#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 3.44 0.12 6.41 1.04 -1.26 -4.06 113.70 119.39 1sf2 s SER 3 Ca 0.00 -0.73 -0.18 0.00 0.48 0.00 0.00 55.95 55.52 1sf2 s SER 3 Cb 0.00 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 1sf2 s SER 3 CO 0.00 0.17 1.72 0.78 0.98 0.00 0.00 173.24 176.89 1sf2 h ASN 4 N 3.77 0.37 -0.66 7.02 2.35 -1.93 -2.72 115.58 123.78 1sf2 h ASN 4 Ca -0.50 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.11 1sf2 h ASN 4 Cb 1.17 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.42 1sf2 h ASN 4 CO 0.41 0.36 0.24 0.11 -1.65 0.00 0.00 177.43 176.90 1sf2 h LYS 5 N 0.35 1.03 -0.52 0.81 1.57 -1.97 0.51 116.57 118.36 1sf2 h LYS 5 Ca 0.10 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1sf2 h LYS 5 Cb 0.07 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1sf2 h LYS 5 CO -0.02 0.86 0.34 1.49 -0.57 0.00 0.00 179.45 181.55 1sf2 h GLU 6 N 1.00 0.69 -0.39 3.15 4.81 -1.95 -0.73 114.58 121.15 1sf2 h GLU 6 Ca 0.23 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 1sf2 h GLU 6 Cb 0.24 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1sf2 h GLU 6 CO -0.01 0.47 -0.25 -0.07 -0.73 0.00 0.00 179.01 178.41 1sf2 h LEU 7 N 0.70 0.83 -1.17 1.64 3.38 -1.14 -1.89 115.31 117.66 1sf2 h LEU 7 Ca 0.19 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1sf2 h LEU 7 Cb -0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1sf2 h LEU 7 CO -0.04 1.04 0.37 0.24 0.09 0.00 0.00 178.44 180.14 1sf2 h MET 8 N 0.70 0.95 -0.13 1.13 2.86 -0.40 0.20 114.93 120.24 1sf2 h MET 8 Ca 0.09 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1sf2 h MET 8 Cb 0.78 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1sf2 h MET 8 CO 0.06 0.70 0.02 0.37 1.06 0.00 0.00 176.91 179.12 1sf2 h GLN 9 N 0.95 0.21 -0.37 1.72 5.75 -0.83 -0.31 115.11 122.25 1sf2 h GLN 9 Ca 0.24 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1sf2 h GLN 9 Cb 0.03 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1sf2 h GLN 9 CO -0.04 0.42 0.18 0.00 -2.65 0.00 0.00 178.83 176.74 1sf2 h ARG 10 N -0.02 0.50 -0.69 1.69 3.08 -0.78 -1.88 114.38 116.28 1sf2 h ARG 10 Ca 0.04 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1sf2 h ARG 10 Cb 0.31 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1sf2 h ARG 10 CO 0.00 0.39 0.17 -0.09 -1.07 0.00 0.00 179.97 179.37 1sf2 h ARG 11 N 0.51 1.11 0.00 0.04 2.43 -0.12 -2.12 114.38 116.23 1sf2 h ARG 11 Ca 0.13 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1sf2 h ARG 11 Cb 0.05 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1sf2 h ARG 11 CO -0.02 0.98 -0.12 0.66 -1.51 0.00 0.00 179.97 179.96 1sf2 h SER 12 N 1.04 0.00 0.38 -3.80 4.64 -0.24 -0.16 113.55 115.41 1sf2 h SER 12 Ca 0.22 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.31 1sf2 h SER 12 Cb 0.37 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 1sf2 h SER 12 CO 0.00 0.12 -1.82 0.00 -0.87 0.00 0.00 176.83 174.27 1sf2 n GLN 13 N -3.46 0.65 -0.02 4.77 1.13 -1.07 -4.55 117.38 114.83 1sf2 n GLN 13 Ca -0.01 0.11 0.06 0.00 -1.94 0.00 0.00 57.00 55.23 1sf2 n GLN 13 Cb 0.28 -1.69 -0.15 0.00 0.11 0.00 0.00 30.24 28.80 1sf2 n GLN 13 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sf2 n ALA 14 N -2.51 2.50 -2.70 -1.58 0.00 -0.82 -4.98 120.51 110.43 1sf2 n ALA 14 Ca -0.17 -0.58 -0.29 0.00 0.00 0.00 0.00 53.44 52.40 1sf2 n ALA 14 Cb 0.93 -0.56 -0.16 0.00 0.00 0.00 0.00 19.45 19.66 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 -3.17 1.76 0.63 0.00 1.01 -0.09 -5.08 121.20 116.27 1sf2 s ILE 15 Ca -0.07 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 59.48 1sf2 s ILE 15 Cb 0.11 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1sf2 s ILE 15 CO 0.78 0.50 1.18 -0.81 0.00 0.00 0.00 174.94 176.59 1sf2 n PRO 16 N 2.90 1.05 0.26 2.79 -0.04 -1.26 -4.60 135.00 136.10 1sf2 n PRO 16 Ca -0.17 0.41 0.17 0.00 -0.04 0.00 0.00 63.50 63.87 1sf2 n PRO 16 Cb 0.52 -2.41 0.76 0.00 -0.04 0.00 0.00 33.50 32.34 1sf2 n PRO 16 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 1sf2 h ARG 17 N 0.53 0.00 -0.85 0.54 0.11 -1.94 -2.73 114.38 110.03 1sf2 h ARG 17 Ca -0.50 0.00 0.14 0.00 0.10 0.00 0.00 59.98 59.72 1sf2 h ARG 17 Cb 1.35 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.36 1sf2 h ARG 17 CO 0.52 0.00 0.56 0.78 0.10 0.00 0.00 179.97 181.93 1sf2 h GLY 18 N 1.55 1.07 -7.11 0.08 0.00 -2.04 -3.34 103.07 93.28 1sf2 h GLY 18 Ca 0.00 -0.27 -0.55 0.00 0.00 0.00 0.00 47.33 46.51 1sf2 h GLY 18 CO 0.00 0.09 0.98 0.14 0.00 0.00 0.00 176.54 177.74 1sf2 s VAL 19 N -5.61 3.94 0.91 4.60 1.01 -1.03 -5.00 120.40 119.22 1sf2 s VAL 19 Ca -0.09 0.68 -0.12 0.00 0.00 0.00 0.00 61.98 62.45 1sf2 s VAL 19 Cb 0.22 -4.78 0.14 0.00 0.00 0.00 0.00 36.38 31.95 1sf2 s VAL 19 CO 0.78 -1.51 1.10 -0.83 0.00 0.00 0.00 175.10 174.64 1sf2 s GLY 20 N 3.23 1.60 -0.26 4.51 0.00 -1.25 -4.96 107.32 110.18 1sf2 s GLY 20 Ca 0.39 -0.18 -0.03 0.00 0.00 0.00 0.00 44.72 44.90 1sf2 s GLY 20 CO 0.21 0.34 0.10 1.62 0.00 0.00 0.00 173.10 175.37 1sf2 s GLN 21 N -4.99 0.43 0.06 2.90 2.00 -1.26 -5.02 119.66 113.78 1sf2 s GLN 21 Ca 0.64 -0.62 -0.28 0.00 -2.00 0.00 0.00 55.36 53.09 1sf2 s GLN 21 Cb -0.18 -1.68 -0.17 0.00 0.80 0.00 0.00 33.01 31.79 1sf2 s GLN 21 CO 0.57 -0.89 1.55 0.82 -0.50 0.00 0.00 175.29 176.83 1sf2 h ILE 22 N 6.46 0.62 -3.29 -2.34 1.08 -2.00 -3.40 117.51 114.64 1sf2 h ILE 22 Ca -0.17 -0.17 -0.66 0.00 -0.39 0.00 0.00 64.86 63.47 1sf2 h ILE 22 Cb 1.05 0.71 -0.31 0.00 -3.07 0.00 0.00 36.82 35.20 1sf2 h ILE 22 CO 0.41 0.03 -0.78 -1.00 -0.69 0.00 0.00 178.15 176.13 1sf2 s HIS 23 N -5.71 2.90 -0.71 1.37 3.76 -1.26 -5.01 115.29 110.64 1sf2 s HIS 23 Ca -0.15 -1.27 -0.07 0.00 -0.15 0.00 0.00 55.06 53.41 1sf2 s HIS 23 Cb 0.04 -2.03 -0.15 0.00 1.11 0.00 0.00 32.58 31.55 1sf2 s HIS 23 CO 0.61 -0.67 2.90 -0.35 -0.85 0.00 0.00 174.74 176.38 1sf2 n PRO 24 N 4.72 2.43 -4.64 8.40 -0.04 -1.26 -4.80 135.00 139.80 1sf2 n PRO 24 Ca -0.19 -1.40 -0.23 0.00 -0.04 0.00 0.00 63.50 61.64 1sf2 n PRO 24 Cb 0.50 -2.31 -0.15 0.00 -0.04 0.00 0.00 33.50 31.50 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 1.98 1.12 -0.37 0.52 1.01 -1.26 -4.74 121.20 119.46 1sf2 s ILE 25 Ca 0.58 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 1sf2 s ILE 25 Cb 0.21 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.75 1sf2 s ILE 25 CO -0.03 0.33 0.21 -0.36 0.00 0.00 0.00 174.94 175.08 1sf2 s PHE 26 N -0.10 3.24 0.33 3.97 0.40 -1.26 -5.07 117.98 119.48 1sf2 s PHE 26 Ca 0.01 -0.90 -0.27 0.00 -0.60 0.00 0.00 56.93 55.17 1sf2 s PHE 26 Cb -0.08 -2.44 -0.09 0.00 0.51 0.00 0.00 43.02 40.92 1sf2 s PHE 26 CO 0.00 -0.62 1.08 0.00 0.70 0.00 0.00 175.22 176.38 1sf2 s ALA 27 N 1.57 3.27 -0.17 5.36 0.00 -1.26 -0.92 121.76 129.61 1sf2 s ALA 27 Ca 0.02 0.82 -0.00 0.00 0.00 0.00 0.00 51.96 52.80 1sf2 s ALA 27 Cb -0.19 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 1sf2 s ALA 27 CO 0.07 -0.19 -0.16 -3.47 0.00 0.00 0.00 175.76 172.01 1sf2 n ASP 28 N 0.65 2.50 -3.80 0.00 2.03 0.11 -4.73 116.55 113.31 1sf2 n ASP 28 Ca 0.02 -0.04 -0.09 0.00 0.52 0.00 0.00 54.79 55.19 1sf2 n ASP 28 Cb 0.47 -0.30 -0.03 0.00 -0.72 0.00 0.00 41.12 40.53 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 -2.33 1.51 0.18 -0.67 1.70 -1.13 -5.03 118.95 113.18 1sf2 s ARG 29 Ca -0.23 -0.94 -0.22 0.00 -0.47 0.00 0.00 55.73 53.88 1sf2 s ARG 29 Cb 0.06 0.54 0.05 0.00 -0.57 0.00 0.00 34.95 35.04 1sf2 s ARG 29 CO 0.37 -0.66 0.60 0.00 -1.08 0.00 0.00 175.30 174.54 1sf2 s ALA 30 N -3.90 -1.42 -0.23 7.88 0.00 -1.26 -1.16 121.76 121.65 1sf2 s ALA 30 Ca 0.11 0.24 -0.09 0.00 0.00 0.00 0.00 51.96 52.22 1sf2 s ALA 30 Cb -0.02 0.87 0.10 0.00 0.00 0.00 0.00 23.12 24.06 1sf2 s ALA 30 CO 0.01 -0.82 0.52 -2.00 0.00 0.00 0.00 175.76 173.47 1sf2 s GLU 31 N -3.80 0.45 3.33 0.00 2.12 0.23 -4.73 118.70 116.31 1sf2 s GLU 31 Ca 0.04 1.16 0.00 0.00 0.36 0.00 0.00 54.97 56.52 1sf2 s GLU 31 Cb -0.02 0.44 0.00 0.00 0.26 0.00 0.00 34.13 34.81 1sf2 s GLU 31 CO -0.08 -0.21 0.00 -1.71 -0.54 0.00 0.00 175.26 172.71 1sf2 n ASN 32 N 5.16 0.00 -0.99 -1.70 4.05 0.12 -0.38 115.26 121.52 1sf2 n ASN 32 Ca -0.13 0.00 0.09 0.00 0.45 0.00 0.00 54.58 54.99 1sf2 n ASN 32 Cb 0.51 0.00 0.23 0.00 1.23 0.00 0.00 39.78 41.75 