0.16 -4.13 118.33 115.47 1sf2 n VAL 108 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1sf2 n VAL 108 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1sf2 n VAL 108 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1sf2 n THR 109 N 0.00 0.00 -4.47 3.34 -1.04 -1.26 -1.73 114.28 109.12 1sf2 n THR 109 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1sf2 n THR 109 Cb 0.00 -0.73 -0.10 0.00 -1.82 0.00 0.00 70.33 67.68 1sf2 n THR 109 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1sf2 s THR 110 N -1.96 2.50 0.28 12.58 -4.23 -1.26 -2.09 115.64 121.46 1sf2 s THR 110 Ca 0.00 -2.34 -0.03 0.00 -1.18 0.00 0.00 61.69 58.14 1sf2 s THR 110 Cb 0.00 -2.39 0.27 0.00 1.34 0.00 0.00 72.50 71.71 1sf2 s THR 110 CO 0.00 -0.36 1.93 1.23 -0.54 0.00 0.00 174.62 176.87 1sf2 h GLY 111 N 2.20 1.36 0.96 3.99 0.00 -1.86 -0.52 103.07 109.19 1sf2 h GLY 111 Ca -0.41 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 46.46 1sf2 h GLY 111 CO 0.62 0.41 0.26 1.48 0.00 0.00 0.00 176.54 179.31 1sf2 h SER 112 N 1.20 0.44 -0.64 0.19 4.64 -1.97 0.24 113.55 117.66 1sf2 h SER 112 Ca 0.37 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.65 1sf2 h SER 112 Cb -0.01 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 1sf2 h SER 112 CO -0.11 0.32 0.25 -0.33 -0.87 0.00 0.00 176.83 176.09 1sf2 h GLU 113 N 0.54 0.99 -0.19 4.77 5.08 -1.75 -0.22 114.58 123.79 1sf2 h GLU 113 Ca 0.16 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1sf2 h GLU 113 Cb -0.03 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1sf2 h GLU 113 CO -0.05 0.81 0.11 0.00 -1.00 0.00 0.00 179.01 178.89 1sf2 h ALA 114 N 1.31 0.24 -0.54 3.43 0.00 -0.10 0.05 119.26 123.66 1sf2 h ALA 114 Ca 0.22 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1sf2 h ALA 114 Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1sf2 h ALA 114 CO -0.02 -0.25 0.04 0.28 0.00 0.00 0.00 179.25 179.31 1sf2 h VAL 115 N 0.23 1.25 0.01 0.00 2.07 -0.65 -1.18 116.25 117.97 1sf2 h VAL 115 Ca 0.07 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.62 1sf2 h VAL 115 Cb 0.03 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1sf2 h VAL 115 CO -0.01 0.36 -0.11 -0.33 0.02 0.00 0.00 177.57 177.50 1sf2 h GLU 116 N 0.83 -0.18 -0.55 1.57 4.39 -0.47 -2.51 114.58 117.66 1sf2 h GLU 116 Ca 0.16 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 1sf2 h GLU 116 Cb 0.43 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1sf2 h GLU 116 CO 0.02 -0.12 0.21 -0.91 -1.16 0.00 0.00 179.01 177.04 1sf2 h ASN 117 N -0.19 0.77 -0.99 1.42 2.35 -0.74 -1.54 115.58 116.66 1sf2 h ASN 117 Ca 0.04 -0.18 0.09 0.00 -0.55 0.00 0.00 56.30 55.70 1sf2 h ASN 117 Cb 0.23 -0.20 -0.08 0.00 0.05 0.00 0.00 38.32 38.33 1sf2 h ASN 117 CO -0.10 0.74 0.63 0.00 -1.65 0.00 0.00 177.43 177.04 1sf2 h ALA 118 N 1.06 1.42 -0.20 -0.83 0.00 -1.09 0.15 119.26 119.77 1sf2 h ALA 118 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1sf2 h ALA 118 Cb 0.22 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1sf2 h ALA 118 CO -0.01 0.32 -0.15 0.28 0.00 0.00 0.00 179.25 179.69 1sf2 h VAL 119 N 1.07 1.32 -0.67 0.00 2.07 -1.16 0.14 116.25 119.02 1sf2 h VAL 119 Ca 0.46 -1.28 0.07 0.00 0.82 0.00 0.00 66.70 66.77 1sf2 h VAL 119 Cb 0.32 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 1sf2 h VAL 119 CO -0.22 0.39 0.35 0.11 0.02 0.00 0.00 177.57 178.22 1sf2 h LYS 120 N 0.14 0.61 -0.37 1.57 1.57 -0.48 0.37 116.57 119.98 1sf2 h LYS 120 Ca 0.04 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1sf2 h LYS 120 Cb 0.68 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1sf2 h LYS 120 CO 0.04 0.41 0.11 0.82 -0.57 0.00 0.00 179.45 180.26 1sf2 h ILE 121 N 0.63 1.21 -0.83 1.86 2.04 -0.60 -0.55 117.51 121.28 1sf2 h ILE 121 Ca 0.31 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1sf2 h ILE 121 Cb 0.26 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1sf2 h ILE 121 CO -0.22 0.25 0.53 0.00 0.00 0.00 0.00 178.15 178.71 1sf2 h ALA 122 N 0.95 1.06 -0.31 1.87 0.00 0.18 -0.52 119.26 122.50 1sf2 h ALA 122 Ca 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1sf2 h ALA 122 Cb 0.27 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1sf2 h ALA 122 CO -0.00 0.49 0.10 0.00 0.00 0.00 0.00 179.25 179.84 1sf2 h ARG 123 N 1.13 0.47 -0.35 0.00 3.08 0.07 -1.87 114.38 116.93 1sf2 h ARG 123 Ca 0.30 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 1sf2 h ARG 123 Cb -0.09 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1sf2 h ARG 123 CO -0.06 0.51 -0.07 0.00 -1.07 0.00 0.00 179.97 179.28 1sf2 h ALA 124 N 0.94 1.23 -0.01 0.04 0.00 -0.75 0.18 119.26 120.88 1sf2 h ALA 124 Ca 0.10 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1sf2 h ALA 124 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1sf2 h ALA 124 CO -0.00 0.50 -0.72 0.00 0.00 0.00 0.00 179.25 179.03 1sf2 h ALA 125 N 1.39 0.79 0.00 0.00 0.00 -0.94 -3.32 119.26 117.18 1sf2 h ALA 125 Ca 0.10 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1sf2 h ALA 125 Cb 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1sf2 h ALA 125 CO 0.02 0.86 -1.49 0.25 0.00 0.00 0.00 179.25 178.89 1sf2 n THR 126 N -3.72 0.00 -3.11 0.00 -2.24 -0.72 -4.98 114.28 99.51 1sf2 n THR 126 Ca -0.02 -0.29 -0.17 0.00 -2.27 0.00 0.00 64.05 61.30 1sf2 n THR 126 Cb 0.70 0.42 0.05 0.00 -2.10 0.00 0.00 70.33 69.39 1sf2 n THR 126 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sf2 n LYS 127 N -1.89 -4.97 -4.24 -0.78 4.76 0.61 -5.02 118.16 106.63 1sf2 n LYS 127 Ca -0.01 0.64 -0.15 0.00 -2.87 0.00 0.00 58.31 55.92 1sf2 n LYS 127 Cb 0.42 -5.03 -0.10 0.00 -1.84 0.00 0.00 35.03 28.48 1sf2 n LYS 127 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1sf2 s ARG 128 N -5.73 1.04 -0.06 1.97 0.52 -1.17 -5.03 118.95 110.48 1sf2 s ARG 128 Ca 0.35 -1.38 0.09 0.00 -0.52 0.00 0.00 55.73 54.27 1sf2 s ARG 128 Cb -0.15 -0.69 -0.14 0.00 0.52 0.00 0.00 34.95 34.49 1sf2 s ARG 128 CO 0.43 0.10 0.11 0.43 0.02 0.00 0.00 175.30 176.39 1sf2 n SER 129 N 0.04 2.60 -4.88 0.23 7.64 -1.21 -4.49 113.62 113.53 1sf2 n SER 129 Ca -0.12 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.46 1sf2 n SER 129 Cb 0.59 1.02 0.02 0.00 -1.01 0.00 0.00 64.21 64.84 1sf2 n SER 129 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1sf2 s GLY 130 N -3.82 1.62 0.02 0.23 0.00 0.99 -4.80 107.32 101.56 1sf2 s GLY 130 Ca -0.04 -0.28 -0.05 0.00 0.00 0.00 0.00 44.72 44.34 1sf2 s GLY 130 CO 0.41 0.01 0.09 -0.51 0.00 0.00 0.00 173.10 173.10 1sf2 s THR 131 N -3.17 0.11 -0.12 0.90 -4.23 -1.09 -0.62 115.64 107.41 1sf2 s THR 131 Ca 0.55 -0.87 0.03 0.00 -1.18 0.00 0.00 61.69 60.21 1sf2 s THR 131 Cb -0.11 -0.55 0.00 0.00 1.34 0.00 0.00 72.50 73.18 1sf2 s THR 131 CO 0.51 -0.48 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.26 1sf2 s ILE 132 N -1.81 2.18 0.36 2.99 1.01 -0.44 -1.18 121.20 124.30 1sf2 s ILE 132 Ca -0.12 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.63 1sf2 s ILE 132 Cb -0.06 -1.86 -0.07 0.00 0.01 0.00 0.00 42.46 40.48 1sf2 s ILE 132 CO -0.01 0.55 0.02 0.00 0.00 0.00 0.00 174.94 175.50 1sf2 s ALA 133 N 0.54 2.73 0.33 9.38 0.00 -0.64 -0.75 121.76 133.34 1sf2 s ALA 133 Ca -0.13 -2.15 0.07 0.00 0.00 0.00 0.00 51.96 49.75 1sf2 s ALA 133 Cb -0.17 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 1sf2 s ALA 133 CO 0.04 -0.19 0.32 -0.06 0.00 0.00 0.00 175.76 175.87 1sf2 s PHE 134 N -2.99 2.96 0.37 0.00 0.40 -1.26 -0.89 117.98 116.57 1sf2 s PHE 134 Ca 0.35 -0.27 -0.27 0.00 -0.60 0.00 0.00 56.93 56.13 1sf2 s PHE 134 Cb 0.08 -1.80 -0.10 0.00 0.51 0.00 0.00 43.02 41.72 1sf2 s PHE 134 CO 0.16 0.18 1.33 -1.54 0.70 0.00 0.00 175.22 176.05 1sf2 s SER 135 N -4.01 6.51 0.00 1.36 1.04 0.49 -2.31 113.70 116.77 1sf2 s SER 135 Ca 0.41 2.72 0.00 0.00 0.48 0.00 0.00 55.95 59.56 1sf2 s SER 135 Cb -0.07 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1sf2 s SER 135 CO 0.27 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1sf2 n GLY 136 N 0.69 0.60 3.80 7.32 0.00 -1.02 -4.43 105.19 112.16 1sf2 n GLY 136 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1sf2 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sf2 s ALA 137 N -2.68 2.63 -0.06 4.61 0.00 -0.98 -3.35 121.76 121.93 1sf2 s ALA 137 Ca 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.30 1sf2 s ALA 137 Cb 0.00 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.91 1sf2 s ALA 137 CO 0.00 -1.07 0.01 -0.47 0.00 0.00 0.00 175.76 174.22 1sf2 s TYR 138 N -2.59 0.50 0.00 0.00 5.04 -1.26 -0.36 117.35 118.67 1sf2 s TYR 138 Ca 0.63 -0.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 1sf2 s TYR 138 Cb -0.17 -0.66 0.00 0.00 0.35 0.00 0.00 41.96 41.49 1sf2 s TYR 138 CO 0.43 -0.25 0.40 0.72 -1.34 0.00 0.00 175.55 175.51 1sf2 n HIS 139 N 4.88 0.00 0.00 4.97 8.25 -1.26 -4.97 115.22 127.09 1sf2 n HIS 139 Ca -0.12 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1sf2 n HIS 139 Cb 0.50 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1sf2 n HIS 139 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sf2 n GLY 140 N -0.08 2.53 1.00 -1.41 0.00 -1.26 -4.38 105.19 101.60 1sf2 n GLY 140 Ca 0.00 -1.98 0.08 0.00 0.00 0.00 0.00 46.02 44.12 1sf2 n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sf2 n ARG 141 N -1.50 3.19 -2.52 1.61 1.74 -1.26 -3.15 116.66 114.77 1sf2 n ARG 141 Ca 0.00 -2.73 -0.28 0.00 -0.77 0.00 0.00 57.85 54.07 1sf2 n ARG 141 Cb 0.00 -1.78 -0.00 0.00 -1.02 0.00 0.00 32.46 29.66 1sf2 n ARG 141 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1sf2 s THR 142 N -2.39 4.86 0.21 0.55 -4.23 -1.26 -4.80 115.64 108.59 1sf2 s THR 142 Ca 0.41 0.35 -0.17 0.00 -1.18 0.00 0.00 61.69 61.10 1sf2 s THR 142 Cb 0.31 -3.86 0.21 0.00 1.34 0.00 0.00 72.50 70.50 1sf2 s THR 142 CO 0.12 -0.88 1.58 0.45 -0.54 0.00 0.00 174.62 175.36 1sf2 h HIS 143 N 0.21 -0.80 -0.43 3.99 3.86 -1.99 0.18 115.15 120.16 1sf2 h HIS 143 Ca -0.46 0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 58.78 1sf2 h HIS 143 Cb 1.20 0.46 -0.02 0.00 1.06 0.00 0.00 27.41 30.12 1sf2 h HIS 143 CO 0.60 -0.37 0.08 -0.92 0.86 0.00 0.00 177.93 178.18 1sf2 h TYR 144 N -0.08 0.75 0.00 2.45 3.20 -1.96 -2.69 116.97 118.64 1sf2 h TYR 144 Ca 0.30 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1sf2 h TYR 144 Cb 0.57 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1sf2 h TYR 144 CO -0.68 0.71 0.00 1.79 -1.64 0.00 0.00 178.16 178.34 1sf2 h THR 145 N 0.57 0.00 -0.21 1.81 1.35 -1.60 -1.69 112.91 113.14 1sf2 h THR 145 Ca 0.13 -0.60 -0.16 0.00 -0.55 0.00 0.00 66.41 65.22 1sf2 h THR 145 Cb 0.36 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 1sf2 h THR 145 CO 0.01 0.00 -0.54 -0.07 -0.25 0.00 0.00 175.52 174.67 1sf2 h LEU 146 N 0.00 0.69 -0.47 3.87 3.38 -0.47 0.15 115.31 122.46 1sf2 h LEU 146 Ca 0.00 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.53 1sf2 h LEU 146 Cb 0.63 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1sf2 h LEU 146 CO 0.00 1.09 0.00 0.00 0.09 0.00 0.00 178.44 179.63 1sf2 h ALA 147 N 0.92 0.63 -0.63 1.53 0.00 -1.06 -2.69 119.26 117.96 1sf2 h ALA 147 Ca 0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1sf2 h ALA 147 Cb 1.