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 -1.05 2.83 -0.02 0.00 0.52 0.49 -1.14 118.95 120.58 1sf2 s ARG 34 Ca 0.35 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 1sf2 s ARG 34 Cb 0.19 -2.67 0.01 0.00 0.52 0.00 0.00 34.95 33.00 1sf2 s ARG 34 CO 0.25 0.67 -0.05 0.08 0.02 0.00 0.00 175.30 176.27 1sf2 s VAL 35 N -0.87 0.45 -0.08 3.52 1.01 -0.75 -0.60 120.40 123.08 1sf2 s VAL 35 Ca 0.14 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.97 1sf2 s VAL 35 Cb -0.11 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 1sf2 s VAL 35 CO 0.03 0.16 -0.19 0.26 0.00 0.00 0.00 175.10 175.35 1sf2 s TRP 36 N 0.25 2.61 0.52 5.22 0.51 -0.31 0.29 118.94 128.02 1sf2 s TRP 36 Ca -0.03 -0.62 -0.04 0.00 -2.12 0.00 0.00 56.10 53.30 1sf2 s TRP 36 Cb -0.07 -1.68 0.11 0.00 -0.81 0.00 0.00 33.47 31.02 1sf2 s TRP 36 CO -0.00 -0.15 0.71 -0.40 -0.51 0.00 0.00 176.95 176.60 1sf2 n ASP 37 N 3.02 0.57 0.02 2.95 5.68 -0.60 0.08 116.55 128.28 1sf2 n ASP 37 Ca -0.18 -1.57 0.05 0.00 -0.50 0.00 0.00 54.79 52.59 1sf2 n ASP 37 Cb 0.52 -0.49 0.21 0.00 -1.14 0.00 0.00 41.12 40.21 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 -2.62 1.41 0.92 2.12 0.24 -0.09 -1.31 118.33 119.00 1sf2 n VAL 38 Ca 0.10 0.38 0.12 0.00 -2.04 0.00 0.00 64.34 62.90 1sf2 n VAL 38 Cb 0.37 -1.26 0.10 0.00 -1.47 0.00 0.00 33.84 31.59 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 -1.59 2.24 -0.57 7.34 1.02 -1.26 -4.73 120.64 123.09 1sf2 n GLU 39 Ca 0.02 -1.91 0.00 0.00 -0.02 0.00 0.00 57.16 55.25 1sf2 n GLU 39 Cb 0.09 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 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 1.32 0.94 3.74 0.62 0.00 -0.42 -5.03 105.19 106.35 1sf2 n GLY 40 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.36 4.45 -0.08 1.61 3.52 -1.26 -4.72 118.95 122.11 1sf2 s ARG 41 Ca 0.00 1.96 -0.12 0.00 -0.13 0.00 0.00 55.73 57.44 1sf2 s ARG 41 Cb 0.00 -3.21 -0.05 0.00 -1.56 0.00 0.00 34.95 30.13 1sf2 s ARG 41 CO 0.00 -0.15 0.29 -2.00 -0.81 0.00 0.00 175.30 172.63 1sf2 s GLU 42 N -0.27 3.84 0.14 5.12 2.12 -1.26 -1.55 118.70 126.85 1sf2 s GLU 42 Ca 0.54 0.14 0.07 0.00 0.36 0.00 0.00 54.97 56.08 1sf2 s GLU 42 Cb -0.34 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 1sf2 s GLU 42 CO 0.38 0.60 -0.15 0.71 -0.54 0.00 0.00 175.26 176.26 1sf2 s TYR 43 N -0.66 1.53 -0.26 5.30 1.51 0.14 -4.79 117.35 120.12 1sf2 s TYR 43 Ca 0.19 -0.55 -0.10 0.00 -1.01 0.00 0.00 57.07 55.59 1sf2 s TYR 43 Cb -0.14 -0.78 -0.05 0.00 -0.11 0.00 0.00 41.96 40.89 1sf2 s TYR 43 CO 0.08 0.21 0.16 -1.17 -1.11 0.00 0.00 175.55 173.72 1sf2 s LEU 44 N -2.67 3.95 -0.50 -1.29 2.96 0.95 -1.81 118.68 120.27 1sf2 s LEU 44 Ca 0.13 -0.01 -0.24 0.00 -0.22 0.00 0.00 54.13 53.78 1sf2 s LEU 44 Cb -0.04 -2.08 0.03 0.00 0.50 0.00 0.00 46.19 44.60 1sf2 s LEU 44 CO 0.04 -0.02 0.88 -0.62 -1.32 0.00 0.00 176.35 175.32 1sf2 s ASP 45 N 1.56 6.40 -0.02 3.68 -1.08 -0.29 -1.29 116.67 125.64 1sf2 s ASP 45 Ca 0.07 -0.18 0.14 0.00 -0.52 0.00 0.00 52.55 52.05 1sf2 s ASP 45 Cb -0.15 -2.42 0.41 0.00 -1.46 0.00 0.00 42.92 39.29 1sf2 s ASP 45 CO 0.08 -1.08 1.34 0.49 0.52 0.00 0.00 175.17 176.52 1sf2 n PHE 46 N 7.14 0.65 -0.06 -5.34 3.01 -0.62 -4.27 117.46 117.96 1sf2 n PHE 46 Ca 0.03 -0.53 -0.06 0.00 1.01 0.00 0.00 57.45 57.90 1sf2 n PHE 46 Cb 0.48 -0.05 -0.09 0.00 -0.01 0.00 0.00 39.48 39.80 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 0.69 1.71 -3.73 4.37 0.00 -1.18 -0.44 120.51 121.93 1sf2 n ALA 47 Ca 0.15 -0.77 -0.25 0.00 0.00 0.00 0.00 53.44 52.58 1sf2 n ALA 47 Cb 0.52 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.02 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 2.29 -0.43 2.42 0.00 0.00 -1.20 -1.32 105.19 106.94 1sf2 n GLY 48 Ca -0.19 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.66 -0.43 2.27 -0.02 0.00 -1.26 -1.06 105.19 103.04 1sf2 n GLY 49 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.53 -5.32 -1.81 -0.61 5.41 -0.43 -4.08 119.36 108.99 1sf2 n ILE 50 Ca -0.18 -0.24 -0.20 0.00 1.00 0.00 0.00 62.75 63.13 1sf2 n ILE 50 Cb 0.63 -5.05 -0.06 0.00 -0.71 0.00 0.00 39.64 34.44 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 -1.60 -0.39 0.28 -1.39 0.00 -0.99 -4.86 120.51 111.57 1sf2 n ALA 51 Ca -0.01 0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.82 1sf2 n ALA 51 Cb 0.51 -2.05 -0.07 0.00 0.00 0.00 0.00 19.45 17.85 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 -2.86 0.18 -2.57 0.00 0.31 -0.22 -2.62 118.33 110.54 1sf2 n VAL 52 Ca -0.21 -0.39 -0.30 0.00 -0.01 0.00 0.00 64.34 63.43 1sf2 n VAL 52 Cb 0.67 0.08 -0.01 0.00 -0.91 0.00 0.00 33.84 33.68 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 -2.19 5.26 0.26 7.52 4.77 -0.99 -3.56 117.00 128.06 1sf2 n LEU 53 Ca -0.01 -5.34 0.12 0.00 -0.03 0.00 0.00 56.01 50.75 1sf2 n LEU 53 Cb 0.50 -0.64 0.70 0.00 -2.33 0.00 0.00 43.42 41.66 1sf2 n LEU 53 CO 0.43 2.20 0.97 0.78 -1.33 0.00 0.00 177.39 180.44 1sf2 h ASN 54 N 2.91 0.00 -0.59 -1.43 2.35 -1.86 -0.34 115.58 116.61 1sf2 h ASN 54 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1sf2 h ASN 54 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1sf2 h ASN 54 CO 0.95 0.12 0.00 0.35 -1.65 0.00 0.00 177.43 177.20 1sf2 n THR 55 N -3.77 0.80 0.00 2.81 -2.24 -1.26 -0.81 114.28 109.81 1sf2 n THR 55 Ca -0.02 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1sf2 n THR 55 Cb 0.23 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 1.43 -2.05 3.73 3.38 0.00 -0.14 -4.35 105.19 107.20 1sf2 n GLY 56 Ca 0.20 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.61 3.15 -1.43 1.61 3.76 0.21 -3.68 115.29 116.30 1sf2 s HIS 57 Ca 0.00 1.04 -0.05 0.00 -0.15 0.00 0.00 55.06 55.90 1sf2 s HIS 57 Cb 0.00 -3.73 0.00 0.00 1.11 0.00 0.00 32.58 29.96 1sf2 s HIS 57 CO 0.00 -2.42 0.30 1.28 -0.85 0.00 0.00 174.74 173.05 1sf2 n LEU 58 N 2.88 -1.56 -4.68 0.89 4.77 -1.26 -0.71 117.00 117.34 1sf2 n LEU 58 Ca 0.08 -1.15 -0.48 0.00 -0.03 0.00 0.00 56.01 54.43 1sf2 n LEU 58 Cb 0.41 -1.92 -0.05 0.00 -2.33 0.00 0.00 43.42 39.54 1sf2 n LEU 58 CO 0.59 0.49 1.36 1.57 -1.33 0.00 0.00 177.39 180.07 1sf2 n HIS 59 N -4.53 2.27 -0.32 -1.77 -0.00 -1.24 -4.76 115.22 104.87 1sf2 n HIS 59 Ca -0.28 0.13 0.15 0.00 -0.00 0.00 0.00 57.72 57.72 1sf2 n HIS 59 Cb 0.67 -2.60 0.34 0.00 -0.00 0.00 0.00 29.99 28.40 1sf2 n HIS 59 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1sf2 h PRO 60 N 7.84 0.44 -0.35 1.57 0.13 -1.92 0.15 132.00 139.86 1sf2 h PRO 60 Ca -0.47 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 1sf2 h PRO 60 Cb 1.27 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1sf2 h PRO 60 CO 0.92 0.29 0.04 0.87 -0.23 0.00 0.00 178.00 179.89 1sf2 h LYS 61 N 0.46 0.59 -0.50 0.86 1.79 -1.98 -1.23 116.57 116.56 1sf2 h LYS 61 Ca 0.60 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.88 1sf2 h LYS 61 Cb 1.15 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.71 1sf2 h LYS 61 CO -0.52 0.69 0.26 0.28 -1.08 0.00 0.00 179.45 179.08 1sf2 h VAL 62 N 0.42 1.18 -0.43 0.50 2.07 -1.43 -1.95 116.25 116.62 1sf2 h VAL 62 Ca 0.10 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1sf2 h VAL 62 Cb 0.39 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1sf2 h VAL 62 CO 0.01 0.20 0.11 0.58 0.02 0.00 0.00 177.57 178.49 1sf2 h VAL 63 N 0.66 1.23 -0.85 2.57 2.07 -0.70 -1.63 116.25 119.60 1sf2 h VAL 63 Ca 0.17 -0.79 0.05 0.00 0.82 0.00 0.00 66.70 66.96 1sf2 h VAL 63 Cb 0.08 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1sf2 h VAL 63 CO -0.03 0.28 0.53 0.00 0.02 0.00 0.00 177.57 178.37 1sf2 h ALA 64 N 0.97 1.14 -0.14 1.67 0.00 -1.04 0.12 119.26 121.97 1sf2 h ALA 64 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1sf2 h ALA 64 Cb 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1sf2 h ALA 64 CO 0.00 0.31 0.08 0.00 0.00 0.00 0.00 179.25 179.64 1sf2 h ALA 65 N 1.38 0.18 -0.86 0.00 0.00 -1.11 -2.20 119.26 116.66 1sf2 h ALA 65 Ca 0.36 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.27 1sf2 h ALA 65 Cb 0.10 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 1sf2 h ALA 65 CO -0.15 -0.29 0.54 0.28 0.00 0.00 0.00 179.25 179.63 1sf2 h VAL 66 N 0.14 1.07 -0.68 0.00 2.07 -0.51 -2.44 116.25 115.89 1sf2 h VAL 66 Ca 0.05 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1sf2 h VAL 66 Cb 0.06 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.79 1sf2 h VAL 66 CO -0.01 0.18 0.15 -0.33 0.02 0.00 0.00 177.57 177.58 1sf2 h GLU 67 N 1.00 1.08 -0.35 1.57 5.08 -0.50 -0.91 114.58 121.55 1sf2 h GLU 67 Ca 0.37 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1sf2 h GLU 67 Cb 0.13 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1sf2 h GLU 67 CO -0.16 0.97 0.20 0.00 -1.00 0.00 0.00 179.01 179.02 1sf2 h ALA 68 N 1.13 0.45 -0.22 3.43 0.00 -0.99 -2.42 119.26 120.64 1sf2 h ALA 68 Ca 0.21 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1sf2 h ALA 68 Cb 0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1sf2 h ALA 68 CO 0.00 -0.04 -0.27 0.37 0.00 0.00 0.00 179.25 179.31 1sf2 h GLN 69 N 0.45 0.41 0.00 0.00 5.75 -1.31 -1.67 115.11 118.75 1sf2 h GLN 69 Ca 0.12 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1sf2 h GLN 69 Cb 0.03 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 1sf2 h GLN 69 CO -0.02 0.65 -0.02 1.25 -2.65 0.00 0.00 178.83 178.04 1sf2 h LEU 70 N 0.37 0.00 0.00 -2.39 5.85 -0.69 0.18 115.31 118.63 1sf2 h LEU 70 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1sf2 h LEU 70 Cb 0.67 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1sf2 h LEU 70 CO 0.05 0.02 -0.08 0.11 -0.34 0.00 0.00 178.44 178.20 1sf2 h LYS 71 N 0.00 0.00 0.00 1.25 1.79 -0.95 -3.39 116.57 115.27 1sf2 h LYS 71 Ca -0.00 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1sf2 h LYS 71 Cb 0.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1sf2 h LYS 71 CO 0.00 0.00 -1.22 1.63 -1.08 0.00 0.00 179.45 178.79 1sf2 n LYS 72 N -2.69 0.53 -3.61 3.15 5.02 0.55 -5.09 118.16 116.01 1sf2 n LYS 72 Ca 0.04 0.27 -0.05 0.00 -2.02 0.00 0.00 58.31 56.55 1sf2 n LYS 72 Cb 0.49 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.98 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 -7.88 -0.16 -0.00 -0.35 0.05 -0.59 -5.06 118.68 104.70 1sf2 s LEU 73 Ca -0.29 0.14 0.06 0.00 0.05 0.00 0.00 54.13 54.09 1sf2 s LEU 73 Cb 0.06 1.38 -0.08 0.00 -2.05 0.00 0.00 46.19 45.50 1sf2 s LEU 73 CO 0.42 -0.16 0.18 -1.54 -0.55 0.00 0.00 176.35 174.69 1sf2 n SER 74 N 0.47 2.07 -3.59 1.48 3.41 -1.26 -4.56 113.62 111.64 1sf2 n SER 74 Ca -0.03 -0.30 -0.11 0.00 -0.26 0.00 0.00 58.87 58.17 1sf2 n SER 74 Cb 0.58 1.14 -0.06 0.00 -0.26 0.00 0.00 64.21 65.61 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 -1.99 -0.47 0.00 7.33 5.65 -1.26 -3.96 115.29 120.60 1sf2 s HIS 75 Ca -0.00 0.95 0.00 0.00 0.25 0.00 0.00 55.06 56.26 1sf2 s HIS 75 Cb 0.04 0.40 0.00 0.00 -1.18 0.00 0.00 32.58 31.84 1sf2 s HIS 75 CO 0.23 -0.34 0.00 0.25 -0.65 0.00 0.00 174.74 174.23 1sf2 n THR 76 N 1.37 0.00 -1.68 0.89 -2.24 -1.26 -5.09 114.28 106.27 1sf2 n THR 76 Ca -0.12 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.65 1sf2 n THR 76 Cb 0.57 0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.85 0.32 -0.25 0.00 3.57 -1.80 0.16 116.94 119.79 1sf2 h PHE 78 Ca -0.11 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.52 1sf2 h PHE 78 Cb 0.25 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1sf2 h PHE 78 CO 0.00 -0.39 0.20 1.96 -2.23 0.00 0.00 178.31 177.85 1sf2 h GLN 79 N 0.06 0.00 0.00 1.11 4.20 -1.91 -3.08 115.11 115.50 1sf2 h GLN 79 Ca 0.67 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.38 1sf2 h GLN 79 Cb 1.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.29 1sf2 h GLN 79 CO -0.81 0.00 -0.24 0.28 -0.67 0.00 0.00 178.83 177.39 1sf2 h VAL 80 N 0.00 0.00 -3.25 -0.54 2.07 -0.94 -3.46 116.25 110.13 1sf2 h VAL 80 Ca 0.12 -0.64 -0.59 0.00 0.82 0.00 0.00 66.70 66.41 1sf2 h VAL 80 Cb 0.52 0.00 -0.35 0.00 -1.52 0.00 0.00 31.29 29.94 1sf2 h VAL 80 CO -0.00 0.00 -0.84 -0.76 0.02 0.00 0.00 177.57 175.99 1sf2 s LEU 81 N -6.89 1.75 0.99 2.57 1.02 -1.00 -5.10 118.68 112.02 1sf2 s LEU 81 Ca -0.07 -0.45 -0.16 0.00 0.02 0.00 0.00 54.13 53.47 1sf2 s LEU 81 Cb 0.01 -1.13 0.21 0.00 0.02 0.00 0.00 46.19 45.30 1sf2 s LEU 81 CO 0.10 0.02 1.30 0.00 0.02 0.00 0.00 176.35 177.79 1sf2 s ALA 82 N 1.01 2.06 -0.07 4.21 0.00 -1.17 -3.81 121.76 124.00 1sf2 s ALA 82 Ca -0.06 -1.17 -0.30 0.00 0.00 0.00 0.00 51.96 50.43 1sf2 s ALA 82 Cb -0.15 -2.79 0.09 0.00 0.00 0.00 0.00 23.12 20.27 1sf2 s ALA 82 CO -0.02 -2.56 0.79 1.52 0.00 0.00 0.00 175.76 175.49 1sf2 s TYR 83 N -3.79 -0.54 0.22 0.00 -0.85 -1.26 -4.99 117.35 106.14 1sf2 s TYR 83 Ca 0.74 0.85 -0.09 0.00 -0.52 0.00 0.00 57.07 58.04 1sf2 s TYR 83 Cb -0.05 0.44 0.18 0.00 0.38 0.00 0.00 41.96 42.92 1sf2 s TYR 83 CO 0.53 -0.54 1.89 0.93 -1.52 0.00 0.00 175.55 176.85 1sf2 h GLU 84 N 2.72 1.08 -0.95 -3.49 5.08 -2.00 -3.14 114.58 113.89 1sf2 h GLU 84 Ca -0.24 -0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.15 1sf2 h GLU 84 Cb 1.17 -0.24 -0.07 0.00 0.50 0.00 0.00 28.75 30.10 1sf2 h GLU 84 CO 0.36 0.72 0.61 -1.35 -1.00 0.00 0.00 179.01 178.34 1sf2 h PRO 85 N 1.12 0.93 0.95 2.33 0.11 -1.97 0.22 132.00 135.67 1sf2 h PRO 85 Ca 0.30 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.31 1sf2 h PRO 85 Cb -0.13 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 30.78 1sf2 h PRO 85 CO -0.07 0.61 -0.45 -0.92 -0.21 0.00 0.00 178.00 176.96 1sf2 h TYR 86 N 0.96 -1.18 -0.47 0.65 -0.00 -1.86 -1.62 116.97 113.46 1sf2 h TYR 86 Ca 0.45 -0.03 0.09 0.00 -0.00 0.00 0.00 58.73 59.24 1sf2 h TYR 86 Cb 0.42 0.39 -0.09 0.00 -0.00 0.00 0.00 36.73 37.45 1sf2 h TYR 86 CO -0.00 -0.73 -0.12 1.25 -0.00 0.00 0.00 178.16 178.55 1sf2 h LEU 87 N -1.28 -0.45 -0.60 2.82 5.85 -1.44 -1.68 115.31 118.54 1sf2 h LEU 87 Ca -0.13 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1sf2 h LEU 87 Cb 0.97 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 1sf2 h LEU 87 CO 0.21 -0.16 0.38 -0.08 -0.34 0.00 0.00 178.44 178.46 1sf2 h GLU 88 N -0.01 0.75 -0.61 1.25 4.81 -0.56 -1.89 114.58 118.33 1sf2 h GLU 88 Ca 0.22 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1sf2 h GLU 88 Cb 0.35 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1sf2 h GLU 88 CO -0.48 0.49 0.07 1.25 -0.73 0.00 0.00 179.01 179.61 1sf2 h LEU 89 N 0.77 1.00 -0.57 1.64 5.85 -0.76 -1.70 115.31 121.54 1sf2 h LEU 89 Ca 0.23 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.72 1sf2 h LEU 89 Cb -0.04 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.68 1sf2 h LEU 89 CO -0.07 1.02 0.30 0.00 -0.34 0.00 0.00 178.44 179.35 1sf2 h GLU 91 N 0.58 0.73 -0.66 0.00 5.08 -1.09 0.15 114.58 119.38 1sf2 h GLU 91 Ca 0.25 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1sf2 h GLU 91 Cb 0.14 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1sf2 h GLU 91 CO -0.16 0.60 0.19 0.82 -1.00 0.00 0.00 179.01 179.46 1sf2 h ILE 92 N 0.69 1.25 -0.35 3.13 1.08 -0.63 -2.56 117.51 120.12 1sf2 h ILE 92 Ca 0.18 -0.89 -0.07 0.00 -0.39 0.00 0.00 64.86 63.68 1sf2 h ILE 92 Cb 0.10 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.41 1sf2 h ILE 92 CO -0.02 0.34 -0.09 0.24 -0.69 0.00 0.00 178.15 177.93 1sf2 h MET 93 N 0.97 0.60 -0.11 2.37 2.86 0.08 -1.05 114.93 120.64 1sf2 h MET 93 Ca 0.21 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1sf2 h MET 93 Cb 0.32 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1sf2 h MET 93 CO -0.00 0.68 0.03 -0.91 1.06 0.00 0.00 176.91 177.77 1sf2 h ASN 94 N 0.55 0.14 0.31 1.22 -0.26 -0.58 -2.06 115.58 114.89 1sf2 h ASN 94 Ca 0.10 -0.01 -0.33 0.00 -0.56 0.00 0.00 56.30 55.51 1sf2 h ASN 94 Cb 0.48 -0.03 0.01 0.00 -1.06 0.00 0.00 38.32 37.72 1sf2 h ASN 94 CO 0.03 0.14 -1.60 1.56 -1.06 0.00 0.00 177.43 176.50 1sf2 h GLN 95 N 0.16 0.38 0.06 0.81 4.20 -1.04 -3.40 115.11 116.28 1sf2 h GLN 95 Ca 0.04 -0.65 -0.24 0.00 0.06 0.00 0.00 58.65 57.86 1sf2 h GLN 95 Cb 0.06 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1sf2 h GLN 95 CO -0.00 1.28 -1.08 0.87 -0.67 0.00 0.00 178.83 179.23 1sf2 h LYS 96 N 0.10 0.21 -6.45 1.46 1.79 -0.92 -3.45 116.57 109.31 1sf2 h LYS 96 Ca -0.28 -0.30 -0.54 0.00 -2.18 0.00 0.00 60.65 57.34 1sf2 h LYS 96 Cb 2.09 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.84 1sf2 h LYS 96 CO 0.20 1.10 0.64 0.08 -1.08 0.00 0.00 179.45 180.39 1sf2 s VAL 97 N -2.86 3.92 0.28 0.50 1.01 -0.80 -4.86 120.40 117.59 1sf2 s VAL 97 Ca -0.03 1.35 -0.29 0.00 0.00 