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1sf2 h ALA 147 CO 0.11 0.43 0.14 -0.07 0.00 0.00 0.00 179.25 179.86 1sf2 h LEU 148 N 0.68 0.94 -9.40 0.00 3.38 -1.16 -3.42 115.31 106.33 1sf2 h LEU 148 Ca 0.13 -0.19 -0.53 0.00 0.09 0.00 0.00 57.88 57.38 1sf2 h LEU 148 Cb 0.50 -0.25 0.03 0.00 0.09 0.00 0.00 40.66 41.03 1sf2 h LEU 148 CO 0.02 0.91 1.20 0.41 0.09 0.00 0.00 178.44 181.07 1sf2 n THR 149 N -4.24 0.65 -1.73 0.22 -1.04 0.51 -4.62 114.28 104.03 1sf2 n THR 149 Ca 0.05 -0.12 -0.40 0.00 -2.04 0.00 0.00 64.05 61.54 1sf2 n THR 149 Cb 0.25 -2.25 -0.01 0.00 -1.82 0.00 0.00 70.33 66.50 1sf2 n THR 149 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sf2 n GLY 150 N 4.46 4.66 3.26 3.41 0.00 0.51 -4.70 105.19 116.79 1sf2 n GLY 150 Ca 0.20 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.48 1sf2 n GLY 150 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sf2 s LYS 151 N 1.01 0.23 -0.06 1.61 2.20 -1.26 -2.43 119.74 121.04 1sf2 s LYS 151 Ca 0.57 0.50 -0.16 0.00 -0.36 0.00 0.00 55.97 56.52 1sf2 s LYS 151 Cb 0.16 0.29 -0.30 0.00 -1.51 0.00 0.00 37.83 36.47 1sf2 s LYS 151 CO -0.07 -0.15 0.72 0.28 -0.36 0.00 0.00 175.35 175.78 1sf2 h VAL 152 N 5.39 1.14 -3.25 4.02 2.07 -1.92 -3.42 116.25 120.28 1sf2 h VAL 152 Ca -0.15 -2.50 -0.62 0.00 0.82 0.00 0.00 66.70 64.25 1sf2 h VAL 152 Cb 1.14 2.88 -0.15 0.00 -1.52 0.00 0.00 31.29 33.64 1sf2 h VAL 152 CO 0.02 0.76 -0.55 0.21 0.02 0.00 0.00 177.57 178.03 1sf2 s ASN 153 N -7.18 5.72 0.17 0.57 2.47 -1.26 -0.54 114.94 114.90 1sf2 s ASN 153 Ca -0.16 0.12 0.23 0.00 0.42 0.00 0.00 52.86 53.47 1sf2 s ASN 153 Cb 0.04 -1.97 -0.02 0.00 -1.45 0.00 0.00 41.25 37.86 1sf2 s ASN 153 CO 0.83 0.20 1.00 -0.81 -3.72 0.00 0.00 177.10 174.60 1sf2 n PRO 154 N 3.39 0.59 -0.07 0.43 -0.04 -1.26 -4.95 135.00 133.09 1sf2 n PRO 154 Ca -0.17 0.09 0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1sf2 n PRO 154 Cb 0.52 -1.79 0.08 0.00 -0.04 0.00 0.00 33.50 32.28 1sf2 n PRO 154 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1sf2 n TYR 155 N -2.59 0.17 -2.83 0.54 0.53 -1.20 -0.86 117.16 110.91 1sf2 n TYR 155 Ca -0.00 0.25 -0.00 0.00 -1.02 0.00 0.00 57.90 57.13 1sf2 n TYR 155 Cb 0.54 -0.68 0.05 0.00 -1.03 0.00 0.00 39.34 38.23 1sf2 n TYR 155 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 1sf2 n SER 156 N -3.88 1.44 -4.80 7.72 3.41 0.30 -5.05 113.62 112.75 1sf2 n SER 156 Ca 0.06 -2.04 -0.37 0.00 -0.26 0.00 0.00 58.87 56.26 1sf2 n SER 156 Cb 0.19 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.65 1sf2 n SER 156 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sf2 s ALA 157 N -3.63 3.37 0.00 7.33 0.00 -0.04 -3.85 121.76 124.94 1sf2 s ALA 157 Ca 0.26 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1sf2 s ALA 157 Cb 0.33 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1sf2 s ALA 157 CO -0.04 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.41 1sf2 n GLY 158 N 0.81 2.48 0.09 0.00 0.00 -1.26 -4.84 105.19 102.48 1sf2 n GLY 158 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1sf2 n GLY 158 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sf2 n MET 159 N -1.97 0.40 0.00 1.61 2.00 -1.25 -5.06 117.12 112.84 1sf2 n MET 159 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 57.70 57.52 1sf2 n MET 159 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.72 1sf2 n MET 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1sf2 n GLY 160 N 1.40 -3.07 3.75 3.03 0.00 -1.26 -4.94 105.19 104.10 1sf2 n GLY 160 Ca 0.10 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 1sf2 n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sf2 s LEU 161 N 0.00 4.52 0.66 0.99 1.43 -1.26 -4.95 118.68 120.07 1sf2 s LEU 161 Ca 0.00 2.29 -0.08 0.00 -1.03 0.00 0.00 54.13 55.32 1sf2 s LEU 161 Cb 0.00 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.62 1sf2 s LEU 161 CO 0.00 -0.22 0.99 -0.04 0.23 0.00 0.00 176.35 177.30 1sf2 s MET 162 N -1.20 2.67 0.04 1.70 -1.94 -1.26 -4.97 119.30 114.33 1sf2 s MET 162 Ca 0.47 0.04 -0.37 0.00 -1.71 0.00 0.00 55.69 54.12 1sf2 s MET 162 Cb -0.33 -2.17 -0.19 0.00 2.01 0.00 0.00 34.83 34.15 1sf2 s MET 162 CO 0.41 -0.96 0.94 -2.30 -0.01 0.00 0.00 175.02 173.10 1sf2 n PRO 163 N -2.80 0.00 -0.03 2.03 -0.02 -1.26 -4.97 135.00 127.94 1sf2 n PRO 163 Ca 0.06 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.54 1sf2 n PRO 163 Cb 0.58 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 1sf2 n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sf2 n GLY 164 N 1.55 -1.28 2.95 -1.23 0.00 -1.26 -4.55 105.19 101.37 1sf2 n GLY 164 Ca 0.19 -1.65 -0.18 0.00 0.00 0.00 0.00 46.02 44.38 1sf2 n GLY 164 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sf2 n HIS 165 N -2.09 -1.93 -3.76 1.61 8.25 -1.26 -5.00 115.22 111.04 1sf2 n HIS 165 Ca 0.00 0.62 -0.24 0.00 -0.26 0.00 0.00 57.72 57.85 1sf2 n HIS 165 Cb 0.01 -3.94 -0.17 0.00 1.12 0.00 0.00 29.99 27.00 1sf2 n HIS 165 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sf2 s VAL 166 N -3.16 0.39 0.14 1.59 1.01 -1.26 -2.68 120.40 116.44 1sf2 s VAL 166 Ca 0.36 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.36 1sf2 s VAL 166 Cb -0.16 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1sf2 s VAL 166 CO 0.45 0.15 0.10 -0.31 0.00 0.00 0.00 175.10 175.48 1sf2 s TYR 167 N 1.95 3.12 -0.21 5.22 1.51 -0.33 -4.98 117.35 123.63 1sf2 s TYR 167 Ca 0.04 -0.01 -0.07 0.00 -1.01 0.00 0.00 57.07 56.02 1sf2 s TYR 167 Cb -0.13 -1.52 -0.03 0.00 -0.11 0.00 0.00 41.96 40.16 1sf2 s TYR 167 CO -0.06 0.52 0.06 0.50 -1.11 0.00 0.00 175.55 175.45 1sf2 s ARG 168 N -2.87 3.80 0.31 -0.62 6.06 -1.26 -1.63 118.95 122.74 1sf2 s ARG 168 Ca 0.30 -0.42 0.09 0.00 -2.50 0.00 0.00 55.73 53.19 1sf2 s ARG 168 Cb -0.11 -3.23 -0.04 0.00 0.06 0.00 0.00 34.95 31.63 1sf2 s ARG 168 CO 0.22 0.06 0.07 0.00 -2.50 0.00 0.00 175.30 173.15 1sf2 s ALA 169 N 0.94 3.34 -0.13 6.12 0.00 -0.07 -4.93 121.76 127.02 1sf2 s ALA 169 Ca 0.03 -1.77 -0.19 0.00 0.00 0.00 0.00 51.96 50.04 1sf2 s ALA 169 Cb -0.14 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1sf2 s ALA 169 CO 0.03 0.13 0.51 -0.51 0.00 0.00 0.00 175.76 175.91 1sf2 s LEU 170 N -3.77 4.25 0.07 0.00 1.43 -1.26 -0.38 118.68 119.02 1sf2 s LEU 170 Ca 0.35 0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 53.96 1sf2 s LEU 170 Cb -0.04 -2.73 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 1sf2 s LEU 170 CO 0.21 -0.05 1.02 -0.47 0.23 0.00 0.00 176.35 177.29 1sf2 s TYR 171 N 0.87 3.68 0.19 0.29 5.04 -1.26 -4.38 117.35 121.78 1sf2 s TYR 171 Ca 0.26 1.67 -0.32 0.00 -2.44 0.00 0.00 57.07 56.24 1sf2 s TYR 171 Cb -0.15 -3.15 -0.12 0.00 0.35 0.00 0.00 41.96 38.88 1sf2 s TYR 171 CO 0.11 -0.17 1.70 -0.35 -1.34 0.00 0.00 175.55 175.50 1sf2 n PRO 172 N 3.31 2.65 -2.91 4.97 -0.04 -1.26 -4.93 135.00 136.78 1sf2 n PRO 172 Ca 0.05 0.95 -0.04 0.00 -0.04 0.00 0.00 63.50 64.42 1sf2 n PRO 172 Cb 0.49 -2.79 -0.00 0.00 -0.04 0.00 0.00 33.50 31.16 1sf2 n PRO 172 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sf2 h PRO 174 N 5.56 0.59 -0.25 0.00 0.11 -1.89 -0.02 132.00 136.10 1sf2 h PRO 174 Ca 0.07 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.21 1sf2 h PRO 174 Cb 1.12 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1sf2 h PRO 174 CO 0.05 0.39 0.34 1.25 -0.21 0.00 0.00 178.00 179.82 1sf2 h LEU 175 N 0.61 0.00 -3.04 2.35 5.85 -1.96 -0.26 115.31 118.85 1sf2 h LEU 175 Ca 0.38 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.08 1sf2 h LEU 175 Cb 0.63 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1sf2 h LEU 175 CO -0.15 0.00 -0.32 1.41 -0.34 0.00 0.00 178.44 179.04 1sf2 n HIS 176 N -3.56 0.14 -2.44 1.25 8.25 -0.06 -4.99 115.22 113.81 1sf2 n HIS 176 Ca 0.04 -1.37 -0.14 0.00 -0.26 0.00 0.00 57.72 55.98 1sf2 n HIS 176 Cb 0.48 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.34 1sf2 n HIS 176 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sf2 n GLY 177 N -1.18 -0.17 2.98 -1.41 0.00 -0.11 -5.00 105.19 100.31 1sf2 n GLY 177 Ca 0.20 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 1sf2 n GLY 177 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sf2 s ILE 178 N -2.79 2.04 0.82 -0.61 1.01 -0.95 -4.97 121.20 115.75 1sf2 s ILE 178 Ca 0.07 -2.09 -0.12 0.00 0.00 0.00 0.00 60.65 58.51 1sf2 s ILE 178 Cb -0.03 -2.46 0.09 0.00 0.01 0.00 0.00 42.46 40.06 1sf2 s ILE 178 CO 0.09 -0.53 1.13 -0.94 0.00 0.00 0.00 174.94 174.70 1sf2 s SER 179 N 1.04 4.32 0.43 3.58 1.04 -1.26 -0.57 113.70 122.27 1sf2 s SER 179 Ca 0.08 1.02 0.15 0.00 0.48 0.00 0.00 55.95 57.67 1sf2 s SER 179 Cb -0.19 -1.64 0.94 0.00 0.10 0.00 0.00 66.02 65.23 1sf2 s SER 179 CO -0.10 -2.05 1.94 -0.33 0.98 0.00 0.00 173.24 173.69 1sf2 h GLU 180 N -1.15 0.00 -0.49 4.02 5.08 -1.97 -1.13 114.58 118.94 1sf2 h GLU 180 Ca -0.48 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.82 1sf2 h GLU 180 Cb 1.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 1sf2 h GLU 180 CO 0.63 0.24 0.07 -0.44 -1.00 0.00 0.00 179.01 178.51 1sf2 h ASP 181 N 0.00 0.79 -0.37 1.42 3.45 -1.99 0.19 116.42 119.92 1sf2 h ASP 181 Ca -0.00 -0.26 -0.01 0.00 0.43 0.00 0.00 57.03 57.18 1sf2 h ASP 181 Cb 0.43 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 1sf2 h ASP 181 CO 0.03 0.86 0.18 0.44 -1.57 0.00 0.00 179.24 179.18 1sf2 h ASP 182 N 0.70 0.47 0.23 6.45 3.32 -1.67 0.33 116.42 126.25 1sf2 h ASP 182 Ca 0.15 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1sf2 h ASP 182 Cb 0.41 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1sf2 h ASP 182 CO 0.01 0.46 -0.11 0.00 -1.72 0.00 0.00 179.24 177.88 1sf2 h ALA 183 N 1.04 -0.31 -0.89 3.45 0.00 -0.97 0.37 119.26 121.94 1sf2 h ALA 183 Ca 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1sf2 h ALA 183 Cb 0.10 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1sf2 h ALA 183 CO -0.02 -0.67 0.49 0.82 0.00 0.00 0.00 179.25 179.88 1sf2 h ILE 184 N -0.33 1.26 -0.47 0.00 1.08 -0.87 -2.33 117.51 115.85 1sf2 h ILE 184 Ca -0.03 -0.62 -0.03 0.00 -0.39 0.00 0.00 64.86 63.79 1sf2 h ILE 184 Cb 0.25 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.03 1sf2 h ILE 184 CO 0.05 0.28 0.16 0.00 -0.69 0.00 0.00 178.15 177.96 1sf2 h ALA 185 N 1.27 1.41 0.00 1.87 0.00 0.22 -1.90 119.26 122.13 1sf2 h ALA 185 Ca 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1sf2 h ALA 185 Cb 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1sf2 h ALA 185 CO -0.05 0.44 -0.10 0.66 0.00 0.00 0.00 179.25 180.20 1sf2 h SER 186 N 0.67 0.00 0.03 0.00 4.64 0.28 -1.29 113.55 117.88 1sf2 h SER 186 Ca 0.16 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.22 1sf2 h SER 186 Cb 0.17 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1sf2 h SER 186 CO -0.01 0.10 -1.05 0.40 -0.87 0.00 0.00 176.83 175.40 1sf2 h ILE 187 N 0.00 1.29 -0.33 0.95 2.04 -1.17 -2.97 117.51 117.32 1sf2 h ILE 187 Ca -0.00 -2.28 -0.08 0.00 1.00 0.00 0.00 64.86 63.50 1sf2 h ILE 187 Cb 0.51 2.48 -0.02 0.00 -0.74 0.00 0.00 36.82 39.05 1sf2 h ILE 187 CO 0.01 0.70 -0.14 0.45 0.00 0.00 0.00 178.15 179.18 1sf2 h HIS 188 N 0.31 0.62 -0.91 1.37 3.86 -1.28 -2.32 115.15 116.81 1sf2 h HIS 188 Ca -0.14 -0.10 0.05 0.00 -1.16 0.00 0.00 60.37 59.01 1sf2 h HIS 188 Cb 1.71 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 29.96 1sf2 h HIS 188 CO 0.11 0.69 0.58 -0.09 0.86 0.00 0.00 177.93 180.08 1sf2 h ARG 189 N 0.52 1.07 -0.24 2.45 2.43 -1.22 0.04 114.38 119.44 1sf2 h ARG 189 Ca 0.09 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1sf2 h ARG 189 Cb 0.54 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1sf2 h ARG 189 CO 0.03 0.71 0.12 0.82 -1.51 0.00 0.00 179.97 180.14 1sf2 h ILE 190 N 1.10 1.13 -0.68 1.20 2.04 -1.28 0.24 117.51 121.26 1sf2 h ILE 190 Ca 0.38 -0.38 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1sf2 h ILE 190 Cb 0.08 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 1sf2 h ILE 190 CO -0.14 0.13 0.30 -0.26 0.00 0.00 0.00 178.15 178.18 1sf2 h PHE 191 N 0.26 0.52 0.01 1.37 0.05 -0.65 0.15 116.94 118.66 1sf2 h PHE 191 Ca 0.08 0.03 -0.24 0.00 3.82 0.00 0.00 57.97 61.66 1sf2 h PHE 191 Cb 0.10 -0.13 -0.03 0.00 2.00 0.00 0.00 35.95 37.89 1sf2 h PHE 191 CO -0.03 0.15 -1.21 -0.22 -0.18 0.00 0.00 178.31 176.82 1sf2 h LYS 192 N 0.50 0.03 0.02 1.51 3.64 -0.83 -3.33 116.57 118.11 1sf2 h LYS 192 Ca 0.35 -0.05 -0.37 0.00 -1.27 0.00 0.00 60.65 59.31 1sf2 h LYS 192 Cb 0.42 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.21 1sf2 h LYS 192 CO -0.31 0.90 -2.25 0.09 -2.27 0.00 0.00 179.45 175.61 1sf2 n ASN 193 N -3.29 1.30 0.00 4.20 4.13 0.82 -4.88 115.26 117.55 1sf2 n ASN 193 Ca -0.05 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.25 1sf2 n ASN 193 Cb 0.98 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 39.16 1sf2 n ASN 193 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1sf2 n ASP 194 N -3.13 2.55 -3.43 6.41 8.00 0.38 -5.06 116.55 122.26 1sf2 n ASP 194 Ca -0.36 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.13 1sf2 n ASP 194 Cb 1.06 0.39 -0.04 0.00 -0.02 0.00 0.00 41.12 42.50 1sf2 n ASP 194 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sf2 s ALA 195 N -1.25 -1.83 0.59 2.24 0.00 -0.36 -5.03 121.76 116.11 1sf2 s ALA 195 Ca 0.00 1.82 -0.19 0.00 0.00 0.00 0.00 51.96 53.60 1sf2 s ALA 195 Cb 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1sf2 s ALA 195 CO 0.00 -1.09 1.18 0.00 0.00 0.00 0.00 175.76 175.85 1sf2 s ALA 196 N 2.79 2.57 0.32 0.00 0.00 -1.25 -3.62 121.76 122.56 1sf2 s ALA 196 Ca 0.07 0.92 0.09 0.00 0.00 0.00 0.00 51.96 53.03 1sf2 s ALA 196 Cb -0.14 -3.41 0.91 0.00 0.00 0.00 0.00 23.12 20.48 1sf2 s ALA 196 CO -0.18 -1.07 1.67 -1.35 0.00 0.00 0.00 175.76 174.82 1sf2 h PRO 197 N 0.89 0.31 0.00 0.00 0.11 -1.95 0.35 132.00 131.71 1sf2 h PRO 197 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1sf2 h PRO 197 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1sf2 h PRO 197 CO 0.55 0.20 0.00 -0.85 -0.21 0.00 0.00 178.00 177.70 1sf2 n GLU 198 N -5.09 0.11 -0.02 1.05 0.00 -1.26 -1.30 120.64 114.12 1sf2 n GLU 198 Ca 0.27 0.20 0.05 0.00 0.00 0.00 0.00 57.16 57.68 1sf2 n GLU 198 Cb 0.83 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.82 1sf2 n GLU 198 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1sf2 n ASP 199 N -1.26 1.93 -4.38 -1.84 10.43 0.12 -4.81 116.55 116.74 1sf2 n ASP 199 Ca 0.04 -1.48 -0.41 0.00 2.57 0.00 0.00 54.79 55.51 1sf2 n ASP 199 Cb 0.05 -0.03 -0.11 0.00 1.84 0.00 0.00 41.12 42.87 1sf2 n ASP 199 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1sf2 s ILE 200 N -0.81 4.61 0.19 0.53 -1.09 -0.42 -0.01 121.20 124.21 1sf2 s ILE 200 Ca 0.12 -0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 57.67 1sf2 s ILE 200 Cb 0.08 -3.58 -0.06 0.00 -1.58 0.00 0.00 42.46 37.32 1sf2 s ILE 200 CO 0.12 -0.24 1.50 0.00 -1.23 0.00 0.00 174.94 175.09 1sf2 h ALA 201 N 8.45 0.70 -2.56 9.38 0.00 -1.11 -3.43 119.26 130.69 1sf2 h ALA 201 Ca -0.26 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.18 1sf2 h ALA 201 Cb 1.10 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.68 1sf2 h ALA 201 CO 0.67 0.70 0.39 0.00 0.00 0.00 0.00 179.25 181.01 1sf2 s ALA 202 N -3.89 -1.73 -0.23 0.00 0.00 -1.23 -1.36 121.76 113.32 1sf2 s ALA 202 Ca -0.07 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 1sf2 s ALA 202 Cb 0.11 0.60 0.02 0.00 0.00 0.00 0.00 23.12 23.85 1sf2 s ALA 202 CO 0.84 -0.73 -0.09 0.42 0.00 0.00 0.00 175.76 176.20 1sf2 s ILE 203 N -3.36 2.80 -0.21 0.00 1.01 -0.64 -1.33 121.20 119.46 1sf2 s ILE 203 Ca 0.04 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 1sf2 s ILE 203 Cb -0.01 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 1sf2 s ILE 203 CO -0.10 0.33 0.17 -0.69 0.00 0.00 0.00 174.94 174.65 1sf2 s VAL 204 N 1.35 5.37 -0.03 2.92 1.01 0.07 -1.17 120.40 129.92 1sf2 s VAL 204 Ca 0.03 0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 1sf2 s VAL 204 Cb -0.15 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1sf2 s VAL 204 CO -0.06 0.39 0.20 -0.51 0.00 0.00 0.00 175.10 175.12 1sf2 s ILE 205 N 0.67 0.05 -0.26 2.22 2.07 -0.39 -4.15 121.20 121.42 1sf2 s ILE 205 Ca 0.09 -0.45 -0.17 0.00 -1.41 0.00 0.00 60.65 58.71 1sf2 s ILE 205 Cb -0.12 -0.44 -0.03 0.00 0.13 0.00 0.00 42.46 41.99 1sf2 s ILE 205 CO 0.01 -0.25 0.48 -1.61 -1.91 0.00 0.00 174.94 171.67 1sf2 s GLU 206 N -0.95 4.07 0.39 3.50 2.02 -1.26 -0.65 118.70 125.81 1sf2 s GLU 206 Ca -0.10 0.27 0.15 0.00 0.02 0.00 0.00 54.97 55.31 1sf2 s GLU 206 Cb -0.05 -3.64 1.01 0.00 0.10 0.00 0.00 34.13 31.54 1sf2 s GLU 206 CO 0.02 -0.31 1.81 -1.35 0.02 0.00 0.00 175.26 175.45 1sf2 h PRO 207 N 7.99 0.47 -3.59 0.39 0.11 -1.95 -3.33 132.00 132.10 1sf2 h PRO 207 Ca -0.30 -0.03 -0.43 0.00 0.11 0.00 0.00 66.00 65.35 1sf2 h PRO 207 Cb 1.15 -0.11 -0.39 0.00 0.11 0.00 0.00 31.00 31.76 1sf2 h PRO 207 CO 0.70 0.31 -0.76 0.08 -0.21 0.00 0.00 178.00 178.12 1sf2 s VAL 208 N -5.54 0.28 0.21 3.15 1.01 -1.26 -1.20 120.40 117.04 1sf2 s VAL 208 Ca -0.09 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1sf2 s VAL 208 Cb 0.24 -0.51 -0.09 0.00 0.00 0.00 0.00 36.38 36.01 1sf2 s VAL 208 CO 0.79 0.18 1.43 -1.10 0.00 0.00 0.00 175.10 176.40 1sf2 s GLN 209 N 2.01 4.29 0.00 2.72 -0.21 0.45 -4.65 119.66 124.26 1sf2 s GLN 209 Ca 0.04 2.23 0.00 0.00 0.02 0.00 0.00 55.36 57.65 1sf2 s GLN 209 Cb -0.13 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.73 1sf2 s GLN 209 CO -0.05 -0.42 0.00 0.41 -2.12 0.00 0.00 175.29 173.11 1sf2 n GLY 210 N 2.68 0.77 0.27 3.09 0.00 -1.26 -0.41 105.19 110.33 1sf2 n GLY 210 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1sf2 n GLY 210 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sf2 h GLU 211 N 0.00 0.00 0.00 1.61 4.39 -1.93 -2.18 114.58 116.47 1sf2 h GLU 211 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sf2 h GLU 211 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1sf2 h GLU 211 CO 0.00 0.11 0.00 0.41 -1.16 0.00 0.00 179.01 178.37 1sf2 n GLY 212 N -0.64 -1.07 0.00 -3.84 0.00 -1.21 -0.39 105.19 98.04 1sf2 n GLY 212 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1sf2 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sf2 n GLY 213 N -0.45 0.76 3.53 -0.02 0.00 -0.83 -4.00 105.19 104.18 1sf2 n GLY 213 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1sf2 n GLY 213 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sf2 n PHE 214 N 0.00 -2.32 -3.74 1.61 3.01 0.46 -4.89 117.46 111.58 1sf2 n PHE 214 Ca 0.00 0.94 -0.35 0.00 1.01 0.00 0.00 57.45 59.05 1sf2 n PHE 214 Cb 0.00 -4.93 -0.08 0.00 -0.01 0.00 0.00 39.48 34.46 1sf2 n PHE 214 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1sf2 s TYR 215 N -3.39 3.41 0.01 1.38 1.51 -1.18 -4.79 117.35 114.30 1sf2 s TYR 215 Ca 0.17 0.33 -0.00 0.00 -1.01 0.00 0.00 57.07 56.56 1sf2 s TYR 215 Cb -0.08 -2.15 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 1sf2 s TYR 215 CO 0.75 0.30 0.12 0.00 -1.11 0.00 0.00 175.55 175.61 1sf2 s ALA 216 N 0.31 3.71 0.19 3.71 0.00 -1.26 -0.41 121.76 128.00 1sf2 s ALA 216 Ca 0.08 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 50.96 1sf2 s ALA 216 Cb -0.11 -1.65 -0.08 0.00 0.00 0.00 0.00 23.12 21.28 1sf2 s ALA 216 CO -0.02 0.73 0.73 0.45 0.00 0.00 0.00 175.76 177.65 1sf2 s SER 217 N -1.96 7.19 0.56 0.00 0.15 -0.34 -4.99 113.70 114.31 1sf2 s SER 217 Ca 0.26 1.50 -0.11 0.00 0.70 0.00 0.00 55.95 58.30 1sf2 s SER 217 Cb -0.12 -2.45 -0.05 0.00 -1.71 0.00 0.00 66.02 61.69 1sf2 s SER 217 CO 0.18 0.12 0.97 -0.94 1.20 0.00 0.00 173.24 174.76 1sf2 s SER 218 N -1.41 6.32 0.24 5.45 1.04 -1.26 -4.91 113.70 119.18 1sf2 s SER 218 Ca 0.39 1.35 -0.07 0.00 0.48 0.00 0.00 55.95 58.10 1sf2 s SER 218 Cb -0.19 -2.43 0.24 0.00 0.10 0.00 0.00 66.02 63.73 1sf2 s SER 218 CO 0.23 -0.74 1.91 -0.65 0.98 0.00 0.00 173.24 174.96 1sf2 h PRO 219 N 0.09 1.29 0.03 4.02 0.11 -1.84 -1.64 132.00 134.06 1sf2 h PRO 219 Ca -0.45 -0.10 0.02 0.00 0.11 0.00 0.00 66.00 65.58 1sf2 h PRO 219 Cb 1.19 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 1sf2 h PRO 219 CO 0.62 0.88 -0.12 0.00 -0.21 0.00 0.00 178.00 179.17 1sf2 h ALA 220 N 1.34 -0.15 0.18 -0.75 0.00 -1.93 0.04 119.26 117.98 1sf2 h ALA 220 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1sf2 h ALA 220 Cb -0.11 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1sf2 h ALA 220 CO -0.07 -0.62 -0.18 0.35 0.00 0.00 0.00 179.25 178.73 1sf2 h PHE 221 N -0.21 -0.47 -0.85 0.00 3.57 -1.86 -1.34 116.94 115.77 1sf2 h PHE 221 Ca 0.03 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.68 1sf2 h PHE 221 Cb 0.25 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 1sf2 h PHE 221 CO -0.16 -0.27 0.55 1.98 -2.23 0.00 0.00 178.31 178.18 1sf2 h MET 222 N -0.39 0.57 -0.44 1.11 4.05 -1.10 -0.38 114.93 118.35 1sf2 h MET 222 Ca 0.00 -0.03 -0.13 0.00 -0.28 0.00 0.00 59.70 59.26 1sf2 h MET 222 Cb 0.37 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 1sf2 h MET 222 CO -0.04 0.38 -0.23 1.96 0.23 0.00 0.00 176.91 179.21 1sf2 h GLN 223 N 0.59 0.90 -0.44 0.39 4.20 -0.29 -0.72 115.11 119.74 1sf2 h GLN 223 Ca 0.42 -0.38 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 1sf2 h GLN 223 Cb 0.78 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 1sf2 h GLN 223 CO -0.18 1.04 -0.06 0.00 -0.67 0.00 0.00 178.83 178.96 1sf2 h ARG 224 N 0.78 0.77 -0.58 1.46 3.08 -0.03 -1.92 114.38 117.94 1sf2 h ARG 224 Ca 0.10 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 1sf2 h ARG 224 Cb 0.78 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1sf2 h ARG 224 CO 0.06 0.81 -0.02 1.25 -1.07 0.00 0.00 179.97 181.01 1sf2 h LEU 225 N 0.70 1.01 -0.68 3.04 5.85 -0.94 -0.75 115.31 123.55 1sf2 h LEU 225 Ca 0.13 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1sf2 h LEU 225 Cb 0.52 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1sf2 h LEU 225 CO 0.03 1.07 0.19 -0.09 -0.34 0.00 0.00 178.44 179.30 1sf2 h ARG 226 N 0.94 1.06 -0.53 1.25 9.65 -0.85 -1.14 114.38 124.75 1sf2 h ARG 226 Ca 0.16 -0.24 -0.11 0.00 -1.10 0.00 0.00 59.98 