0.00 0.00 61.98 63.01 1sf2 s VAL 97 Cb 0.09 -3.87 -0.14 0.00 0.00 0.00 0.00 36.38 32.46 1sf2 s VAL 97 CO 0.86 0.07 1.13 -0.81 0.00 0.00 0.00 175.10 176.35 1sf2 n PRO 98 N 4.31 1.56 0.00 2.72 -0.04 -1.26 -4.93 135.00 137.35 1sf2 n PRO 98 Ca 0.10 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1sf2 n PRO 98 Cb 0.45 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 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 1.37 3.57 0.16 0.55 0.00 -1.26 -4.59 105.19 105.00 1sf2 n GLY 99 Ca 0.10 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 45.97 1sf2 n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sf2 n ASP 100 N 0.00 0.62 -4.95 1.61 5.68 -1.26 -4.85 116.55 113.40 1sf2 n ASP 100 Ca 0.00 -0.73 -0.22 0.00 -0.50 0.00 0.00 54.79 53.34 1sf2 n ASP 100 Cb 0.00 -0.03 0.04 0.00 -1.14 0.00 0.00 41.12 39.99 1sf2 n ASP 100 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1sf2 s PHE 101 N -2.40 2.79 0.25 2.11 -0.12 -1.26 -5.05 117.98 114.29 1sf2 s PHE 101 Ca 0.30 0.02 -0.30 0.00 -0.05 0.00 0.00 56.93 56.91 1sf2 s PHE 101 Cb 0.20 -2.82 -0.09 0.00 -0.63 0.00 0.00 43.02 39.68 1sf2 s PHE 101 CO 0.46 -0.99 1.13 0.00 -0.05 0.00 0.00 175.22 175.78 1sf2 s ALA 102 N -2.84 3.41 0.29 1.99 0.00 -1.26 -4.96 121.76 118.39 1sf2 s ALA 102 Ca 0.58 0.92 0.10 0.00 0.00 0.00 0.00 51.96 53.56 1sf2 s ALA 102 Cb -0.10 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 1sf2 s ALA 102 CO 0.39 -0.24 -0.15 0.15 0.00 0.00 0.00 175.76 175.92 1sf2 s LYS 103 N -1.08 1.67 0.07 0.00 1.02 -1.26 -0.50 119.74 119.66 1sf2 s LYS 103 Ca 0.47 -1.80 0.05 0.00 0.02 0.00 0.00 55.97 54.71 1sf2 s LYS 103 Cb -0.32 -1.60 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 1sf2 s LYS 103 CO 0.40 0.22 -0.14 0.15 -0.92 0.00 0.00 175.35 175.06 1sf2 s LYS 104 N -3.58 0.84 -0.04 1.68 1.02 -0.23 -4.69 119.74 114.75 1sf2 s LYS 104 Ca 0.30 -0.93 0.06 0.00 0.02 0.00 0.00 55.97 55.42 1sf2 s LYS 104 Cb -0.01 -0.85 -0.01 0.00 -0.52 0.00 0.00 37.83 36.44 1sf2 s LYS 104 CO 0.14 0.19 -0.22 0.99 -0.92 0.00 0.00 175.35 175.54 1sf2 s THR 105 N -1.22 1.75 -0.09 2.17 2.01 -1.26 -1.96 115.64 117.04 1sf2 s THR 105 Ca -0.01 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1sf2 s THR 105 Cb -0.10 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 1sf2 s THR 105 CO 0.02 0.49 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.13 1sf2 s LEU 106 N -0.27 2.97 -0.13 4.42 2.96 0.83 -4.94 118.68 124.52 1sf2 s LEU 106 Ca 0.02 -0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 53.76 1sf2 s LEU 106 Cb -0.11 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 1sf2 s LEU 106 CO 0.01 0.28 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.49 1sf2 s LEU 107 N -0.35 3.07 0.00 -0.68 1.43 -1.26 -0.85 118.68 120.04 1sf2 s LEU 107 Ca 0.04 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1sf2 s LEU 107 Cb -0.12 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.39 1sf2 s LEU 107 CO 0.02 0.21 0.00 1.33 0.23 0.00 0.00 176.35 178.15 1sf2 n VAL 108 N 3.21 0.00 0.00 -1.59 0.24 -0.19 -3.90 118.33 116.11 1sf2 n VAL 108 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1sf2 n VAL 108 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 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 -4.43 3.34 -1.04 -1.26 -2.13 114.28 108.76 1sf2 n THR 109 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 1sf2 n THR 109 Cb 0.00 -0.40 -0.11 0.00 -1.82 0.00 0.00 70.33 68.01 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 -1.75 2.49 0.33 12.58 -4.23 -1.26 -2.18 115.64 121.62 1sf2 s THR 110 Ca 0.00 -2.17 0.07 0.00 -1.18 0.00 0.00 61.69 58.41 1sf2 s THR 110 Cb 0.00 -2.25 0.31 0.00 1.34 0.00 0.00 72.50 71.90 1sf2 s THR 110 CO 0.00 -0.24 1.84 1.23 -0.54 0.00 0.00 174.62 176.90 1sf2 h GLY 111 N 2.75 1.45 1.00 3.99 0.00 -1.87 -0.24 103.07 110.15 1sf2 h GLY 111 Ca -0.44 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1sf2 h GLY 111 CO 0.54 0.07 0.39 1.76 0.00 0.00 0.00 176.54 179.30 1sf2 h SER 112 N 0.78 0.71 -0.65 0.19 0.02 -1.96 -1.78 113.55 110.85 1sf2 h SER 112 Ca 0.50 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.39 1sf2 h SER 112 Cb 0.73 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 1sf2 h SER 112 CO -0.26 0.53 0.32 -0.33 -1.14 0.00 0.00 176.83 175.94 1sf2 h GLU 113 N 0.82 0.93 -0.04 3.45 5.08 -1.44 -0.28 114.58 123.11 1sf2 h GLU 113 Ca 0.22 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1sf2 h GLU 113 Cb -0.08 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1sf2 h GLU 113 CO -0.05 0.73 -0.01 0.00 -1.00 0.00 0.00 179.01 178.69 1sf2 h ALA 114 N 1.14 0.03 -0.29 3.43 0.00 -0.82 0.20 119.26 122.95 1sf2 h ALA 114 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1sf2 h ALA 114 Cb 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sf2 h ALA 114 CO -0.03 -0.49 0.16 0.28 0.00 0.00 0.00 179.25 179.16 1sf2 h VAL 115 N 0.00 1.13 -0.46 0.00 2.07 -1.18 0.21 116.25 118.03 1sf2 h VAL 115 Ca 0.02 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.28 1sf2 h VAL 115 Cb 0.02 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 1sf2 h VAL 115 CO -0.03 0.13 -0.05 -0.33 0.02 0.00 0.00 177.57 177.30 1sf2 h GLU 116 N 0.35 0.05 -0.10 1.57 4.39 -0.59 -1.76 114.58 118.50 1sf2 h GLU 116 Ca 0.10 -0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.67 1sf2 h GLU 116 Cb 0.07 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1sf2 h GLU 116 CO -0.02 0.04 -0.49 -0.91 -1.16 0.00 0.00 179.01 176.47 1sf2 h ASN 117 N 0.06 0.29 -0.44 1.42 2.35 -0.12 -2.09 115.58 117.04 1sf2 h ASN 117 Ca 0.23 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1sf2 h ASN 117 Cb 0.34 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1sf2 h ASN 117 CO -0.43 0.74 0.28 0.00 -1.65 0.00 0.00 177.43 176.37 1sf2 h ALA 118 N 1.27 0.56 -0.23 -0.83 0.00 0.04 -1.24 119.26 118.83 1sf2 h ALA 118 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1sf2 h ALA 118 Cb 0.95 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1sf2 h ALA 118 CO 0.08 0.02 0.06 0.28 0.00 0.00 0.00 179.25 179.69 1sf2 h VAL 119 N 0.59 1.21 -0.59 0.00 2.07 -1.20 -0.93 116.25 117.40 1sf2 h VAL 119 Ca 0.16 -0.68 0.10 0.00 0.82 0.00 0.00 66.70 67.10 1sf2 h VAL 119 Cb -0.05 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.86 1sf2 h VAL 119 CO -0.03 0.22 0.16 0.11 0.02 0.00 0.00 177.57 178.05 1sf2 h LYS 120 N 0.20 0.30 -0.31 1.57 1.57 -1.13 -0.29 116.57 118.48 1sf2 h LYS 120 Ca 0.07 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1sf2 h LYS 120 Cb 0.28 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1sf2 h LYS 120 CO 0.00 0.20 0.15 0.82 -0.57 0.00 0.00 179.45 180.05 1sf2 h ILE 121 N 0.31 1.15 -0.08 1.86 2.04 -0.97 -0.99 117.51 120.83 1sf2 h ILE 121 Ca 0.30 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1sf2 h ILE 121 Cb 0.42 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1sf2 h ILE 121 CO -0.36 0.16 -0.11 0.00 0.00 0.00 0.00 178.15 177.84 1sf2 h ALA 122 N 1.01 1.67 -0.19 1.87 0.00 -0.42 -0.64 119.26 122.55 1sf2 h ALA 122 Ca 0.11 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1sf2 h ALA 122 Cb 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1sf2 h ALA 122 CO -0.01 0.25 -0.43 0.00 0.00 0.00 0.00 179.25 179.06 1sf2 h ARG 123 N 0.12 0.63 -0.39 0.00 3.08 -0.60 -1.37 114.38 115.86 1sf2 h ARG 123 Ca 0.03 -0.42 -0.09 0.00 0.07 0.00 0.00 59.98 59.56 1sf2 h ARG 123 Cb 0.27 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1sf2 h ARG 123 CO 0.02 1.04 -0.15 0.00 -1.07 0.00 0.00 179.97 179.81 1sf2 h ALA 124 N 0.59 1.02 -0.21 0.04 0.00 -0.86 0.47 119.26 120.31 1sf2 h ALA 124 Ca 0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.38 1sf2 h ALA 124 Cb 1.03 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1sf2 h ALA 124 CO 0.09 0.59 -0.68 0.00 0.00 0.00 0.00 179.25 179.25 1sf2 h ALA 125 N 1.20 0.39 0.00 0.00 0.00 -1.07 -3.29 119.26 116.49 1sf2 h ALA 125 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1sf2 h ALA 125 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1sf2 h ALA 125 CO 0.04 0.69 -1.26 0.25 0.00 0.00 0.00 179.25 178.97 1sf2 n THR 126 N -3.96 0.08 -3.55 0.00 -2.24 -0.52 -4.98 114.28 99.10 1sf2 n THR 126 Ca -0.06 -0.23 -0.21 0.00 -2.27 0.00 0.00 64.05 61.28 1sf2 n THR 126 Cb 0.70 0.39 0.08 0.00 -2.10 0.00 0.00 70.33 69.40 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 -1.90 -6.80 -4.20 -0.78 5.02 0.16 -5.01 118.16 104.65 1sf2 n LYS 127 Ca 0.01 0.80 -0.12 0.00 -2.02 0.00 0.00 58.31 56.97 1sf2 n LYS 127 Cb 0.44 -5.77 -0.10 0.00 -0.02 0.00 0.00 35.03 29.58 1sf2 n LYS 127 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1sf2 s ARG 128 N -5.84 0.93 -0.07 1.97 0.52 -1.15 -5.04 118.95 110.26 1sf2 s ARG 128 Ca 0.24 -1.36 0.11 0.00 -0.52 0.00 0.00 55.73 54.20 1sf2 s ARG 128 Cb -0.11 -0.42 -0.16 0.00 0.52 0.00 0.00 34.95 34.78 1sf2 s ARG 128 CO 0.75 0.03 0.13 0.43 0.02 0.00 0.00 175.30 176.66 1sf2 n SER 129 N -0.04 2.25 -4.89 0.23 7.64 -1.24 -4.47 113.62 113.11 1sf2 n SER 129 Ca -0.12 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.47 1sf2 n SER 129 Cb 0.60 1.10 0.00 0.00 -1.01 0.00 0.00 64.21 64.90 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 -3.96 1.61 0.04 0.23 0.00 0.46 -4.82 107.32 100.88 1sf2 s GLY 130 Ca -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 44.72 44.38 1sf2 s GLY 130 CO 0.47 -0.06 -0.00 -0.51 0.00 0.00 0.00 173.10 173.00 1sf2 s THR 131 N -2.93 0.17 -0.05 0.90 -4.23 -1.13 0.41 115.64 108.79 1sf2 s THR 131 Ca 0.51 -1.36 0.06 0.00 -1.18 0.00 0.00 61.69 59.72 1sf2 s THR 131 Cb -0.11 -0.97 -0.01 0.00 1.34 0.00 0.00 72.50 72.75 1sf2 s THR 131 CO 0.48 -0.75 -0.24 -0.63 -0.54 0.00 0.00 174.62 172.94 1sf2 s ILE 132 N -2.84 1.97 0.22 2.99 1.01 0.22 -1.39 121.20 123.38 1sf2 s ILE 132 Ca -0.03 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.61 1sf2 s ILE 132 Cb 0.00 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 1sf2 s ILE 132 CO -0.06 0.55 0.03 0.00 0.00 0.00 0.00 174.94 175.46 1sf2 s ALA 133 N -0.26 1.61 0.24 9.38 0.00 -0.31 -0.25 121.76 132.18 1sf2 s ALA 133 Ca 0.00 -1.74 0.07 0.00 0.00 0.00 0.00 51.96 50.29 1sf2 s ALA 133 Cb -0.12 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 1sf2 s ALA 133 CO 0.02 -0.35 0.22 -0.06 0.00 0.00 0.00 175.76 175.59 1sf2 s PHE 134 N -3.62 3.16 0.32 0.00 0.40 -1.26 -0.35 117.98 116.64 1sf2 s PHE 134 Ca 0.30 -0.09 -0.29 0.00 -0.60 0.00 0.00 56.93 56.25 1sf2 s PHE 134 Cb 0.07 -1.43 -0.11 0.00 0.51 0.00 0.00 43.02 42.06 1sf2 s PHE 134 CO 0.09 0.51 1.48 -1.54 0.70 0.00 0.00 175.22 176.46 1sf2 s SER 135 N -3.82 6.47 0.00 1.36 1.04 0.03 -1.86 113.70 116.92 1sf2 s SER 135 Ca 0.33 2.90 0.00 0.00 0.48 0.00 0.00 55.95 59.66 1sf2 s SER 135 Cb -0.08 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1sf2 s SER 135 CO 0.25 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1sf2 n GLY 136 N 1.31 0.48 3.83 7.32 0.00 -1.16 -4.40 105.19 112.56 1sf2 n GLY 136 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.15 2.87 -0.05 4.61 0.00 -0.78 -3.44 121.76 122.82 1sf2 s ALA 137 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 51.96 52.16 1sf2 s ALA 137 Cb 0.00 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.98 1sf2 s ALA 137 CO 0.00 -0.72 -0.01 -0.47 0.00 0.00 0.00 175.76 174.55 1sf2 s TYR 138 N -2.73 0.62 0.00 0.00 5.04 -1.26 0.02 117.35 119.04 1sf2 s TYR 138 Ca 0.60 -0.14 0.00 0.00 -2.44 0.00 0.00 57.07 55.09 1sf2 s TYR 138 Cb -0.13 -0.68 0.00 0.00 0.35 0.00 0.00 41.96 41.50 1sf2 s TYR 138 CO 0.42 -0.24 0.31 0.72 -1.34 0.00 0.00 175.55 175.41 1sf2 n HIS 139 N 4.60 0.00 0.00 4.97 8.25 -1.26 -4.96 115.22 126.82 1sf2 n HIS 139 Ca -0.16 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1sf2 n HIS 139 Cb 0.50 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 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 -0.05 2.85 1.08 -1.41 0.00 -1.26 -4.39 105.19 102.02 1sf2 n GLY 140 Ca 0.00 -1.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.55 2.10 -2.98 1.61 1.74 -1.26 -3.19 116.66 113.13 1sf2 n ARG 141 Ca 0.00 -3.08 -0.26 0.00 -0.77 0.00 0.00 57.85 53.74 1sf2 n ARG 141 Cb 0.00 -1.82 -0.01 0.00 -1.02 0.00 0.00 32.46 29.61 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 -3.13 4.99 0.18 0.55 -4.23 -1.26 -4.83 115.64 107.90 1sf2 s THR 142 Ca 0.44 -0.05 -0.23 0.00 -1.18 0.00 0.00 61.69 60.67 1sf2 s THR 142 Cb 0.39 -3.85 0.08 0.00 1.34 0.00 0.00 72.50 70.46 1sf2 s THR 142 CO 0.02 -0.69 1.58 0.45 -0.54 0.00 0.00 174.62 175.44 1sf2 h HIS 143 N 0.56 -1.08 -0.82 3.99 3.86 -1.99 0.24 115.15 119.92 1sf2 h HIS 143 Ca -0.48 0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 58.76 1sf2 h HIS 143 Cb 1.21 0.55 -0.04 0.00 1.06 0.00 0.00 27.41 30.19 1sf2 h HIS 143 CO 0.56 -0.40 0.35 -0.92 0.86 0.00 0.00 177.93 178.37 1sf2 h TYR 144 N -0.20 1.21 0.00 2.45 3.20 -1.96 -1.91 116.97 119.76 1sf2 h TYR 144 Ca 0.20 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 1sf2 h TYR 144 Cb 0.56 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1sf2 h TYR 144 CO -0.66 0.90 -0.27 1.79 -1.64 0.00 0.00 178.16 178.28 1sf2 h THR 145 N 1.18 0.62 -0.21 1.81 1.35 -1.61 -1.89 112.91 114.17 1sf2 h THR 145 Ca 0.28 -1.31 -0.14 0.00 -0.55 0.00 0.00 66.41 64.69 1sf2 h THR 145 Cb 0.18 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1sf2 h THR 145 CO -0.03 0.27 -0.44 -0.07 -0.25 0.00 0.00 175.52 175.00 1sf2 h LEU 146 N 0.00 0.55 -0.74 3.87 3.38 0.04 0.30 115.31 122.72 1sf2 h LEU 146 Ca -0.00 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.60 1sf2 h LEU 146 Cb 0.86 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1sf2 h LEU 146 CO 0.04 0.92 -0.27 0.00 0.09 0.00 0.00 178.44 179.21 1sf2 h ALA 147 N 1.10 0.91 -0.14 1.53 0.00 -0.88 -2.86 119.26 118.92 1sf2 h ALA 147 Ca 0.03 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 1sf2 h ALA 147 Cb 0.94 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1sf2 h ALA 147 CO 0.08 0.62 -0.63 -0.07 0.00 0.00 0.00 179.25 179.25 1sf2 h LEU 148 N 0.58 0.58 -9.62 0.00 3.38 -0.96 -3.43 115.31 105.84 1sf2 h LEU 148 Ca 0.07 -0.34 -0.52 0.00 0.09 0.00 0.00 57.88 57.18 1sf2 h LEU 148 Cb 0.76 -0.17 0.05 0.00 0.09 0.00 0.00 40.66 41.39 1sf2 h LEU 148 CO 0.06 1.07 0.91 -0.89 0.09 0.00 0.00 178.44 179.68 1sf2 s THR 149 N -3.84 2.47 -1.20 0.22 2.01 0.10 -4.62 115.64 110.78 1sf2 s THR 149 Ca -0.07 0.34 -0.09 0.00 0.31 0.00 0.00 61.69 62.18 1sf2 s THR 149 Cb 0.11 -3.22 0.22 0.00 0.01 0.00 0.00 72.50 69.62 1sf2 s THR 149 CO 0.84 0.03 1.63 0.61 -0.69 0.00 0.00 174.62 177.04 1sf2 n GLY 150 N 3.78 4.61 3.19 4.40 0.00 0.10 -4.78 105.19 116.49 1sf2 n GLY 150 Ca 0.14 -2.28 0.04 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.46 0.06 -0.15 1.61 2.20 -1.26 -3.00 119.74 118.74 1sf2 s LYS 151 Ca 0.37 0.14 -0.13 0.00 -0.36 0.00 0.00 55.97 55.99 1sf2 s LYS 151 Cb 0.05 0.08 -0.10 0.00 -1.51 0.00 0.00 37.83 36.35 1sf2 s LYS 151 CO 0.03 -0.04 0.12 0.28 -0.36 0.00 0.00 175.35 175.38 1sf2 h VAL 152 N 5.11 0.53 -3.42 4.02 2.07 -1.93 -3.45 116.25 119.18 1sf2 h VAL 152 Ca -0.13 -1.52 -0.55 0.00 0.82 0.00 0.00 66.70 65.33 1sf2 h VAL 152 Cb 1.14 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1sf2 h VAL 152 CO -0.03 0.18 0.12 0.21 0.02 0.00 0.00 177.57 178.07 1sf2 s ASN 153 N -6.06 7.22 0.00 0.57 2.47 -1.26 -1.13 114.94 116.75 1sf2 s ASN 153 Ca -0.16 1.45 0.25 0.00 0.42 0.00 0.00 52.86 54.82 1sf2 s ASN 153 Cb 0.02 -2.45 0.41 0.00 -1.45 0.00 0.00 41.25 37.78 1sf2 s ASN 153 CO 0.34 0.12 1.35 -0.81 -3.72 0.00 0.00 177.10 174.38 1sf2 n PRO 154 N 2.30 0.80 -0.35 0.43 -0.04 -1.26 -4.94 135.00 131.93 1sf2 n PRO 154 Ca -0.05 -0.56 0.25 0.00 -0.04 0.00 0.00 63.50 63.10 1sf2 n PRO 154 Cb 0.50 -1.49 0.50 0.00 -0.04 0.00 0.00 33.50 32.97 1sf2 n PRO 154 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1sf2 h TYR 155 N 1.37 0.79 -0.01 0.54 0.99 -1.79 -2.84 116.97 116.01 1sf2 h TYR 155 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1sf2 h TYR 155 Cb 0.58 -0.22 0.00 0.00 1.00 0.00 0.00 36.73 38.10 1sf2 h TYR 155 CO 0.00 -0.06 0.00 0.43 -0.00 0.00 0.00 178.16 178.53 1sf2 n SER 156 N -4.82 1.64 -4.58 3.88 7.64 -0.28 -5.00 113.62 112.10 1sf2 n SER 156 Ca 0.30 -1.33 -0.52 0.00 1.01 0.00 0.00 58.87 58.33 1sf2 n SER 156 Cb 0.99 -0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 64.13 1sf2 n SER 156 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sf2 n ALA 157 N 0.41 -1.26 0.00 -0.43 0.00 -1.07 -0.81 120.51 117.34 1sf2 n ALA 157 Ca 0.04 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1sf2 n ALA 157 Cb 0.19 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1sf2 n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sf2 n GLY 158 N 2.34 1.87 0.09 0.00 0.00 -1.26 -4.80 105.19 103.43 1sf2 n GLY 158 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 1sf2 n GLY 158 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1sf2 h MET 159 N 1.20 0.00 0.00 1.61 2.07 -1.36 -3.50 114.93 114.94 1sf2 h MET 159 Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1sf2 h MET 159 Cb 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.73 1sf2 h MET 159 CO 0.00 0.79 0.00 0.41 1.07 0.00 0.00 176.91 179.18 1sf2 n GLY 160 N 1.32 -2.79 3.74 8.32 0.00 -1.24 -4.98 105.19 109.55 1sf2 n GLY 160 Ca -0.00 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 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 4.47 0.96 0.99 1.43 -1.26 -4.94 118.68 120.32 1sf2 s LEU 161 Ca 0.00 2.21 -0.14 0.00 -1.03 0.00 0.00 54.13 55.17 1sf2 s LEU 161 Cb 0.00 -3.61 0.17 0.00 0.03 0.00 0.00 46.19 42.78 1sf2 s LEU 161 CO 0.00 -0.32 1.20 -0.04 0.23 0.00 0.00 176.35 177.42 1sf2 s MET 162 N -0.40 0.75 0.15 1.70 -1.94 -1.26 -4.96 119.30 113.34 1sf2 s MET 162 Ca 0.51 -0.01 -0.34 0.00 -1.71 0.00 0.00 55.69 54.14 1sf2 s MET 162 Cb -0.32 -1.82 -0.16 0.00 2.01 0.00 0.00 34.83 34.54 1sf2 s MET 162 CO 0.37 -2.40 1.24 -2.30 -0.01 0.00 0.00 175.02 171.92 1sf2 n PRO 163 N -3.85 1.25 0.00 2.03 -0.02 -1.26 -4.99 135.00 128.15 1sf2 n PRO 163 Ca 0.10 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1sf2 n PRO 163 Cb 0.60 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 2.22 -1.64 3.77 -1.23 0.00 -1.26 -4.56 105.19 102.49 1sf2 n GLY 164 Ca 0.16 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.49 -2.46 -3.94 1.61 8.25 -1.26 -4.98 115.22 110.94 1sf2 n HIS 165 Ca 0.00 0.94 -0.25 0.00 -0.26 0.00 0.00 57.72 58.15 1sf2 n HIS 165 Cb 0.00 -4.43 -0.17 0.00 1.12 0.00 0.00 29.99 26.51 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 -3.35 0.80 0.02 1.59 1.01 -1.26 -2.82 120.40 116.39 1sf2 s VAL 166 Ca 0.54 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.40 1sf2 s VAL 166 Cb -0.26 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1sf2 s VAL 166 CO 0.79 0.32 -0.09 -0.31 0.00 0.00 0.00 175.10 175.81 1sf2 s TYR 167 N 1.63 2.82 -0.26 5.22 1.51 -0.49 -4.99 117.35 122.79 1sf2 s TYR 167 Ca 0.02 -0.09 -0.13 0.00 -1.01 0.00 0.00 57.07 55.86 1sf2 s TYR 167 Cb -0.13 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 1sf2 s TYR 167 CO -0.06 0.35 0.29 0.50 -1.11 0.00 0.00 175.55 175.53 1sf2 s ARG 168 N -1.46 4.02 0.28 -0.62 6.06 -1.26 -1.16 118.95 124.82 1sf2 s ARG 168 Ca 0.17 -0.09 0.08 0.00 -2.50 0.00 0.00 55.73 53.39 1sf2 s ARG 168 Cb -0.11 -3.63 -0.04 0.00 0.06 0.00 0.00 34.95 31.24 1sf2 s ARG 168 CO 0.07 -0.17 0.10 0.00 -2.50 0.00 0.00 175.30 172.81 1sf2 s ALA 169 N 1.74 3.40 -0.16 6.12 0.00 0.53 -4.95 121.76 128.44 1sf2 s ALA 169 Ca 0.12 -1.62 -0.21 0.00 0.00 0.00 0.00 51.96 50.25 1sf2 s ALA 169 Cb -0.15 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 1sf2 s ALA 169 CO 0.09 0.20 0.61 -0.51 0.00 0.00 0.00 175.76 176.15 1sf2 s LEU 170 N -3.78 4.20 0.12 0.00 1.43 -1.26 -0.79 118.68 118.61 1sf2 s LEU 170 Ca 0.34 0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 54.03 1sf2 s LEU 170 Cb -0.06 -2.88 -0.07 0.00 0.03 0.00 0.00 46.19 43.21 1sf2 s LEU 170 CO 0.22 -0.19 1.15 -0.47 0.23 0.00 0.00 176.35 177.29 1sf2 s TYR 171 N 1.45 3.51 0.21 0.29 5.04 -1.26 -4.35 117.35 122.23 1sf2 s TYR 171 Ca 0.30 1.47 -0.31 0.00 -2.44 0.00 0.00 57.07 56.08 1sf2 s TYR 171 Cb -0.16 -3.34 -0.11 0.00 0.35 0.00 0.00 41.96 38.70 1sf2 s TYR 171 CO 0.12 -0.92 1.60 -1.25 -1.34 0.00 0.00 175.55 173.76 1sf2 s PRO 172 N 0.26 4.18 -0.45 4.97 0.04 -1.26 -4.90 135.00 137.85 1sf2 s PRO 172 Ca 0.54 2.45 0.04 0.00 0.04 0.00 0.00 61.00 64.06 1sf2 s PRO 172 Cb -0.29 -3.11 0.19 0.00 0.04 0.00 0.00 34.50 31.33 1sf2 s PRO 172 CO 0.33 -0.62 0.79 0.00 0.04 0.00 0.00 177.00 177.53 1sf2 h PRO 174 N 5.36 0.29 -0.95 0.00 0.11 -1.82 -0.33 132.00 134.66 1sf2 h PRO 174 Ca 0.04 -0.02 0.28 0.00 0.11 0.00 0.00 66.00 66.41 1sf2 h PRO 174 Cb 1.15 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1sf2 h PRO 174 CO 0.00 0.19 0.91 1.25 -0.21 0.00 0.00 178.00 180.15 1sf2 h LEU 175 N 0.30 0.00 -3.31 2.35 5.85 -1.96 0.29 115.31 118.82 1sf2 h LEU 175 Ca 0.35 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.87 1sf2 h LEU 175 Cb 0.52 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.38 1sf2 h LEU 175 CO -0.41 0.00 -0.65 1.41 -0.34 0.00 0.00 178.44 178.45 1sf2 n HIS 176 N -3.64 0.92 -0.91 1.25 8.25 -0.20 -4.99 115.22 115.90 1sf2 n HIS 176 Ca 0.21 -1.70 0.00 0.00 -0.26 0.00 0.00 57.72 55.97 1sf2 n HIS 176 Cb 1.22 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 32.06 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 -0.88 0.40 3.40 -1.41 0.00 0.10 -4.99 105.19 101.81 1sf2 n GLY 177 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.02 5.01 0.79 -0.61 -1.09 -0.78 -4.93 121.20 117.56 1sf2 s ILE 178 Ca 0.00 -0.90 -0.11 0.00 -2.23 0.00 0.00 60.65 57.41 1sf2 s ILE 178 Cb 0.00 -3.88 0.07 0.00 -1.58 0.00 0.00 42.46 37.07 1sf2 s ILE 178 CO 0.00 -0.40 1.14 -0.94 -1.23 0.00 0.00 174.94 173.52 1sf2 s SER 179 N 1.98 4.59 0.27 3.58 1.04 -1.26 0.25 113.70 124.15 1sf2 s SER 179 Ca 0.04 0.73 0.02 0.00 0.48 0.00 0.00 55.95 57.22 1sf2 s SER 179 Cb -0.21 -1.26 0.38 0.00 0.10 0.00 0.00 66.02 65.03 1sf2 s SER 179 CO 0.08 -1.83 1.69 -0.33 0.98 0.00 0.00 173.24 173.83 1sf2 h GLU 180 N -0.96 0.46 -0.52 4.02 5.08 -1.97 -1.51 114.58 119.18 1sf2 h GLU 180 Ca -0.46 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 57.64 1sf2 h GLU 180 Cb 1.33 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1sf2 h GLU 180 CO 0.65 0.72 0.02 -0.44 -1.00 0.00 0.00 179.01 178.96 1sf2 h ASP 181 N 0.40 0.84 -0.15 1.42 3.45 -1.99 -1.02 116.42 119.37 1sf2 h ASP 181 Ca 0.05 -0.20 -0.01 0.00 0.43 0.00 0.00 57.03 57.29 1sf2 h ASP 181 Cb 0.74 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.28 1sf2 h ASP 181 CO 0.06 0.89 0.05 0.44 -1.57 0.00 0.00 179.24 179.11 1sf2 h ASP 182 N 0.81 0.22 0.05 6.45 3.32 -1.79 0.29 116.42 125.77 1sf2 h ASP 182 Ca 0.16 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.03 1sf2 h ASP 182 Cb 0.46 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1sf2 h ASP 182 CO 0.02 0.36 -0.13 0.00 -1.72 0.00 0.00 179.24 177.77 1sf2 h ALA 183 N 0.87 -0.18 -0.76 3.45 0.00 -1.05 0.30 119.26 121.90 1sf2 h ALA 183 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1sf2 h ALA 183 Cb 0.21 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1sf2 h ALA 183 CO -0.00 -0.63 0.37 0.82 0.00 0.00 0.00 179.25 179.80 1sf2 h ILE 184 N -0.24 1.24 -0.53 0.00 1.08 -1.10 -1.79 117.51 116.17 1sf2 h ILE 184 Ca 0.03 -0.68 -0.01 0.00 -0.39 0.00 0.00 64.86 63.81 1sf2 h ILE 184 Cb 0.27 0.29 -0.03 0.00 -3.07 0.00 0.00 36.82 34.28 1sf2 h ILE 184 CO -0.09 0.29 0.28 0.00 -0.69 0.00 0.00 178.15 177.94 1sf2 h ALA 185 N 1.19 1.51 0.00 1.87 0.00 0.20 -1.77 119.26 122.25 1sf2 h ALA 185 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1sf2 h ALA 185 Cb 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1sf2 h ALA 185 CO -0.03 0.41 0.00 0.66 0.00 0.00 0.00 179.25 180.29 1sf2 h SER 186 N 0.73 0.00 0.12 0.00 4.64 0.48 -1.33 113.55 118.19 1sf2 h SER 186 Ca 0.19 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.28 1sf2 h SER 186 Cb 0.03 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1sf2 h SER 186 CO -0.03 0.00 -1.12 0.40 -0.87 0.00 0.00 176.83 175.21 1sf2 h ILE 187 N 0.00 1.25 -0.70 0.95 2.04 -1.15 -3.13 117.51 116.76 1sf2 h ILE 187 Ca 0.00 -2.45 0.02 0.00 1.00 0.00 0.00 64.86 63.43 1sf2 h ILE 187 Cb 0.28 2.92 -0.04 0.00 -0.74 0.00 0.00 36.82 39.25 1sf2 h ILE 187 CO 0.00 0.69 0.46 0.45 0.00 0.00 0.00 178.15 179.76 1sf2 h HIS 188 N -0.37 0.85 -0.81 1.37 3.86 -1.34 -0.66 115.15 118.05 1sf2 h HIS 188 Ca -0.23 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.04 1sf2 h HIS 188 Cb 1.68 -0.29 -0.05 0.00 1.06 0.00 0.00 27.41 29.81 1sf2 h HIS 188 CO 0.16 0.52 0.51 -0.09 0.86 0.00 0.00 177.93 179.89 1sf2 h ARG 189 N 