58.69 1sf2 h ARG 226 Cb 0.56 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 1sf2 h ARG 226 CO 0.03 0.93 -0.10 0.00 2.80 0.00 0.00 179.97 183.63 1sf2 h ALA 227 N 1.08 0.73 -0.32 2.80 0.00 -1.08 -1.33 119.26 121.14 1sf2 h ALA 227 Ca 0.22 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1sf2 h ALA 227 Cb 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sf2 h ALA 227 CO -0.00 0.64 0.13 1.25 0.00 0.00 0.00 179.25 181.27 1sf2 h LEU 228 N 0.88 0.43 -0.81 0.00 6.46 -0.89 -0.71 115.31 120.66 1sf2 h LEU 228 Ca 0.14 -0.16 -0.07 0.00 -0.12 0.00 0.00 57.88 57.68 1sf2 h LEU 228 Cb 0.67 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 1sf2 h LEU 228 CO 0.05 0.47 0.14 0.00 -0.62 0.00 0.00 178.44 178.48 1sf2 h ASP 230 N 0.98 -0.07 -0.61 0.00 3.32 -0.98 0.23 116.42 119.29 1sf2 h ASP 230 Ca 0.20 -0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.32 1sf2 h ASP 230 Cb 0.37 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1sf2 h ASP 230 CO 0.00 -0.02 0.41 -0.08 -1.72 0.00 0.00 179.24 177.83 1sf2 h GLU 231 N -0.11 0.47 -0.35 3.56 4.81 -1.00 -2.76 114.58 119.20 1sf2 h GLU 231 Ca -0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1sf2 h GLU 231 Cb 0.09 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1sf2 h GLU 231 CO 0.01 0.31 0.00 0.72 -0.73 0.00 0.00 179.01 179.32 1sf2 n HIS 232 N -4.48 0.45 -2.18 0.92 8.25 -1.02 -4.97 115.22 112.20 1sf2 n HIS 232 Ca 0.10 -0.32 -0.16 0.00 -0.26 0.00 0.00 57.72 57.08 1sf2 n HIS 232 Cb 0.33 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.41 1sf2 n HIS 232 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sf2 n GLY 233 N 1.02 -0.02 3.84 -1.41 0.00 0.56 -4.80 105.19 104.38 1sf2 n GLY 233 Ca 0.15 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1sf2 n GLY 233 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sf2 s ILE 234 N -2.76 5.01 0.03 -0.61 1.01 0.23 -4.95 121.20 119.16 1sf2 s ILE 234 Ca 0.00 0.79 -0.27 0.00 0.00 0.00 0.00 60.65 61.16 1sf2 s ILE 234 Cb 0.00 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 1sf2 s ILE 234 CO 0.00 0.50 0.86 -0.04 0.00 0.00 0.00 174.94 176.26 1sf2 s MET 235 N -1.31 4.55 -0.39 2.79 -1.94 -0.46 -4.49 119.30 118.05 1sf2 s MET 235 Ca 0.27 1.22 -0.19 0.00 -1.71 0.00 0.00 55.69 55.28 1sf2 s MET 235 Cb -0.16 -3.41 0.01 0.00 2.01 0.00 0.00 34.83 33.28 1sf2 s MET 235 CO 0.15 0.14 0.55 -1.17 -0.01 0.00 0.00 175.02 174.68 1sf2 s LEU 236 N 0.39 4.49 -0.31 -0.03 2.96 -1.26 -1.62 118.68 123.30 1sf2 s LEU 236 Ca 0.44 -0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 54.00 1sf2 s LEU 236 Cb -0.21 -2.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.85 1sf2 s LEU 236 CO 0.25 -0.60 0.19 -0.63 -1.32 0.00 0.00 176.35 174.24 1sf2 s ILE 237 N 2.50 5.06 -0.35 6.68 1.01 -0.32 -1.12 121.20 134.66 1sf2 s ILE 237 Ca 0.19 -0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.55 1sf2 s ILE 237 Cb -0.15 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 1sf2 s ILE 237 CO 0.15 0.12 0.38 0.00 0.00 0.00 0.00 174.94 175.59 1sf2 s ALA 238 N 1.70 3.49 -0.62 9.38 0.00 -0.17 -1.26 121.76 134.27 1sf2 s ALA 238 Ca 0.06 -1.24 -0.23 0.00 0.00 0.00 0.00 51.96 50.55 1sf2 s ALA 238 Cb -0.17 -2.86 0.06 0.00 0.00 0.00 0.00 23.12 20.15 1sf2 s ALA 238 CO 0.09 -1.15 0.95 0.34 0.00 0.00 0.00 175.76 175.99 1sf2 s ASP 239 N 1.74 6.22 -0.29 0.00 -1.08 0.18 -1.88 116.67 121.57 1sf2 s ASP 239 Ca 0.12 -0.78 0.10 0.00 -0.52 0.00 0.00 52.55 51.48 1sf2 s ASP 239 Cb -0.17 -2.42 0.55 0.00 -1.46 0.00 0.00 42.92 39.42 1sf2 s ASP 239 CO 0.12 -1.37 1.53 -0.62 0.52 0.00 0.00 175.17 175.35 1sf2 n GLU 240 N 7.62 2.24 -0.21 4.34 1.02 -0.42 -4.26 120.64 130.97 1sf2 n GLU 240 Ca -0.02 -3.08 0.08 0.00 -0.02 0.00 0.00 57.16 54.11 1sf2 n GLU 240 Cb 0.46 -1.89 0.35 0.00 -0.02 0.00 0.00 31.44 30.34 1sf2 n GLU 240 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1sf2 h VAL 241 N 1.28 0.98 0.00 2.62 2.07 -1.84 0.13 116.25 121.48 1sf2 h VAL 241 Ca 0.22 -0.26 -0.24 0.00 0.82 0.00 0.00 66.70 67.24 1sf2 h VAL 241 Cb 1.80 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 1sf2 h VAL 241 CO 0.46 0.14 -1.91 1.67 0.02 0.00 0.00 177.57 177.94 1sf2 n GLN 242 N -4.49 1.07 0.23 1.57 7.27 -1.26 -4.11 117.38 117.66 1sf2 n GLN 242 Ca 0.12 0.05 0.12 0.00 0.07 0.00 0.00 57.00 57.37 1sf2 n GLN 242 Cb 0.28 -1.33 0.32 0.00 2.41 0.00 0.00 30.24 31.93 1sf2 n GLN 242 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1sf2 h SER 243 N 0.00 0.00 -1.49 1.69 4.64 -1.82 -3.45 113.55 113.12 1sf2 h SER 243 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1sf2 h SER 243 Cb 1.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 1sf2 h SER 243 CO -0.02 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1sf2 n GLY 244 N 0.73 -1.33 3.72 -0.77 0.00 0.44 -3.82 105.19 104.16 1sf2 n GLY 244 Ca 0.02 -1.61 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 1sf2 n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sf2 n ALA 245 N -3.00 -1.81 -0.85 4.61 0.00 -0.50 -2.99 120.51 115.98 1sf2 n ALA 245 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1sf2 n ALA 245 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 16.69 1sf2 n ALA 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sf2 n GLY 246 N -1.59 0.30 0.27 0.00 0.00 0.50 -4.88 105.19 99.79 1sf2 n GLY 246 Ca -0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.92 1sf2 n GLY 246 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1sf2 h ARG 247 N 0.80 0.00 -0.40 1.61 9.65 -1.63 -2.77 114.38 121.64 1sf2 h ARG 247 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1sf2 h ARG 247 Cb 0.30 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 1sf2 h ARG 247 CO 0.00 0.01 0.00 0.25 2.80 0.00 0.00 179.97 183.03 1sf2 n THR 248 N -4.27 0.52 0.00 0.20 -2.24 -1.25 -0.59 114.28 106.64 1sf2 n THR 248 Ca -0.03 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1sf2 n THR 248 Cb 0.10 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1sf2 n THR 248 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sf2 n GLY 249 N 1.44 1.73 3.21 3.38 0.00 -1.04 -1.90 105.19 112.01 1sf2 n GLY 249 Ca 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 1sf2 n GLY 249 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sf2 s THR 250 N -2.37 1.18 0.26 2.61 -4.23 -1.26 -4.72 115.64 107.11 1sf2 s THR 250 Ca 0.00 -1.65 -0.01 0.00 -1.18 0.00 0.00 61.69 58.85 1sf2 s THR 250 Cb 0.00 -1.43 0.25 0.00 1.34 0.00 0.00 72.50 72.66 1sf2 s THR 250 CO 0.00 -0.45 1.72 0.25 -0.54 0.00 0.00 174.62 175.60 1sf2 h LEU 251 N 3.60 0.31 -8.25 4.79 5.85 -1.95 -3.30 115.31 116.37 1sf2 h LEU 251 Ca -0.39 0.13 -0.54 0.00 0.84 0.00 0.00 57.88 57.92 1sf2 h LEU 251 Cb 1.19 0.10 -0.30 0.00 0.37 0.00 0.00 40.66 42.02 1sf2 h LEU 251 CO 0.50 0.07 -0.83 -0.36 -0.34 0.00 0.00 178.44 177.49 1sf2 s PHE 252 N -5.97 1.55 0.45 1.25 0.40 -1.26 -0.37 117.98 114.03 1sf2 s PHE 252 Ca -0.12 -0.36 0.11 0.00 -0.60 0.00 0.00 56.93 55.95 1sf2 s PHE 252 Cb 0.23 -1.02 1.00 0.00 0.51 0.00 0.00 43.02 43.73 1sf2 s PHE 252 CO 0.77 -0.08 2.08 0.00 0.70 0.00 0.00 175.22 178.69 1sf2 h ALA 253 N 5.97 1.83 -0.28 5.36 0.00 -1.77 -1.99 119.26 128.38 1sf2 h ALA 253 Ca -0.35 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.62 1sf2 h ALA 253 Cb 1.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1sf2 h ALA 253 CO 0.48 0.14 0.29 0.52 0.00 0.00 0.00 179.25 180.68 1sf2 h MET 254 N 0.37 0.00 0.00 0.00 2.86 -1.95 0.17 114.93 116.37 1sf2 h MET 254 Ca 0.12 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1sf2 h MET 254 Cb 0.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1sf2 h MET 254 CO -0.03 0.00 -0.05 0.93 1.06 0.00 0.00 176.91 178.82 1sf2 h GLU 255 N 0.00 0.00 -0.01 1.72 5.08 -1.66 -0.35 114.58 119.37 1sf2 h GLU 255 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1sf2 h GLU 255 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1sf2 h GLU 255 CO -0.00 0.05 -0.06 1.04 -1.00 0.00 0.00 179.01 179.04 1sf2 n GLN 256 N -4.01 1.41 0.05 2.33 6.02 0.05 -4.09 117.38 119.14 1sf2 n GLN 256 Ca -0.03 -0.79 0.11 0.00 -0.01 0.00 0.00 57.00 56.29 1sf2 n GLN 256 Cb 0.14 -1.48 0.01 0.00 1.02 0.00 0.00 30.24 29.92 1sf2 n GLN 256 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1sf2 n MET 257 N -0.10 0.45 -0.74 -1.09 2.81 -0.14 -4.70 117.12 113.60 1sf2 n MET 257 Ca 0.18 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 1sf2 n MET 257 Cb 0.34 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 1sf2 n MET 257 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sf2 n GLY 258 N 1.28 0.83 3.11 3.03 0.00 -1.24 -4.62 105.19 107.59 1sf2 n GLY 258 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1sf2 n GLY 258 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sf2 s VAL 259 N -3.25 0.11 -0.08 1.61 -7.23 -1.26 -5.04 120.40 105.26 1sf2 s VAL 259 Ca 0.00 -0.93 -0.02 0.00 -1.81 0.00 0.00 61.98 59.21 1sf2 s VAL 259 Cb 0.00 -0.71 -0.04 0.00 0.56 0.00 0.00 36.38 36.19 1sf2 s VAL 259 CO 0.00 -0.51 0.04 0.00 -0.31 0.00 0.00 175.10 174.32 1sf2 s ALA 260 N -2.15 3.45 0.83 1.32 0.00 -1.26 -4.77 121.76 119.18 1sf2 s ALA 260 Ca -0.09 -0.79 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 1sf2 s ALA 260 Cb -0.04 -1.58 0.11 0.00 0.00 0.00 0.00 23.12 21.61 1sf2 s ALA 260 CO -0.02 0.61 1.18 -1.25 0.00 0.00 0.00 175.76 176.28 1sf2 s PRO 261 N -1.08 1.61 -0.03 0.00 0.04 -1.26 -4.98 135.00 129.30 1sf2 s PRO 261 Ca 0.15 -0.17 0.09 0.00 0.04 0.00 0.00 61.00 61.11 1sf2 s PRO 261 Cb -0.12 -1.98 -0.23 0.00 0.04 0.00 0.00 34.50 32.21 1sf2 s PRO 261 CO 0.05 -1.76 0.71 -0.44 0.04 0.00 0.00 177.00 175.60 1sf2 h ASP 262 N -1.11 0.07 -4.88 6.66 3.32 -1.50 -3.45 116.42 115.53 1sf2 h ASP 262 Ca -0.45 -0.14 -0.22 0.00 0.02 0.00 0.00 57.03 56.25 1sf2 h ASP 262 Cb 1.30 -0.02 -0.21 0.00 0.22 0.00 0.00 39.33 40.61 1sf2 h ASP 262 CO 0.56 1.12 -0.72 -0.76 -1.72 0.00 0.00 179.24 177.72 1sf2 s LEU 263 N -6.31 2.25 -0.04 1.55 1.43 -1.02 -0.88 118.68 115.66 1sf2 s LEU 263 Ca -0.06 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1sf2 s LEU 263 Cb 0.08 -0.02 0.02 0.00 0.03 0.00 0.00 46.19 46.30 1sf2 s LEU 263 CO 0.82 -0.26 0.08 -0.89 0.23 0.00 0.00 176.35 176.33 1sf2 s THR 264 N -1.43 -0.04 -0.09 5.49 2.01 0.38 -1.00 115.64 120.96 1sf2 s THR 264 Ca -0.13 0.13 -0.03 0.00 0.31 0.00 0.00 61.69 61.98 1sf2 s THR 264 Cb -0.10 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 1sf2 s THR 264 CO -0.00 0.05 0.03 0.42 -0.69 0.00 0.00 174.62 174.43 1sf2 s THR 265 N 0.76 4.52 0.04 -0.82 -4.23 -0.79 -1.35 115.64 113.77 1sf2 s THR 265 Ca -0.06 -0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 60.27 1sf2 s THR 265 Cb -0.08 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 1sf2 s THR 265 CO -0.03 0.61 -0.02 0.72 -0.54 0.00 0.00 174.62 175.36 1sf2 s PHE 266 N -0.88 0.40 0.00 3.99 -0.12 -0.77 -1.31 117.98 119.30 1sf2 s PHE 266 Ca 0.13 -0.84 0.00 0.00 -0.05 0.00 0.00 56.93 56.17 1sf2 s PHE 266 Cb -0.11 -0.30 0.00 0.00 -0.63 0.00 0.00 43.02 41.97 1sf2 s PHE 266 CO 0.03 -0.31 0.00 0.00 -0.05 0.00 0.00 175.22 174.88 1sf2 n ALA 267 N 0.67 0.00 -0.13 1.99 0.00 -1.26 -1.47 120.51 120.32 1sf2 n ALA 267 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1sf2 n ALA 267 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1sf2 n ALA 267 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sf2 n LYS 268 N 0.00 0.00 0.20 0.00 5.02 -1.26 -1.29 118.16 120.83 1sf2 n LYS 268 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 1sf2 n LYS 268 Cb 0.00 0.00 0.71 0.00 -0.02 0.00 0.00 35.03 35.72 1sf2 n LYS 268 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1sf2 h SER 269 N 0.00 0.00 -0.94 4.39 0.02 -1.59 -3.19 113.55 112.24 1sf2 h SER 269 Ca 0.00 0.00 0.23 0.00 -0.84 0.00 0.00 61.79 61.18 1sf2 h SER 269 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 1sf2 h SER 269 CO 0.00 0.00 0.63 -0.29 -1.14 0.00 0.00 176.83 176.03 1sf2 h ILE 270 N 0.00 0.61 -0.02 3.27 6.09 -1.48 -1.86 117.51 124.12 1sf2 h ILE 270 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1sf2 h ILE 270 Cb 0.07 0.27 0.00 0.00 0.47 0.00 0.00 36.82 37.63 1sf2 h ILE 270 CO 0.00 0.06 0.00 0.00 -3.07 0.00 0.00 178.15 175.14 1sf2 n ALA 271 N -2.55 2.28 -4.40 0.18 0.00 -1.20 -4.32 120.51 110.49 1sf2 n ALA 271 Ca 0.21 -2.37 -0.37 0.00 0.00 0.00 0.00 53.44 50.90 1sf2 n ALA 271 Cb 0.81 -0.36 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 1sf2 n ALA 271 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sf2 n GLY 272 N -1.22 -0.29 0.00 0.00 0.00 -0.70 -3.07 105.19 99.91 1sf2 n GLY 272 Ca 0.14 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1sf2 n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sf2 n GLY 273 N -1.71 1.41 3.13 -0.02 0.00 -1.24 -4.70 105.19 102.07 1sf2 n GLY 273 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 1sf2 n GLY 273 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sf2 s PHE 274 N -2.00 1.14 -0.53 1.61 0.40 -1.17 -5.10 117.98 112.33 1sf2 s PHE 274 Ca 0.00 -0.36 -0.27 0.00 -0.60 0.00 0.00 56.93 55.71 1sf2 s PHE 274 Cb 0.00 -0.68 -0.04 0.00 0.51 0.00 0.00 43.02 42.81 1sf2 s PHE 274 CO 0.00 0.02 2.08 -2.14 0.70 0.00 0.00 175.22 175.88 1sf2 s PRO 275 N -1.16 2.50 -0.04 0.24 0.02 -1.26 -4.63 135.00 130.67 1sf2 s PRO 275 Ca 0.00 1.03 -0.27 0.00 0.02 0.00 0.00 61.00 61.79 1sf2 s PRO 275 Cb -0.08 -4.45 0.06 0.00 0.02 0.00 0.00 34.50 30.05 1sf2 s PRO 275 CO 0.01 -2.85 0.59 -1.17 -0.33 0.00 0.00 177.00 173.25 1sf2 s LEU 276 N 10.07 -0.30 0.30 -5.54 2.96 -0.89 -4.63 118.68 120.66 1sf2 s LEU 276 Ca 0.81 0.56 -0.19 0.00 -0.22 0.00 0.00 54.13 55.09 1sf2 s LEU 276 Cb -0.16 2.24 0.03 0.00 0.50 0.00 0.00 46.19 48.79 1sf2 s LEU 276 CO 0.24 -0.58 0.71 0.00 -1.32 0.00 0.00 176.35 175.41 1sf2 s ALA 277 N -1.26 -1.02 0.07 5.97 0.00 -1.18 -4.21 121.76 120.13 1sf2 s ALA 277 Ca -0.11 -0.46 -0.27 0.00 0.00 0.00 0.00 51.96 51.11 1sf2 s ALA 277 Cb -0.01 0.83 0.09 0.00 0.00 0.00 0.00 23.12 24.03 1sf2 s ALA 277 CO 0.08 -1.01 1.17 0.20 0.00 0.00 0.00 175.76 176.20 1sf2 s GLY 278 N -2.96 -0.17 -0.06 0.00 0.00 -0.54 -0.67 107.32 102.92 1sf2 s GLY 278 Ca 0.13 0.16 0.01 0.00 0.00 0.00 0.00 44.72 45.01 1sf2 s GLY 278 CO 0.08 2.12 -0.05 0.14 0.00 0.00 0.00 173.10 175.40 1sf2 s VAL 279 N -2.39 0.63 -0.09 1.40 1.01 0.20 -1.84 120.40 119.32 1sf2 s VAL 279 Ca 0.20 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1sf2 s VAL 279 Cb 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.73 1sf2 s VAL 279 CO 0.00 0.26 -0.18 -0.89 0.00 0.00 0.00 175.10 174.29 1sf2 s THR 280 N 1.15 1.66 0.35 3.92 2.01 -0.46 -1.03 115.64 123.24 1sf2 s THR 280 Ca -0.07 -0.77 -0.16 0.00 0.31 0.00 0.00 61.69 61.00 1sf2 s THR 280 Cb -0.14 -1.47 0.04 0.00 0.01 0.00 0.00 72.50 70.94 1sf2 s THR 280 CO -0.01 0.47 0.73 -0.83 -0.69 0.00 0.00 174.62 174.29 1sf2 s GLY 281 N 0.59 0.34 -0.17 4.40 0.00 -0.77 -0.47 107.32 111.23 1sf2 s GLY 281 Ca -0.15 -0.70 -0.40 0.00 0.00 0.00 0.00 44.72 43.48 1sf2 s GLY 281 CO 0.05 -0.32 1.57 -2.13 0.00 0.00 0.00 173.10 172.27 1sf2 n ARG 282 N -0.51 0.98 -0.27 2.90 0.63 -0.06 -1.61 116.66 118.73 1sf2 n ARG 282 Ca -0.06 0.36 0.07 0.00 -0.92 0.00 0.00 57.85 57.30 1sf2 n ARG 282 Cb 0.60 -2.00 0.19 0.00 0.45 0.00 0.00 32.46 31.70 1sf2 n ARG 282 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1sf2 h ALA 283 N 5.99 0.92 -0.18 5.13 0.00 -1.61 0.11 119.26 129.61 1sf2 h ALA 283 Ca -0.47 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1sf2 h ALA 283 Cb 1.33 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1sf2 h ALA 283 CO 0.89 -0.43 -0.03 0.93 0.00 0.00 0.00 179.25 180.62 1sf2 h GLU 284 N 0.14 0.27 -0.05 0.00 3.07 -1.87 -0.31 114.58 115.82 1sf2 h GLU 284 Ca 0.45 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.20 1sf2 h GLU 284 Cb 0.82 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 1sf2 h GLU 284 CO -0.65 0.32 -0.21 0.28 -1.40 0.00 0.00 179.01 177.34 1sf2 h VAL 285 N 0.26 1.45 -0.87 3.13 2.07 -1.37 -3.18 116.25 117.75 1sf2 h VAL 285 Ca 0.06 -1.66 0.06 0.00 0.82 0.00 0.00 66.70 65.98 1sf2 h VAL 285 Cb 0.23 2.39 -0.06 0.00 -1.52 0.00 0.00 31.29 32.32 1sf2 h VAL 285 CO 0.01 0.46 0.55 0.24 0.02 0.00 0.00 177.57 178.85 1sf2 h MET 286 N -0.31 0.98 0.00 1.57 2.86 -0.82 -2.10 114.93 117.12 1sf2 h MET 286 Ca -0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1sf2 h MET 286 Cb 0.86 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1sf2 h MET 286 CO 0.04 0.65 0.00 -0.25 1.06 0.00 0.00 176.91 178.42 1sf2 n ASP 287 N -4.59 0.00 0.26 1.22 10.43 -0.17 -3.66 116.55 120.03 1sf2 n ASP 287 Ca 0.12 0.44 0.08 0.00 2.57 0.00 0.00 54.79 58.00 1sf2 n ASP 287 Cb 0.16 -0.47 0.63 0.00 1.84 0.00 0.00 41.12 43.28 1sf2 n ASP 287 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1sf2 h ALA 288 N 2.62 1.98 -2.74 2.24 0.00 -1.35 -3.42 119.26 118.59 1sf2 h ALA 288 Ca 0.00 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 54.39 1sf2 h ALA 288 Cb 0.28 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.08 1sf2 h ALA 288 CO 0.00 0.02 0.50 0.08 0.00 0.00 0.00 179.25 179.85 1sf2 s VAL 289 N -5.05 3.56 0.64 0.00 1.01 -1.24 -4.78 120.40 114.54 1sf2 s VAL 289 Ca -0.05 1.45 -0.16 0.00 0.00 0.00 0.00 61.98 63.22 1sf2 s VAL 289 Cb 0.17 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1sf2 s VAL 289 CO 0.67 0.30 1.12 0.00 0.00 0.00 0.00 175.10 177.19 1sf2 s ALA 290 N -0.69 2.50 0.06 5.51 0.00 -1.26 -4.91 121.76 122.97 1sf2 s ALA 290 Ca 0.48 0.60 -0.35 0.00 0.00 0.00 0.00 51.96 52.69 1sf2 s ALA 290 Cb -0.32 -3.33 -0.14 0.00 0.00 0.00 0.00 23.12 19.34 1sf2 s ALA 290 CO 0.39 -1.20 1.65 -2.30 0.00 0.00 0.00 175.76 174.30 1sf2 n PRO 291 N -2.23 2.00 -0.11 0.00 -0.02 -1.26 -1.16 135.00 132.22 1sf2 n PRO 291 Ca 0.11 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1sf2 n PRO 291 Cb 0.52 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1sf2 n PRO 291 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sf2 n GLY 292 N 3.64 0.83 0.13 -1.23 0.00 -1.26 -4.93 105.19 102.37 1sf2 n GLY 292 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1sf2 n GLY 292 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sf2 h GLY 293 N 0.00 0.00 -5.14 -0.02 0.00 -1.49 -3.44 103.07 92.98 1sf2 h GLY 293 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 1sf2 h GLY 293 CO 0.00 0.00 -0.77 1.08 0.00 0.00 0.00 176.54 176.85 1sf2 s LEU 294 N -4.89 2.74 0.00 3.11 1.43 -1.26 -5.03 118.68 114.77 1sf2 s LEU 294 Ca 0.09 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1sf2 s LEU 294 Cb 0.11 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.75 1sf2 s LEU 294 CO 0.60 0.29 0.00 0.61 0.23 0.00 0.00 176.35 178.07 1sf2 n GLY 295 N 2.70 3.06 3.52 -3.19 0.00 -1.26 -5.08 105.19 104.94 1sf2 n GLY 295 Ca -0.17 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 1sf2 n GLY 295 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sf2 s GLY 296 N 0.00 -0.49 0.11 -0.02 0.00 -1.26 -5.07 107.32 100.59 1sf2 s GLY 296 Ca 0.00 1.57 -0.32 0.00 0.00 0.00 0.00 44.72 45.98 1sf2 s GLY 296 CO 0.00 1.29 1.52 -0.84 0.00 0.00 0.00 173.10 175.07 1sf2 h THR 297 N 3.76 0.00 -0.00 0.90 2.02 -2.01 -2.91 112.91 114.68 1sf2 h THR 297 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1sf2 h THR 297 Cb 1.16 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1sf2 h THR 297 CO 0.20 0.00 -0.15 -1.22 0.37 0.00 0.00 175.52 174.72 1sf2 n TYR 298 N -5.24 0.00 -1.31 3.16 4.01 -1.26 -4.50 117.16 112.02 1sf2 n TYR 298 Ca -0.06 0.00 -0.51 0.00 -0.16 0.00 0.00 57.90 57.17 1sf2 n TYR 298 Cb 0.35 -0.37 -0.07 0.00 -0.31 0.00 0.00 39.34 38.94 1sf2 n TYR 298 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sf2 n ALA 299 N -1.40 -2.71 -3.64 -0.72 0.00 -1.10 -1.62 120.51 109.33 1sf2 n ALA 299 Ca 0.08 0.49 -0.22 0.00 0.00 0.00 0.00 53.44 53.79 1sf2 n ALA 299 Cb 0.32 -1.51 0.04 0.00 0.00 0.00 0.00 19.45 18.30 1sf2 n ALA 299 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sf2 n GLY 300 N 1.73 -0.53 3.69 0.00 0.00 -0.71 -4.57 105.19 104.80 1sf2 n GLY 300 Ca 0.19 0.24 -0.44 0.00 0.00 0.00 0.00 46.02 46.02 1sf2 n GLY 300 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sf2 n ASN 301 N -3.01 2.88 -0.16 1.61 2.85 -0.64 -4.79 115.26 114.00 1sf2 n ASN 301 Ca -0.23 1.16 -0.09 0.00 -0.11 0.00 0.00 54.58 55.31 1sf2 n ASN 301 Cb 0.65 -1.46 -0.04 0.00 1.24 0.00 0.00 39.78 40.18 1sf2 n ASN 301 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1sf2 h PRO 302 N 3.76 -0.26 -0.32 1.20 0.11 -1.89 -0.71 132.00 133.88 1sf2 h PRO 302 Ca -0.46 0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.71 1sf2 h PRO 302 Cb 1.27 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.40 1sf2 h PRO 302 CO 0.72 -0.17 0.10 0.82 -0.21 0.00 0.00 178.00 179.26 1sf2 h ILE 303 N -0.27 0.89 -0.92 4.15 5.03 -1.83 -2.03 117.51 122.53 1sf2 h ILE 303 Ca 0.16 -0.08 0.02 0.00 -0.12 0.00 0.00 64.86 64.84 1sf2 h ILE 303 Cb 0.57 0.64 -0.05 0.00 -3.03 0.00 0.00 36.82 34.95 1sf2 h ILE 303 CO -0.62 0.04 0.61 0.00 -0.68 0.00 0.00 178.15 177.50 1sf2 h ALA 304 N 1.21 1.19 0.39 1.87 0.00 -1.76 -1.78 119.26 120.38 1sf2 h ALA 304 Ca 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1sf2 h ALA 304 Cb 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1sf2 h ALA 304 CO -0.16 0.53 -0.19 0.00 0.00 0.00 0.00 179.25 179.43 1sf2 h VAL 306 N -0.61 1.03 -0.10 0.00 -1.51 -1.27 0.57 116.25 114.36 1sf2 h VAL 306 Ca -0.05 -0.09 -0.01 0.00 -1.23 0.00 0.00 66.70 65.32 1sf2 h VAL 306 Cb 0.45 0.75 -0.00 0.00 -2.13 0.00 0.00 31.29 30.35 1sf2 h VAL 306 CO 0.09 0.05 0.03 0.00 -1.23 0.00 0.00 177.57 176.51 1sf2 h ALA 307 N 1.87 0.13 -0.76 5.19 0.00 -0.80 -1.82 119.26 123.06 1sf2 h ALA 307 Ca 0.09 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1sf2 h ALA 307 Cb 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1sf2 h ALA 307 CO -0.02 -0.27 0.49 0.00 0.00 0.00 0.00 179.25 179.45 1sf2 h ALA 308 N 0.85 0.97 -0.90 0.00 0.00 0.11 -0.67 119.26 119.63 1sf2 h ALA 308 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sf2 h ALA 308 Cb 0.20 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1sf2 h ALA 308 CO -0.00 0.34 0.58 -0.07 0.00 0.00 0.00 179.25 180.10 1sf2 h LEU 309 N 0.99 1.05 -0.42 0.00 3.38 -0.80 -1.76 115.31 117.75 1sf2 h LEU 309 Ca 0.29 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 58.05 1sf2 h LEU 309 Cb -0.07 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.42 1sf2 h LEU 309 CO -0.08 0.77 -0.51 -0.08 0.09 0.00 0.00 178.44 178.63 1sf2 h GLU 310 N 1.23 0.75 -0.61 1.13 4.57 -0.64 -1.85 114.58 119.16 1sf2 h GLU 310 Ca 0.33 -0.45 0.03 0.00 -1.18 0.00 0.00 59.36 58.08 1sf2 h GLU 310 Cb -0.11 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.48 1sf2 h GLU 310 CO -0.07 1.08 0.37 0.28 -1.18 0.00 0.00 179.01 179.49 1sf2 h VAL 311 N 0.59 1.08 -0.73 0.32 2.07 -0.69 0.29 116.25 119.17 1sf2 h VAL 311 Ca 0.02 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1sf2 h VAL 311 Cb 1.08 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1sf2 h VAL 311 CO 0.11 0.13 0.34 -0.07 0.02 0.00 0.00 177.57 178.10 1sf2 h LEU 312 N 0.74 0.97 -0.70 2.57 3.38 -1.16 0.24 115.31 121.35 1sf2 h LEU 312 Ca 0.24 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1sf2 h LEU 312 Cb 0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1sf2 h LEU 312 CO -0.10 0.84 0.23 0.11 0.09 0.00 0.00 178.44 179.62 1sf2 h LYS 313 N 1.03 1.07 -0.48 1.13 1.57 -0.45 -2.87 116.57 117.57 1sf2 h LYS 313 Ca 0.25 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1sf2 h LYS 313 Cb 0.14 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1sf2 h LYS 313 CO -0.03 0.92 0.22 0.28 -0.57 0.00 0.00 179.45 180.27 1sf2 h VAL 314 N 1.02 1.20 -0.97 0.50 2.07 0.28 0.73 116.25 121.08 1sf2 h VAL 314 Ca 0.23 -0.57 0.13 0.00 0.82 0.00 0.00 66.70 67.30 1sf2 h VAL 314 Cb 0.28 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 30.64 1sf2 h VAL 314 CO -0.01 0.22 0.60 -0.26 0.02 0.00 0.00 177.57 178.14 1sf2 h PHE 315 N 0.64 1.08 0.54 1.57 -1.00 -0.80 0.13 116.94 119.09 1sf2 h PHE 315 Ca 0.16 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.95 1sf2 h PHE 315 Cb 0.14 -0.34 0.01 0.00 3.61 0.00 0.00 35.95 39.37 1sf2 h PHE 315 CO -0.00 0.40 -0.26 1.49 -1.61 0.00 0.00 178.31 178.33 1sf2 h GLU 316 N 0.93 -0.70 -0.99 1.51 4.57 -1.21 -1.82 114.58 116.88 1sf2 h GLU 316 Ca 0.49 0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.73 1sf2 h GLU 316 Cb 0.52 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.22 1sf2 h GLU 316 CO -0.28 -0.44 0.65 1.96 -1.18 0.00 0.00 179.01 179.72 1sf2 h GLN 317 N -1.17 1.30 -0.66 1.92 4.20 -0.63 -2.92 115.11 117.15 1sf2 h GLN 317 Ca -0.07 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1sf2 h GLN 317 Cb 0.57 -0.29 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1sf2 h GLN 317 CO 0.12 0.86 0.00 0.39 -0.67 0.00 0.00 178.83 179.53 1sf2 n GLU 318 N -4.38 3.02 -4.05 1.46 1.02 0.42 -4.97 120.64 113.15 1sf2 n GLU 318 Ca 0.12 -2.50 -0.27 0.00 -0.02 0.00 0.00 57.16 54.49 1sf2 n GLU 318 Cb 0.01 -1.68 -0.04 0.00 -0.02 0.00 0.00 31.44 29.71 1sf2 n GLU 318 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sf2 n ASN 319 N 1.23 -0.13 0.20 1.62 4.13 -0.94 -4.86 115.26 116.50 1sf2 n ASN 319 Ca 0.23 -1.07 0.04 0.00 1.68 0.00 0.00 54.58 55.45 1sf2 n ASN 319 Cb 0.69 -2.69 0.40 0.00 -1.54 0.00 0.00 39.78 36.64 1sf2 n ASN 319 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1sf2 h LEU 320 N -1.81 0.00 -0.25 3.41 3.38 -1.58 -1.78 115.31 116.68 1sf2 h LEU 320 Ca -0.64 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.29 1sf2 h LEU 320 Cb 1.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1sf2 h LEU 320 CO 0.65 0.33 -0.03 -0.07 0.09 0.00 0.00 178.44 179.42 1sf2 h LEU 321 N 0.00 0.45 -0.50 1.67 3.38 -1.89 0.33 115.31 118.76 1sf2 h LEU 321 Ca -0.00 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1sf2 h LEU 321 Cb 0.61 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1sf2 h LEU 321 CO 0.04 0.68 0.17 -0.61 0.09 0.00 0.00 178.44 178.82 1sf2 h GLN 322 N 0.21 0.76 -0.66 1.13 5.75 -1.81 -2.27 115.11 118.22 1sf2 h GLN 322 Ca 0.07 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 1sf2 h GLN 322 Cb 0.47 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 1sf2 h GLN 322 CO 0.02 0.70 0.33 0.87 -2.65 0.00 0.00 178.83 178.10 1sf2 h LYS 323 N 0.67 0.92 -0.19 1.69 1.57 -1.09 -0.45 116.57 119.69 1sf2 h LYS 323 Ca 0.16 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1sf2 h LYS 323 Cb 0.25 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1sf2 h LYS 323 CO -0.01 0.70 0.02 0.00 -0.57 0.00 0.00 179.45 179.59 1sf2 h ALA 324 N 1.44 0.18 -0.31 3.86 0.00 0.20 0.53 119.26 125.16 1sf2 h ALA 324 Ca 0.23 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1sf2 h ALA 324 Cb 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1sf2 h ALA 324 CO -0.03 -0.42 0.13 -0.91 0.00 0.00 0.00 179.25 178.02 1sf2 h ASN 325 N 0.09 0.43 -0.53 0.00 2.35 -0.89 -0.01 115.58 117.02 1sf2 h ASN 325 Ca 0.08 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1sf2 h ASN 325 Cb 0.09 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1sf2 h ASN 325 CO -0.13 0.46 0.31 0.44 -1.65 0.00 0.00 177.43 176.87 1sf2 h ASP 326 N 0.36 0.63 -0.90 5.81 3.32 -0.71 -1.84 116.42 123.09 1sf2 h ASP 326 Ca 0.11 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.11 1sf2 h ASP 326 Cb 0.17 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 1sf2 h ASP 326 CO -0.01 0.51 0.59 0.25 -1.72 0.00 0.00 179.24 178.87 1sf2 h LEU 327 N 0.70 1.01 -0.55 1.55 5.85 0.28 -1.74 115.31 122.42 1sf2 h LEU 327 Ca 0.19 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1sf2 h LEU 327 Cb -0.00 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1sf2 h LEU 327 CO -0.03 0.72 0.22 1.23 -0.34 0.00 0.00 178.44 180.24 1sf2 h GLY 328 N 1.19 0.88 0.90 3.75 0.00 -0.51 -0.67 103.07 108.62 1sf2 h GLY 328 Ca 0.34 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 1sf2 h GLY 328 CO -0.09 0.45 0.07 -1.61 0.00 0.00 0.00 176.54 175.36 1sf2 h GLN 329 N 0.74 0.54 -0.82 4.80 5.75 -0.98 -0.25 115.11 124.89 1sf2 h GLN 329 Ca 0.18 -0.14 0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1sf2 h GLN 329 Cb 0.19 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 1sf2 h GLN 329 CO -0.02 0.61 0.54 0.87 -2.65 0.00 0.00 178.83 178.18 1sf2 h LYS 330 N 0.38 1.08 0.05 1.69 1.57 -1.18 -1.11 116.57 119.05 1sf2 h LYS 330 Ca 0.10 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1sf2 h LYS 330 Cb 0.32 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1sf2 h LYS 330 CO 0.00 0.72 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.51 1sf2 h LEU 331 N 1.11 -0.05 -0.90 2.94 3.38 -0.84 -2.18 115.31 118.77 1sf2 h LEU 331 Ca 0.30 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1sf2 h LEU 331 Cb -0.12 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1sf2 h LEU 331 CO -0.06 0.22 0.59 0.11 0.09 0.00 0.00 178.44 179.38 1sf2 h LYS 332 N -0.33 1.15 -0.42 1.13 1.57 -0.86 0.56 116.57 119.37 1sf2 h LYS 332 Ca -0.01 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1sf2 h LYS 332 Cb 0.30 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1sf2 h LYS 332 CO 0.01 0.76 0.26 -0.44 -0.57 0.00 0.00 179.45 179.47 1sf2 h ASP 333 N 1.18 0.51 -0.01 0.86 3.32 -1.15 0.53 116.42 121.67 1sf2 h ASP 333 Ca 0.34 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 1sf2 h ASP 333 Cb -0.09 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1sf2 h ASP 333 CO -0.09 0.42 -0.24 1.23 -1.72 0.00 0.00 179.24 178.84 1sf2 h GLY 334 N 0.56 0.44 1.35 2.75 0.00 -0.95 -0.94 103.07 106.28 1sf2 h GLY 334 Ca 0.15 -0.34 -0.19 0.00 0.00 0.00 0.00 47.33 46.95 1sf2 h GLY 334 CO -0.03 0.32 -0.67 1.41 0.00 0.00 0.00 176.54 177.57 1sf2 h LEU 335 N 0.36 0.76 -1.20 3.11 3.38 -0.13 -2.25 115.31 119.33 1sf2 h LEU 335 Ca 0.06 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 1sf2 h LEU 335 Cb 0.62 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1sf2 h LEU 335 CO 0.04 1.22 -0.18 -0.07 0.09 0.00 0.00 178.44 179.55 1sf2 h LEU 336 N 0.47 0.32 -0.64 1.67 3.38 0.37 0.04 115.31 120.93 1sf2 h LEU 336 Ca -0.02 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 1sf2 h LEU 336 Cb 1.26 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1sf2 h LEU 336 CO 0.13 0.52 -0.26 0.00 0.09 0.00 0.00 178.44 178.92 1sf2 h ALA 337 N 1.51 0.82 -0.15 1.53 0.00 -0.95 -2.38 119.26 119.65 1sf2 h ALA 337 Ca 0.06 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1sf2 h ALA 337 Cb 0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1sf2 h ALA 337 CO 0.03 0.64 -0.46 0.82 0.00 0.00 0.00 179.25 180.29 1sf2 h ILE 338 N 0.67 1.32 0.00 0.00 2.04 -0.86 -2.94 117.51 117.75 1sf2 h ILE 338 Ca 0.08 -1.65 -0.04 0.00 1.00 0.00 0.00 64.86 64.25 1sf2 h ILE 338 Cb 0.79 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1sf2 h ILE 338 CO 0.07 0.50 -0.18 0.00 0.00 0.00 0.00 178.15 178.54 1sf2 h ALA 339 N 1.22 1.20 0.00 1.87 0.00 -0.53 -2.12 119.26 120.90 1sf2 h ALA 339 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1sf2 h ALA 339 Cb 0.92 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1sf2 h ALA 339 CO 0.08 0.22 -0.07 0.93 0.00 0.00 0.00 179.25 180.41 1sf2 h GLU 340 N 0.00 0.00 -0.26 0.00 5.08 -1.25 -2.08 114.58 116.07 1sf2 h GLU 340 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sf2 h GLU 340 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1sf2 h GLU 340 CO 0.02 0.07 0.00 1.63 -1.00 0.00 0.00 179.01 179.73 1sf2 n LYS 341 N -3.83 2.01 -3.39 2.33 5.02 -0.82 -4.86 118.16 114.63 1sf2 n LYS 341 Ca -0.02 -1.85 -0.17 0.00 -2.02 0.00 0.00 58.31 54.25 1sf2 n LYS 341 Cb 0.16 -1.33 -0.09 0.00 -0.02 0.00 0.00 35.03 33.75 1sf2 n LYS 341 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1sf2 s HIS 342 N -1.13 -0.46 0.40 2.13 3.76 -0.78 -5.01 115.29 114.19 1sf2 s HIS 342 Ca 0.25 -0.28 0.09 0.00 -0.15 0.00 0.00 55.06 54.97 1sf2 s HIS 342 Cb 0.15 -0.43 0.87 0.00 1.11 0.00 0.00 32.58 34.27 1sf2 s HIS 342 CO 0.21 -0.94 1.98 -1.35 -0.85 0.00 0.00 174.74 173.79 1sf2 h PRO 343 N 8.01 0.58 -0.51 8.40 0.11 -1.90 -2.41 132.00 144.28 1sf2 h PRO 343 Ca -0.09 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 66.13 1sf2 h PRO 343 Cb 1.07 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1sf2 h PRO 343 CO 0.30 0.38 0.75 0.93 -0.21 0.00 0.00 178.00 180.15 1sf2 h GLU 344 N 0.59 0.00 -5.76 1.05 3.07 -1.92 -3.32 114.58 108.29 1sf2 h GLU 344 Ca 0.28 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.53 1sf2 h GLU 344 Cb 0.32 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.11 1sf2 h GLU 344 CO -0.08 0.00 0.61 0.42 -1.40 0.00 0.00 179.01 178.55 1sf2 s ILE 345 N -4.40 4.30 -1.33 3.13 1.01 -0.91 0.10 121.20 123.10 1sf2 s ILE 345 Ca -0.03 0.05 0.25 0.00 0.00 0.00 0.00 60.65 60.92 1sf2 s ILE 345 Cb 0.12 -4.63 0.05 0.00 0.01 0.00 0.00 42.46 38.01 1sf2 s ILE 345 CO 0.42 -1.32 1.35 0.61 0.00 0.00 0.00 174.94 176.00 1sf2 n GLY 346 N 5.22 -0.90 3.59 6.18 0.00 0.06 -4.95 105.19 114.39 1sf2 n GLY 346 Ca -0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 1sf2 n GLY 346 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sf2 