0.90 0.95 -0.31 2.45 2.43 -1.32 0.18 114.38 119.66 1sf2 h ARG 189 Ca 0.27 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1sf2 h ARG 189 Cb -0.03 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1sf2 h ARG 189 CO -0.07 0.63 0.09 0.82 -1.51 0.00 0.00 179.97 179.93 1sf2 h ILE 190 N 0.97 1.20 -0.89 1.20 2.04 -1.11 0.26 117.51 121.19 1sf2 h ILE 190 Ca 0.34 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.59 1sf2 h ILE 190 Cb 0.07 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 1sf2 h ILE 190 CO -0.14 0.22 0.58 -0.26 0.00 0.00 0.00 178.15 178.56 1sf2 h PHE 191 N 0.34 1.05 0.13 1.37 0.05 -0.15 -0.61 116.94 119.11 1sf2 h PHE 191 Ca 0.10 0.03 -0.28 0.00 3.82 0.00 0.00 57.97 61.63 1sf2 h PHE 191 Cb 0.25 -0.35 0.00 0.00 2.00 0.00 0.00 35.95 37.85 1sf2 h PHE 191 CO 0.01 0.58 -1.31 -0.22 -0.18 0.00 0.00 178.31 177.19 1sf2 h LYS 192 N 1.05 0.26 0.00 1.51 1.63 -0.39 -3.29 116.57 117.34 1sf2 h LYS 192 Ca 0.37 -0.45 -0.38 0.00 -0.85 0.00 0.00 60.65 59.33 1sf2 h LYS 192 Cb 0.12 0.17 -0.07 0.00 -0.60 0.00 0.00 32.23 31.85 1sf2 h LYS 192 CO -0.13 1.19 -2.45 0.09 -3.45 0.00 0.00 179.45 174.70 1sf2 n ASN 193 N -3.51 1.65 0.00 4.20 3.02 0.90 -4.89 115.26 116.63 1sf2 n ASN 193 Ca -0.10 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 1sf2 n ASN 193 Cb 1.03 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 40.04 1sf2 n ASN 193 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1sf2 n ASP 194 N -3.17 4.21 -3.37 6.41 8.00 -0.37 -5.05 116.55 123.21 1sf2 n ASP 194 Ca -0.43 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.02 1sf2 n ASP 194 Cb 1.02 0.45 -0.06 0.00 -0.02 0.00 0.00 41.12 42.51 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 -1.83 -1.55 0.80 2.24 0.00 -0.43 -5.05 121.76 115.94 1sf2 s ALA 195 Ca 0.00 1.44 -0.12 0.00 0.00 0.00 0.00 51.96 53.28 1sf2 s ALA 195 Cb 0.00 -1.77 0.08 0.00 0.00 0.00 0.00 23.12 21.43 1sf2 s ALA 195 CO 0.00 -1.16 1.16 0.00 0.00 0.00 0.00 175.76 175.76 1sf2 s ALA 196 N 2.69 1.94 0.26 0.00 0.00 -1.24 -3.58 121.76 121.83 1sf2 s ALA 196 Ca 0.11 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 1sf2 s ALA 196 Cb -0.14 -3.42 0.53 0.00 0.00 0.00 0.00 23.12 20.09 1sf2 s ALA 196 CO -0.17 -2.13 1.74 -1.35 0.00 0.00 0.00 175.76 173.85 1sf2 h PRO 197 N -1.00 0.52 0.00 0.00 0.11 -1.95 -0.18 132.00 129.51 1sf2 h PRO 197 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1sf2 h PRO 197 Cb 1.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1sf2 h PRO 197 CO 0.47 0.35 0.01 -0.85 -0.21 0.00 0.00 178.00 177.77 1sf2 n GLU 198 N -4.93 0.00 -0.03 1.05 0.00 -1.26 -0.71 120.64 114.76 1sf2 n GLU 198 Ca 0.17 0.28 0.02 0.00 0.00 0.00 0.00 57.16 57.63 1sf2 n GLU 198 Cb 0.45 -1.51 0.03 0.00 0.00 0.00 0.00 31.44 30.42 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 -1.27 1.82 -4.33 -1.84 10.43 -0.08 -4.83 116.55 116.46 1sf2 n ASP 199 Ca 0.00 -1.58 -0.39 0.00 2.57 0.00 0.00 54.79 55.39 1sf2 n ASP 199 Cb 0.01 -0.04 -0.12 0.00 1.84 0.00 0.00 41.12 42.81 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 -0.66 4.14 0.09 0.53 -1.09 0.11 -0.40 121.20 123.92 1sf2 s ILE 200 Ca 0.06 -0.95 -0.14 0.00 -2.23 0.00 0.00 60.65 57.40 1sf2 s ILE 200 Cb 0.04 -3.30 -0.19 0.00 -1.58 0.00 0.00 42.46 37.43 1sf2 s ILE 200 CO 0.05 -0.16 1.25 0.00 -1.23 0.00 0.00 174.94 174.85 1sf2 h ALA 201 N 8.31 0.22 -2.85 9.38 0.00 -0.30 -3.43 119.26 130.59 1sf2 h ALA 201 Ca -0.25 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 53.98 1sf2 h ALA 201 Cb 1.10 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.79 1sf2 h ALA 201 CO 0.63 0.67 0.02 0.00 0.00 0.00 0.00 179.25 180.57 1sf2 s ALA 202 N -3.55 -1.05 -0.20 0.00 0.00 -1.22 -1.30 121.76 114.44 1sf2 s ALA 202 Ca -0.10 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.84 1sf2 s ALA 202 Cb 0.08 0.80 0.04 0.00 0.00 0.00 0.00 23.12 24.03 1sf2 s ALA 202 CO 0.91 -0.74 -0.15 0.42 0.00 0.00 0.00 175.76 176.20 1sf2 s ILE 203 N -3.83 1.98 -0.19 0.00 1.01 -0.42 -0.61 121.20 119.14 1sf2 s ILE 203 Ca 0.06 -1.14 -0.11 0.00 0.00 0.00 0.00 60.65 59.46 1sf2 s ILE 203 Cb 0.00 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 1sf2 s ILE 203 CO -0.08 0.30 0.16 -0.69 0.00 0.00 0.00 174.94 174.63 1sf2 s VAL 204 N 1.27 5.39 -0.12 2.92 1.01 0.66 -1.01 120.40 130.51 1sf2 s VAL 204 Ca -0.00 0.25 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 1sf2 s VAL 204 Cb -0.16 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.76 1sf2 s VAL 204 CO -0.10 0.43 0.36 -0.51 0.00 0.00 0.00 175.10 175.28 1sf2 s ILE 205 N 0.41 0.01 -0.20 2.22 2.07 0.01 -4.14 121.20 121.58 1sf2 s ILE 205 Ca 0.09 -0.06 -0.21 0.00 -1.41 0.00 0.00 60.65 59.07 1sf2 s ILE 205 Cb -0.11 -0.52 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 1sf2 s ILE 205 CO -0.01 -0.03 0.63 -1.61 -1.91 0.00 0.00 174.94 172.01 1sf2 s GLU 206 N -0.01 4.21 0.51 3.50 2.02 -1.26 -0.89 118.70 126.78 1sf2 s GLU 206 Ca -0.02 0.61 0.18 0.00 0.02 0.00 0.00 54.97 55.77 1sf2 s GLU 206 Cb -0.03 -3.58 1.26 0.00 0.10 0.00 0.00 34.13 31.89 1sf2 s GLU 206 CO 0.01 -0.24 2.08 -1.35 0.02 0.00 0.00 175.26 175.78 1sf2 h PRO 207 N 7.49 0.07 -2.93 0.39 0.11 -1.94 -3.35 132.00 131.84 1sf2 h PRO 207 Ca -0.31 -0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.36 1sf2 h PRO 207 Cb 1.14 -0.02 -0.40 0.00 0.11 0.00 0.00 31.00 31.84 1sf2 h PRO 207 CO 0.77 0.05 -0.72 0.08 -0.21 0.00 0.00 178.00 177.97 1sf2 s VAL 208 N -5.11 -0.14 0.22 3.15 1.01 -1.26 -1.23 120.40 117.03 1sf2 s VAL 208 Ca -0.05 -0.15 -0.31 0.00 0.00 0.00 0.00 61.98 61.47 1sf2 s VAL 208 Cb 0.18 -0.59 -0.10 0.00 0.00 0.00 0.00 36.38 35.86 1sf2 s VAL 208 CO 0.70 -0.26 1.53 -1.10 0.00 0.00 0.00 175.10 175.96 1sf2 s GLN 209 N 2.18 4.22 0.00 2.72 -0.21 -0.24 -4.62 119.66 123.71 1sf2 s GLN 209 Ca 0.03 2.38 0.00 0.00 0.02 0.00 0.00 55.36 57.79 1sf2 s GLN 209 Cb -0.16 -3.11 0.00 0.00 1.00 0.00 0.00 33.01 30.74 1sf2 s GLN 209 CO -0.10 -0.54 0.00 0.41 -2.12 0.00 0.00 175.29 172.94 1sf2 n GLY 210 N 2.91 0.99 0.32 3.09 0.00 -1.26 0.03 105.19 111.27 1sf2 n GLY 210 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 0.22 0.00 1.61 4.39 -1.93 -1.37 114.58 117.51 1sf2 h GLU 211 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1sf2 h GLU 211 Cb 0.00 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1sf2 h GLU 211 CO 0.00 0.15 0.00 0.41 -1.16 0.00 0.00 179.01 178.41 1sf2 n GLY 212 N -1.54 -0.33 0.00 -3.84 0.00 -1.22 0.36 105.19 98.61 1sf2 n GLY 212 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.61 1.53 3.48 -0.02 0.00 -0.52 -4.12 105.19 104.92 1sf2 n GLY 213 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.70 -2.16 -4.10 1.61 3.01 0.10 -4.86 117.46 110.36 1sf2 n PHE 214 Ca 0.00 0.83 -0.35 0.00 1.01 0.00 0.00 57.45 58.95 1sf2 n PHE 214 Cb 0.00 -4.42 -0.11 0.00 -0.01 0.00 0.00 39.48 34.94 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 -3.47 3.14 -0.10 1.38 4.12 -1.18 -4.83 117.35 116.42 1sf2 s TYR 215 Ca 0.19 -0.14 -0.06 0.00 0.02 0.00 0.00 57.07 57.09 1sf2 s TYR 215 Cb -0.04 -2.06 -0.04 0.00 -1.52 0.00 0.00 41.96 38.30 1sf2 s TYR 215 CO 0.77 0.00 0.13 0.00 0.02 0.00 0.00 175.55 176.47 1sf2 s ALA 216 N 0.58 3.81 0.48 3.71 0.00 -1.26 -1.08 121.76 128.00 1sf2 s ALA 216 Ca 0.01 -0.68 -0.20 0.00 0.00 0.00 0.00 51.96 51.10 1sf2 s ALA 216 Cb -0.13 -1.89 -0.09 0.00 0.00 0.00 0.00 23.12 21.00 1sf2 s ALA 216 CO 0.02 0.63 0.99 0.45 0.00 0.00 0.00 175.76 177.85 1sf2 s SER 217 N -1.13 6.60 0.29 0.00 0.15 -0.37 -4.99 113.70 114.25 1sf2 s SER 217 Ca 0.16 1.76 -0.02 0.00 0.70 0.00 0.00 55.95 58.55 1sf2 s SER 217 Cb -0.12 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 1sf2 s SER 217 CO 0.06 -0.60 0.51 -0.94 1.20 0.00 0.00 173.24 173.46 1sf2 s SER 218 N -2.31 6.37 0.20 5.45 1.04 -1.26 -4.96 113.70 118.23 1sf2 s SER 218 Ca 0.63 0.53 -0.11 0.00 0.48 0.00 0.00 55.95 57.49 1sf2 s SER 218 Cb -0.12 -2.07 0.20 0.00 0.10 0.00 0.00 66.02 64.14 1sf2 s SER 218 CO 0.20 -0.20 1.79 -0.65 0.98 0.00 0.00 173.24 175.37 1sf2 h PRO 219 N 1.40 0.57 -0.37 4.02 0.11 -1.83 -0.73 132.00 135.17 1sf2 h PRO 219 Ca -0.49 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.67 1sf2 h PRO 219 Cb 1.20 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 1sf2 h PRO 