s ASP 347 N -2.80 -0.60 -0.08 1.61 2.15 -1.22 -4.97 116.67 110.77 1sf2 s ASP 347 Ca 0.15 0.94 0.01 0.00 0.43 0.00 0.00 52.55 54.08 1sf2 s ASP 347 Cb 0.18 0.88 0.02 0.00 -0.30 0.00 0.00 42.92 43.70 1sf2 s ASP 347 CO 0.66 -0.35 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.53 1sf2 s VAL 348 N -0.37 0.92 0.31 1.11 1.01 -1.26 -1.51 120.40 120.61 1sf2 s VAL 348 Ca -0.03 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 1sf2 s VAL 348 Cb -0.03 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.47 1sf2 s VAL 348 CO 0.02 0.33 0.69 0.00 0.00 0.00 0.00 175.10 176.14 1sf2 s ARG 349 N 1.13 1.88 0.00 2.72 1.70 -0.48 -5.02 118.95 120.88 1sf2 s ARG 349 Ca -0.06 -1.19 0.00 0.00 -0.47 0.00 0.00 55.73 54.01 1sf2 s ARG 349 Cb -0.14 0.59 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 1sf2 s ARG 349 CO -0.01 -0.86 0.00 0.41 -1.08 0.00 0.00 175.30 173.76 1sf2 n GLY 350 N -0.47 4.86 3.85 3.88 0.00 -1.26 -1.72 105.19 114.34 1sf2 n GLY 350 Ca -0.05 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 1sf2 n GLY 350 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sf2 s LEU 351 N 0.00 4.38 0.00 0.99 1.43 -1.25 -4.86 118.68 119.38 1sf2 s LEU 351 Ca 0.00 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 1sf2 s LEU 351 Cb 0.00 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.32 1sf2 s LEU 351 CO 0.00 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1sf2 n GLY 352 N 1.16 3.18 1.37 -3.19 0.00 -0.80 -0.86 105.19 106.06 1sf2 n GLY 352 Ca -0.09 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1sf2 n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sf2 n ALA 353 N 10.81 3.16 -2.56 4.61 0.00 0.24 -3.73 120.51 133.05 1sf2 n ALA 353 Ca 0.00 -1.82 -0.43 0.00 0.00 0.00 0.00 53.44 51.19 1sf2 n ALA 353 Cb 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 18.56 1sf2 n ALA 353 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1sf2 n MET 354 N 0.49 4.03 -3.48 0.00 0.00 -0.04 -4.74 117.12 113.39 1sf2 n MET 354 Ca 0.24 -3.92 -0.36 0.00 0.00 0.00 0.00 57.70 53.66 1sf2 n MET 354 Cb 0.92 -2.75 -0.06 0.00 0.00 0.00 0.00 33.22 31.33 1sf2 n MET 354 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1sf2 s ILE 355 N -0.96 4.99 0.07 1.12 -1.09 -1.25 -3.83 121.20 120.25 1sf2 s ILE 355 Ca 0.37 0.70 -0.18 0.00 -2.23 0.00 0.00 60.65 59.32 1sf2 s ILE 355 Cb 0.09 -3.70 0.04 0.00 -1.58 0.00 0.00 42.46 37.30 1sf2 s ILE 355 CO 0.03 0.37 0.41 0.00 -1.23 0.00 0.00 174.94 174.53 1sf2 s ALA 356 N -1.31 -1.00 0.06 9.38 0.00 -0.70 0.18 121.76 128.37 1sf2 s ALA 356 Ca 0.31 0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.55 1sf2 s ALA 356 Cb -0.15 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1sf2 s ALA 356 CO 0.17 -0.51 -0.15 0.96 0.00 0.00 0.00 175.76 176.23 1sf2 s ILE 357 N -2.84 1.16 -0.10 0.00 -4.36 0.42 -1.38 121.20 114.11 1sf2 s ILE 357 Ca -0.03 -1.20 0.04 0.00 -0.26 0.00 0.00 60.65 59.20 1sf2 s ILE 357 Cb -0.00 -1.08 -0.00 0.00 1.25 0.00 0.00 42.46 42.62 1sf2 s ILE 357 CO -0.05 -0.12 -0.23 -0.70 0.24 0.00 0.00 174.94 174.08 1sf2 s GLU 358 N -1.51 3.03 -0.06 0.37 2.12 -0.57 -0.80 118.70 121.28 1sf2 s GLU 358 Ca 0.00 -0.86 -0.07 0.00 0.36 0.00 0.00 54.97 54.40 1sf2 s GLU 358 Cb -0.09 -2.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.93 1sf2 s GLU 358 CO 0.02 0.21 0.22 -0.51 -0.54 0.00 0.00 175.26 174.65 1sf2 s LEU 359 N 0.28 4.40 0.01 2.70 1.43 -0.26 -0.76 118.68 126.47 1sf2 s LEU 359 Ca -0.16 0.55 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1sf2 s LEU 359 Cb -0.17 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 1sf2 s LEU 359 CO 0.08 0.34 -0.09 -0.36 0.23 0.00 0.00 176.35 176.55 1sf2 s PHE 360 N -1.14 0.80 -0.07 0.29 2.99 0.28 -2.31 117.98 118.82 1sf2 s PHE 360 Ca 0.21 -0.25 -0.30 0.00 0.00 0.00 0.00 56.93 56.59 1sf2 s PHE 360 Cb -0.13 -0.49 -0.04 0.00 0.00 0.00 0.00 43.02 42.36 1sf2 s PHE 360 CO 0.10 -0.02 1.41 -1.21 -0.00 0.00 0.00 175.22 175.51 1sf2 s GLU 361 N -0.66 4.24 -1.43 0.44 2.02 -0.24 -2.65 118.70 120.42 1sf2 s GLU 361 Ca 0.00 1.91 -0.07 0.00 0.02 0.00 0.00 54.97 56.83 1sf2 s GLU 361 Cb -0.05 -3.74 0.05 0.00 0.10 0.00 0.00 34.13 30.48 1sf2 s GLU 361 CO 0.00 -0.68 0.82 -0.25 0.02 0.00 0.00 175.26 175.17 1sf2 n ASP 362 N 6.23 -2.94 -1.77 -0.19 9.92 -1.26 -1.07 116.55 125.47 1sf2 n ASP 362 Ca 0.14 -0.82 -0.05 0.00 -0.53 0.00 0.00 54.79 53.53 1sf2 n ASP 362 Cb 0.44 -3.87 -0.01 0.00 -0.64 0.00 0.00 41.12 37.03 1sf2 n ASP 362 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sf2 n GLY 363 N -1.66 0.04 3.48 0.44 0.00 -1.08 -4.85 105.19 101.55 1sf2 n GLY 363 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1sf2 n GLY 363 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sf2 s ASP 364 N -1.71 6.22 0.00 1.61 -1.08 -0.23 -4.89 116.67 116.59 1sf2 s ASP 364 Ca 0.00 -0.78 0.00 0.00 -0.52 0.00 0.00 52.55 51.25 1sf2 s ASP 364 Cb 0.00 -2.43 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1sf2 s ASP 364 CO 0.00 -1.39 0.17 1.41 0.52 0.00 0.00 175.17 175.88 1sf2 n HIS 365 N 7.69 0.00 -0.28 -5.34 8.25 -1.26 0.70 115.22 124.99 1sf2 n HIS 365 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1sf2 n HIS 365 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1sf2 n HIS 365 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1sf2 n ASN 366 N -0.58 1.24 -3.94 0.41 0.23 -1.26 -4.87 115.26 106.49 1sf2 n ASN 366 Ca 0.00 -1.52 -0.33 0.00 -0.53 0.00 0.00 54.58 52.21 1sf2 n ASN 366 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 1sf2 n ASN 366 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1sf2 n LYS 367 N -0.26 2.49 -1.67 -3.83 5.02 0.22 -5.07 118.16 115.07 1sf2 n LYS 367 Ca 0.00 -4.52 -0.49 0.00 -2.02 0.00 0.00 58.31 51.28 1sf2 n LYS 367 Cb 0.25 -2.36 -0.05 0.00 -0.02 0.00 0.00 35.03 32.85 1sf2 n LYS 367 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1sf2 n PRO 368 N 1.92 1.90 -3.15 1.97 -0.02 -1.26 -1.08 135.00 135.28 1sf2 n PRO 368 Ca 0.23 0.69 -0.44 0.00 -2.02 0.00 0.00 63.50 61.96 1sf2 n PRO 368 Cb 0.37 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1sf2 n PRO 368 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1sf2 n ASP 369 N 4.64 5.74 0.15 2.55 -0.08 -0.98 -4.74 116.55 123.84 1sf2 n ASP 369 Ca 0.20 -3.15 0.01 0.00 -1.51 0.00 0.00 54.79 50.35 1sf2 n ASP 369 Cb 0.26 -1.37 0.22 0.00 2.34 0.00 0.00 41.12 42.57 1sf2 n ASP 369 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sf2 h ALA 370 N 6.29 0.99 -0.43 -1.67 0.00 -1.78 -2.76 119.26 119.90 1sf2 h ALA 370 Ca 0.21 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1sf2 h ALA 370 Cb 0.78 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1sf2 h ALA 370 CO 1.16 0.67 0.03 0.87 0.00 0.00 0.00 179.25 181.99 1sf2 h LYS 371 N 0.00 0.73 -0.10 0.00 1.57 -1.87 -1.38 116.57 115.52 1sf2 h LYS 371 Ca -0.01 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1sf2 h LYS 371 Cb 1.03 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1sf2 h LYS 371 CO 0.07 0.79 0.01 1.25 -0.57 0.00 0.00 179.45 181.00 1sf2 h LEU 372 N 0.58 0.16 -0.54 2.94 5.85 -1.95 -0.66 115.31 121.69 1sf2 h LEU 372 Ca 0.12 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.67 1sf2 h LEU 372 Cb 0.44 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 1sf2 h LEU 372 CO 0.02 0.40 0.05 0.74 -0.34 0.00 0.00 178.44 179.30 1sf2 h THR 373 N -0.08 0.62 -0.39 1.05 2.02 -1.41 0.40 112.91 115.11 1sf2 h THR 373 Ca 0.03 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 1sf2 h THR 373 Cb 0.31 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1sf2 h THR 373 CO 0.00 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.93 1sf2 h ALA 374 N 1.46 1.27 -0.63 6.16 0.00 -1.13 -2.18 119.26 124.22 1sf2 h ALA 374 Ca 0.28 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1sf2 h ALA 374 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1sf2 h ALA 374 CO -0.42 0.49 0.04 1.49 0.00 0.00 0.00 179.25 180.85 1sf2 h GLU 375 N 0.59 1.09 -0.54 0.00 4.81 0.12 -1.88 114.58 118.78 1sf2 h GLU 375 Ca 0.12 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 58.97 1sf2 h GLU 375 Cb 0.37 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1sf2 h GLU 375 CO 0.01 1.04 0.12 0.82 -0.73 0.00 0.00 179.01 180.27 1sf2 h ILE 376 N 1.00 1.25 -0.68 2.32 1.08 -0.17 0.43 117.51 122.74 1sf2 h ILE 376 Ca 0.18 -0.89 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1sf2 h ILE 376 Cb 0.52 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 1sf2 h ILE 376 CO 0.03 0.32 0.40 0.58 -0.69 0.00 0.00 178.15 178.79 1sf2 h VAL 377 N 0.76 1.20 -0.09 1.67 2.07 -1.25 0.24 116.25 120.85 1sf2 h VAL 377 Ca 0.17 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1sf2 h VAL 377 Cb 0.35 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1sf2 h VAL 377 CO 0.00 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.81 1sf2 h ALA 378 N 1.20 0.13 -0.41 1.67 0.00 -1.05 -1.74 119.26 119.06 1sf2 h ALA 378 Ca 0.24 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1sf2 h ALA 378 Cb -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1sf2 h ALA 378 CO -0.04 -0.19 0.26 0.00 0.00 0.00 0.00 179.25 179.28 1sf2 h ARG 379 N -0.10 0.52 -0.69 0.00 3.08 -0.77 -2.23 114.38 114.19 1sf2 h ARG 379 Ca 0.03 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.12 1sf2 h ARG 379 Cb 0.34 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 1sf2 h ARG 379 CO 0.00 0.35 0.36 0.00 -1.07 0.00 0.00 179.97 179.61 1sf2 h ALA 380 N 1.16 0.93 -0.80 0.04 0.00 -0.43 -1.43 119.26 118.74 1sf2 h ALA 380 Ca 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1sf2 h ALA 380 Cb -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1sf2 h ALA 380 CO -0.05 -0.01 0.46 -0.09 0.00 0.00 0.00 179.25 179.57 1sf2 h ARG 381 N 0.64 1.09 0.00 0.00 2.43 -0.88 0.29 114.38 117.94 1sf2 h ARG 381 Ca 0.32 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1sf2 h ARG 381 Cb 0.28 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1sf2 h ARG 381 CO -0.23 0.78 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.40 1sf2 h ASP 382 N 1.10 0.00 -0.39 -3.80 3.45 -0.71 -1.65 116.42 114.43 1sf2 h ASP 382 Ca 0.28 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.74 1sf2 h ASP 382 Cb -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 1sf2 h ASP 382 CO -0.05 0.17 0.00 0.29 -1.57 0.00 0.00 179.24 178.08 1sf2 n LYS 383 N -3.45 2.11 -0.67 3.56 5.02 -0.47 -4.93 118.16 119.33 1sf2 n LYS 383 Ca -0.01 -1.71 0.00 0.00 -2.02 0.00 0.00 58.31 54.57 1sf2 n LYS 383 Cb 0.34 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1sf2 n LYS 383 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sf2 n GLY 384 N 1.30 0.64 3.37 0.72 0.00 -0.62 -5.00 105.19 105.59 1sf2 n GLY 384 Ca 0.17 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1sf2 n GLY 384 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sf2 s LEU 385 N 0.00 3.01 -0.29 0.99 2.96 0.89 -0.50 118.68 125.74 1sf2 s LEU 385 Ca 0.00 -0.31 -0.20 0.00 -0.22 0.00 0.00 54.13 53.40 1sf2 s LEU 385 Cb 0.00 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1sf2 s LEU 385 CO 0.00 0.03 0.60 -0.63 -1.32 0.00 0.00 176.35 175.03 1sf2 s ILE 386 N 1.17 4.98 0.29 6.68 -1.09 -0.41 -2.37 121.20 130.45 1sf2 s ILE 386 Ca 0.02 0.87 0.06 0.00 -2.23 0.00 0.00 60.65 59.37 1sf2 s ILE 386 Cb -0.14 -3.95 -0.06 0.00 -1.58 0.00 0.00 42.46 36.72 1sf2 s ILE 386 CO -0.00 -0.07 -0.02 -0.76 -1.23 0.00 0.00 174.94 172.85 1sf2 s LEU 387 N 2.52 2.40 0.03 2.97 1.43 -1.26 -1.53 118.68 125.23 1sf2 s LEU 387 Ca 0.24 -1.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.13 1sf2 s LEU 387 Cb -0.15 -0.55 -0.02 0.00 0.03 0.00 0.00 46.19 45.50 1sf2 s LEU 387 CO 0.11 -0.42 -0.08 -0.76 0.23 0.00 0.00 176.35 175.42 1sf2 s LEU 388 N -3.44 2.17 0.54 1.79 1.43 -1.26 -4.91 118.68 114.99 1sf2 s LEU 388 Ca 0.31 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 1sf2 s LEU 388 Cb 0.05 -0.28 0.04 0.00 0.03 0.00 0.00 46.19 46.03 1sf2 s LEU 388 CO 0.12 -0.08 0.43 -0.94 0.23 0.00 0.00 176.35 176.12 1sf2 s SER 389 N -1.08 4.70 0.06 2.29 1.04 -1.26 -2.46 113.70 116.99 1sf2 s SER 389 Ca -0.04 -1.17 -0.20 0.00 0.48 0.00 0.00 55.95 55.01 1sf2 s SER 389 Cb -0.07 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.44 1sf2 s SER 389 CO 0.00 -1.09 0.93 0.00 0.98 0.00 0.00 173.24 174.06 1sf2 n GLY 391 N -0.66 2.41 0.27 0.00 0.00 0.48 -1.84 105.19 105.86 1sf2 n GLY 391 Ca 0.01 -1.75 0.11 0.00 0.00 0.00 0.00 46.02 44.39 1sf2 n GLY 391 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sf2 h PRO 392 N 0.00 0.00 -0.57 1.61 0.13 -1.78 -2.24 132.00 129.15 1sf2 h PRO 392 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1sf2 h PRO 392 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1sf2 h PRO 392 CO 0.00 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.43 1sf2 n TYR 393 N -4.26 1.11 -3.47 1.56 4.02 -1.26 -4.96 117.16 109.90 1sf2 n TYR 393 Ca -0.03 -0.59 -0.25 0.00 -0.01 0.00 0.00 57.90 57.02 1sf2 n TYR 393 Cb 0.09 -0.15 0.01 0.00 -0.02 0.00 0.00 39.34 39.27 1sf2 n TYR 393 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1sf2 n TYR 394 N 0.97 -2.00 -1.21 -0.72 4.02 -0.84 -4.45 117.16 112.93 1sf2 n TYR 394 Ca 0.22 0.63 0.09 0.00 -0.01 0.00 0.00 57.90 58.83 1sf2 n TYR 394 Cb 0.74 -3.64 0.13 0.00 -0.02 0.00 0.00 39.34 36.55 1sf2 n TYR 394 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1sf2 n ASN 395 N -2.52 2.09 -4.25 7.72 6.94 -1.23 -4.34 115.26 119.67 1sf2 n ASN 395 Ca -0.02 -3.07 -0.32 0.00 -0.02 0.00 0.00 54.58 51.15 1sf2 n ASN 395 Cb 0.55 -0.42 -0.16 0.00 -2.36 0.00 0.00 39.78 37.39 1sf2 n ASN 395 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1sf2 s VAL 396 N -2.66 2.29 -0.18 3.53 1.01 -0.77 -1.11 120.40 122.52 1sf2 s VAL 396 Ca 0.30 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1sf2 s VAL 396 Cb 0.27 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1sf2 s VAL 396 CO 0.02 0.55 0.02 -0.76 0.00 0.00 0.00 175.10 174.93 1sf2 s LEU 397 N 0.35 3.50 0.26 3.92 1.43 0.01 -0.05 118.68 128.10 1sf2 s LEU 397 Ca -0.17 -0.06 0.11 0.00 -1.03 0.00 0.00 54.13 52.98 1sf2 s LEU 397 Cb -0.17 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 1sf2 s LEU 397 CO 0.08 0.14 -0.16 0.00 0.23 0.00 0.00 176.35 176.64 1sf2 s ARG 398 N 0.58 1.80 -0.18 1.70 1.70 -1.03 -0.43 118.95 123.09 1sf2 s ARG 398 Ca 0.00 -1.63 0.01 0.00 -0.47 0.00 0.00 55.73 53.64 1sf2 s ARG 398 Cb -0.14 -1.88 0.03 0.00 -0.57 0.00 0.00 34.95 32.39 1sf2 s ARG 398 CO 0.02 0.35 -0.15 0.42 -1.08 0.00 0.00 175.30 174.86 1sf2 s ILE 399 N -2.30 1.81 -0.16 4.99 1.01 0.13 -4.35 121.20 122.33 1sf2 s ILE 399 Ca 0.29 -0.92 0.14 0.00 0.00 0.00 0.00 60.65 60.16 1sf2 s ILE 399 Cb -0.06 -1.74 0.42 0.00 0.01 0.00 0.00 42.46 41.09 1sf2 s ILE 399 CO 0.15 0.37 1.21 0.18 0.00 0.00 0.00 174.94 176.85 1sf2 n LEU 400 N 4.67 2.31 -4.72 2.97 4.77 0.79 -3.87 117.00 123.92 1sf2 n LEU 400 Ca -0.17 -3.46 -0.39 0.00 -0.03 0.00 0.00 56.01 51.95 1sf2 n LEU 400 Cb 0.48 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1sf2 n LEU 400 CO 0.23 1.19 0.93 0.55 -1.33 0.00 0.00 177.39 178.96 1sf2 n VAL 401 N -0.76 3.40 -1.50 4.08 3.14 -1.09 -3.77 118.33 121.84 1sf2 n VAL 401 Ca 0.16 -0.50 -0.40 0.00 -2.96 0.00 0.00 64.34 60.64 1sf2 n VAL 401 Cb 0.79 -1.62 0.02 0.00 -1.06 0.00 0.00 33.84 31.98 1sf2 n VAL 401 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1sf2 n PRO 402 N -0.67 0.70 0.18 1.45 -0.02 -1.26 -4.84 135.00 130.54 1sf2 n PRO 402 Ca 0.09 0.26 0.14 0.00 -2.02 0.00 0.00 63.50 61.97 1sf2 n PRO 402 Cb 0.43 -1.72 0.49 0.00 -0.02 0.00 0.00 33.50 32.68 1sf2 n PRO 402 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1sf2 h LEU 403 N 0.67 0.00 -0.69 2.45 3.38 -1.11 -2.60 115.31 117.41 1sf2 h LEU 403 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1sf2 h LEU 403 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1sf2 h LEU 403 CO 0.50 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.38 1sf2 n THR 404 N -2.61 0.24 -1.58 0.22 -2.24 -1.23 -4.80 114.28 102.28 1sf2 n THR 404 Ca 0.03 -0.19 -0.40 0.00 -2.27 0.00 0.00 64.05 61.22 1sf2 n THR 404 Cb 0.33 -0.03 0.03 0.00 -2.10 0.00 0.00 70.33 68.56 1sf2 n THR 404 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sf2 n ILE 405 N -0.07 2.75 -2.78 2.28 3.06 -0.98 -4.93 119.36 118.68 1sf2 n ILE 405 Ca 0.04 -0.50 -0.33 0.00 -2.50 0.00 0.00 62.75 59.47 1sf2 n ILE 405 Cb 0.18 -1.03 -0.06 0.00 0.54 0.00 0.00 39.64 39.26 1sf2 n ILE 405 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1sf2 s GLU 406 N -2.22 4.13 0.22 9.51 2.02 -1.26 -4.97 118.70 126.13 1sf2 s GLU 406 Ca 0.68 1.01 -0.08 0.00 0.02 0.00 0.00 54.97 56.60 1sf2 s GLU 406 Cb -0.50 -2.21 0.34 0.00 0.10 0.00 0.00 34.13 31.86 1sf2 s GLU 406 CO 0.53 -0.05 1.71 -0.44 0.02 0.00 0.00 175.26 177.03 1sf2 h ASP 407 N 1.74 0.05 -0.66 -0.19 3.32 -2.01 -1.38 116.42 117.29 1sf2 h ASP 407 Ca -0.48 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 1sf2 h ASP 407 Cb 1.18 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.85 1sf2 h ASP 407 CO 0.62 0.02 0.38 0.00 -1.72 0.00 0.00 179.24 178.54 1sf2 h ALA 408 N 1.51 1.39 0.00 3.45 0.00 -2.00 -1.71 119.26 121.90 1sf2 h ALA 408 Ca 0.34 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1sf2 h ALA 408 Cb 0.52 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1sf2 h ALA 408 CO -0.42 0.51 -0.17 1.96 0.00 0.00 0.00 179.25 181.13 1sf2 h GLN 409 N 0.94 0.00 -0.35 0.00 4.20 -1.65 0.23 115.11 118.48 1sf2 h GLN 409 Ca 0.24 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.85 1sf2 h GLN 409 Cb 0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1sf2 h GLN 409 CO -0.04 0.17 -0.17 0.82 -0.67 0.00 0.00 178.83 178.93 1sf2 h ILE 410 N 0.00 1.29 -0.28 2.54 2.04 -0.84 -1.05 117.51 121.21 1sf2 h ILE 410 Ca -0.00 -1.30 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 1sf2 h ILE 410 Cb 0.68 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1sf2 h ILE 410 CO 0.02 0.43 -0.02 0.03 0.00 0.00 0.00 178.15 178.61 1sf2 h ARG 411 N 0.52 0.50 -0.14 2.37 2.47 -1.19 -2.90 114.38 116.02 1sf2 h ARG 411 Ca 0.08 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1sf2 h ARG 411 Cb 0.72 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 1sf2 h ARG 411 CO 0.05 0.67 0.09 0.37 0.56 0.00 0.00 179.97 181.72 1sf2 h GLN 412 N 0.28 0.19 -0.29 0.04 4.15 -0.87 0.13 115.11 118.73 1sf2 h GLN 412 Ca 0.08 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1sf2 h GLN 412 Cb 0.46 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1sf2 h GLN 412 CO 0.02 0.15 0.13 0.78 -1.93 0.00 0.00 178.83 177.97 1sf2 h GLY 413 N 0.18 0.45 0.95 2.39 0.00 -1.24 0.07 103.07 105.86 1sf2 h GLY 413 Ca 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1sf2 h GLY 413 CO -0.01 0.22 0.17 1.41 0.00 0.00 0.00 176.54 178.32 1sf2 h LEU 414 N 0.32 0.57 -0.48 3.11 3.38 -1.46 -1.19 115.31 119.57 1sf2 h LEU 414 Ca 0.10 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1sf2 h LEU 414 Cb 0.14 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1sf2 h LEU 414 CO -0.01 0.58 0.30 -0.08 0.09 0.00 0.00 178.44 179.32 1sf2 h GLU 415 N 0.53 0.58 -0.10 1.13 4.57 -0.78 0.45 114.58 120.96 1sf2 h GLU 415 Ca 0.14 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1sf2 h GLU 415 Cb 0.19 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1sf2 h GLU 415 CO -0.01 0.38 0.05 0.82 -1.18 0.00 0.00 179.01 179.07 1sf2 h ILE 416 N 0.60 1.00 -0.32 2.32 2.04 -0.78 -0.64 117.51 121.73 1sf2 h ILE 416 Ca 0.18 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 66.07 1sf2 h ILE 416 Cb -0.02 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1sf2 h ILE 416 CO -0.07 0.02 -0.02 0.40 0.00 0.00 0.00 178.15 178.48 1sf2 h ILE 417 N 0.11 0.74 -0.42 -0.67 2.04 -0.78 0.11 117.51 118.64 1sf2 h ILE 417 Ca 0.04 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.96 1sf2 h ILE 417 Cb 0.00 0.67 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 1sf2 h ILE 417 CO -0.02 0.01 -0.07 -1.28 0.00 0.00 0.00 178.15 176.78 1sf2 h SER 418 N 0.06 -0.33 -1.00 1.72 0.87 -0.52 0.11 113.55 114.47 1sf2 h SER 418 Ca 0.15 0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.86 1sf2 h SER 418 Cb 0.22 0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 62.36 1sf2 h SER 418 CO -0.28 -0.11 0.65 1.56 -0.53 0.00 0.00 176.83 178.12 1sf2 h GLN 419 N 0.03 1.25 -0.40 2.24 4.20 0.09 -0.74 115.11 121.78 1sf2 h GLN 419 Ca 0.20 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.87 1sf2 h GLN 419 Cb 0.31 -0.28 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 1sf2 h GLN 419 CO -0.41 0.83 0.19 0.00 -0.67 0.00 0.00 178.83 178.78 1sf2 h PHE 421 N 0.39 1.12 -0.20 0.00 -1.00 -0.85 -1.64 116.94 114.76 1sf2 h PHE 421 Ca 0.17 -0.27 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 1sf2 h PHE 421 Cb 0.09 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.38 1sf2 h PHE 421 CO -0.11 1.09 0.10 -0.44 -1.61 0.00 0.00 178.31 177.34 1sf2 h ASP 422 N 0.83 0.26 0.82 2.17 3.32 -0.49 -0.62 116.42 122.70 1sf2 h ASP 422 Ca 0.11 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1sf2 h ASP 422 Cb 0.78 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1sf2 h ASP 422 CO 0.06 0.31 0.00 -0.62 -1.72 0.00 0.00 179.24 177.27 1sf2 n GLU 423 N -4.86 0.08 -0.01 3.56 1.02 0.17 -2.71 120.64 117.89 1sf2 n GLU 423 Ca -0.04 0.23 -0.17 0.00 -0.02 0.00 0.00 57.16 57.16 1sf2 n GLU 423 Cb 0.09 -1.63 -0.14 0.00 -0.02 0.00 0.00 31.44 29.74 1sf2 n GLU 423 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sf2 n ALA 424 N -1.61 1.10 0.32 0.62 0.00 -0.62 -3.93 120.51 116.39 1sf2 n ALA 424 Ca 0.04 -0.66 0.13 0.00 0.00 0.00 0.00 53.44 52.95 1sf2 n ALA 424 Cb 0.26 -0.73 0.57 0.00 0.00 0.00 0.00 19.45 19.56 1sf2 n ALA 424 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1sf2 h LYS 425 N 0.05 0.00 0.00 0.00 3.64 -0.91 -3.51 116.57 115.84 1sf2 h LYS 425 Ca -0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1sf2 h LYS 425 Cb 2.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.85 1sf2 h LYS 425 CO 0.08 0.00 0.00 1.04 -2.27 0.00 0.00 179.45 178.30