219 CO 0.65 0.38 -0.12 0.00 -0.21 0.00 0.00 178.00 178.70 1sf2 h ALA 220 N 1.32 0.21 -0.25 -0.75 0.00 -1.94 0.16 119.26 118.02 1sf2 h ALA 220 Ca 0.27 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1sf2 h ALA 220 Cb 0.18 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1sf2 h ALA 220 CO -0.18 -0.48 0.15 0.35 0.00 0.00 0.00 179.25 179.09 1sf2 h PHE 221 N -0.03 0.33 -0.33 0.00 3.57 -1.75 -1.82 116.94 116.91 1sf2 h PHE 221 Ca 0.18 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1sf2 h PHE 221 Cb 0.31 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1sf2 h PHE 221 CO -0.35 0.26 0.14 1.98 -2.23 0.00 0.00 178.31 178.11 1sf2 h MET 222 N 0.31 0.46 -0.55 1.11 4.05 -0.40 0.29 114.93 120.20 1sf2 h MET 222 Ca 0.09 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.34 1sf2 h MET 222 Cb 0.03 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.72 1sf2 h MET 222 CO -0.02 0.38 -0.10 1.96 0.23 0.00 0.00 176.91 179.37 1sf2 h GLN 223 N 0.47 1.04 -0.61 0.39 4.20 -0.30 0.13 115.11 120.44 1sf2 h GLN 223 Ca 0.12 -0.38 -0.07 0.00 0.06 0.00 0.00 58.65 58.37 1sf2 h GLN 223 Cb 0.08 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1sf2 h GLN 223 CO -0.01 1.08 0.10 0.00 -0.67 0.00 0.00 178.83 179.32 1sf2 h ARG 224 N 0.92 1.00 -0.51 1.46 3.08 -0.41 -1.06 114.38 118.87 1sf2 h ARG 224 Ca 0.14 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1sf2 h ARG 224 Cb 0.67 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1sf2 h ARG 224 CO 0.05 0.94 0.21 1.25 -1.07 0.00 0.00 179.97 181.35 1sf2 h LEU 225 N 0.91 0.70 -0.24 3.04 5.85 -0.68 -0.62 115.31 124.27 1sf2 h LEU 225 Ca 0.18 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1sf2 h LEU 225 Cb 0.43 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1sf2 h LEU 225 CO 0.01 0.68 0.14 -0.09 -0.34 0.00 0.00 178.44 178.84 1sf2 h ARG 226 N 0.68 0.28 -0.73 1.25 9.65 -0.45 -0.61 114.38 124.45 1sf2 h ARG 226 Ca 0.17 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.02 1sf2 h ARG 226 Cb 0.19 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 1sf2 h ARG 226 CO -0.01 0.18 0.40 0.00 2.80 0.00 0.00 179.97 183.34 1sf2 h ALA 227 N 1.11 0.94 -0.28 2.80 0.00 -0.99 0.24 119.26 123.07 1sf2 h ALA 227 Ca 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sf2 h ALA 227 Cb -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1sf2 h ALA 227 CO -0.05 0.45 0.17 1.25 0.00 0.00 0.00 179.25 181.08 1sf2 h LEU 228 N 1.01 0.33 -0.46 0.00 6.46 -0.72 -0.79 115.31 121.15 1sf2 h LEU 228 Ca 0.26 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.94 1sf2 h LEU 228 Cb 0.04 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 1sf2 h LEU 228 CO -0.04 0.29 0.17 0.00 -0.62 0.00 0.00 178.44 178.23 1sf2 h ASP 230 N 0.60 0.35 0.08 0.00 3.32 -0.58 -0.69 116.42 119.50 1sf2 h ASP 230 Ca 0.15 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1sf2 h ASP 230 Cb 0.22 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1sf2 h ASP 230 CO -0.01 0.20 -0.08 -0.08 -1.72 0.00 0.00 179.24 177.56 1sf2 h GLU 231 N 0.51 0.00 -0.29 3.56 4.81 -0.97 -3.08 114.58 119.11 1sf2 h GLU 231 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1sf2 h GLU 231 Cb 0.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1sf2 h GLU 231 CO -0.28 0.08 0.00 0.72 -0.73 0.00 0.00 179.01 178.80 1sf2 n HIS 232 N -4.44 0.47 -1.87 0.92 8.25 -0.49 -4.96 115.22 113.10 1sf2 n HIS 232 Ca -0.03 -0.56 -0.17 0.00 -0.26 0.00 0.00 57.72 56.70 1sf2 n HIS 232 Cb 0.15 -0.07 -0.04 0.00 1.12 0.00 0.00 29.99 31.15 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 0.23 0.76 3.78 -1.41 0.00 -0.39 -4.78 105.19 103.38 1sf2 n GLY 233 Ca 0.12 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.72 4.90 -0.04 -0.61 1.01 -0.56 -4.94 121.20 118.23 1sf2 s ILE 234 Ca 0.00 1.18 -0.29 0.00 0.00 0.00 0.00 60.65 61.54 1sf2 s ILE 234 Cb 0.00 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 1sf2 s ILE 234 CO 0.00 0.46 0.97 -0.04 0.00 0.00 0.00 174.94 176.33 1sf2 s MET 235 N -0.42 4.51 -0.38 2.79 -1.94 -0.42 -4.48 119.30 118.96 1sf2 s MET 235 Ca 0.30 1.38 -0.20 0.00 -1.71 0.00 0.00 55.69 55.45 1sf2 s MET 235 Cb -0.18 -3.49 0.01 0.00 2.01 0.00 0.00 34.83 33.18 1sf2 s MET 235 CO 0.17 -0.13 0.60 -1.17 -0.01 0.00 0.00 175.02 174.48 1sf2 s LEU 236 N 1.31 4.36 -0.28 -0.03 2.96 -1.26 -1.30 118.68 124.44 1sf2 s LEU 236 Ca 0.50 -0.05 -0.10 0.00 -0.22 0.00 0.00 54.13 54.26 1sf2 s LEU 236 Cb -0.20 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 1sf2 s LEU 236 CO 0.24 -0.61 0.15 -0.63 -1.32 0.00 0.00 176.35 174.18 1sf2 s ILE 237 N 2.64 4.91 -0.42 6.68 1.01 -0.18 -0.68 121.20 135.15 1sf2 s ILE 237 Ca 0.22 -0.05 -0.15 0.00 0.00 0.00 0.00 60.65 60.67 1sf2 s ILE 237 Cb -0.15 -3.36 0.03 0.00 0.01 0.00 0.00 42.46 38.99 1sf2 s ILE 237 CO 0.15 0.23 0.33 0.00 0.00 0.00 0.00 174.94 175.65 1sf2 s ALA 238 N 1.69 3.49 -0.69 9.38 0.00 -0.01 -0.81 121.76 134.82 1sf2 s ALA 238 Ca 0.06 -1.80 -0.25 0.00 0.00 0.00 0.00 51.96 49.98 1sf2 s ALA 238 Cb -0.16 -2.94 0.05 0.00 0.00 0.00 0.00 23.12 20.07 1sf2 s ALA 238 CO 0.08 -1.52 1.13 0.34 0.00 0.00 0.00 175.76 175.79 1sf2 s ASP 239 N 1.88 6.19 -0.31 0.00 -1.08 -0.07 -1.89 116.67 121.39 1sf2 s ASP 239 Ca 0.05 -0.62 0.09 0.00 -0.52 0.00 0.00 52.55 51.54 1sf2 s ASP 239 Cb -0.20 -2.50 0.56 0.00 -1.46 0.00 0.00 42.92 39.32 1sf2 s ASP 239 CO 0.09 -1.63 1.58 -0.62 0.52 0.00 0.00 175.17 175.11 1sf2 n GLU 240 N 8.57 2.15 -0.25 4.34 1.02 -0.05 -4.31 120.64 132.09 1sf2 n GLU 240 Ca 0.01 -3.11 0.01 0.00 -0.02 0.00 0.00 57.16 54.04 1sf2 n GLU 240 Cb 0.47 -1.92 0.13 0.00 -0.02 0.00 0.00 31.44 30.11 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 1.18 0.92 0.02 2.62 2.07 -1.80 0.33 116.25 121.59 1sf2 h VAL 241 Ca 0.29 -0.24 -0.40 0.00 0.82 0.00 0.00 66.70 67.17 1sf2 h VAL 241 Cb 1.93 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 1sf2 h VAL 241 CO 0.54 0.13 -2.35 1.67 0.02 0.00 0.00 177.57 177.58 1sf2 n GLN 242 N -4.79 0.64 0.20 1.57 7.27 -1.26 -4.10 117.38 116.92 1sf2 n GLN 242 Ca 0.11 0.22 0.07 0.00 0.07 0.00 0.00 57.00 57.48 1sf2 n GLN 242 Cb 0.23 -1.55 0.41 0.00 2.41 0.00 0.00 30.24 31.73 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 -0.32 0.00 -1.97 1.69 4.64 -1.82 -3.45 113.55 112.32 1sf2 h SER 243 Ca -0.58 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.66 1sf2 h SER 243 Cb 1.81 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.94 1sf2 h SER 243 CO -0.16 0.30 0.03 0.61 -0.87 0.00 0.00 176.83 176.75 1sf2 n GLY 244 N 0.12 -2.34 3.76 -0.77 0.00 0.12 -3.72 105.19 102.35 1sf2 n GLY 244 Ca -0.00 -1.49 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.38 -1.27 -0.15 4.61 0.00 -0.56 -3.35 120.51 116.41 1sf2 n ALA 245 Ca -0.05 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1sf2 n ALA 245 Cb 0.13 -4.77 0.00 0.00 0.00 0.00 0.00 19.45 14.81 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 -1.77 1.55 0.30 0.00 0.00 0.22 -4.88 105.19 100.61 1sf2 n GLY 246 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 3.05 0.59 -0.18 1.61 9.65 -1.63 -2.42 114.38 125.04 1sf2 h ARG 247 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1sf2 h ARG 247 Cb 0.00 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.45 1sf2 h ARG 247 CO 0.00 0.39 0.00 0.25 2.80 0.00 0.00 179.97 183.41 1sf2 n THR 248 N -4.88 0.23 0.00 0.20 -2.24 -1.25 -0.08 114.28 106.25 1sf2 n THR 248 Ca 0.16 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1sf2 n THR 248 Cb 0.41 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.84 1.74 3.27 3.38 0.00 -0.91 -2.84 105.19 110.67 1sf2 n GLY 249 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.47 1.40 0.24 2.61 -4.23 -1.26 -4.70 115.64 107.23 1sf2 s THR 250 Ca 0.00 -1.93 -0.05 0.00 -1.18 0.00 0.00 61.69 58.53 1sf2 s THR 250 Cb 0.00 -1.75 0.20 0.00 1.34 0.00 0.00 72.50 72.29 1sf2 s THR 250 CO 0.00 -0.54 1.79 0.25 -0.54 0.00 0.00 174.62 175.58 1sf2 h LEU 251 N 3.09 0.57 -8.23 4.79 5.85 -1.94 -3.28 115.31 116.16 1sf2 h LEU 251 Ca -0.39 0.05 -0.54 0.00 0.84 0.00 0.00 57.88 57.85 1sf2 h LEU 251 Cb 1.20 -0.05 -0.31 0.00 0.37 0.00 0.00 40.66 41.87 1sf2 h LEU 251 CO 0.57 0.32 -0.83 -0.36 -0.34 0.00 0.00 178.44 177.80 1sf2 s PHE 252 N -6.04 1.58 0.40 1.25 0.40 -1.26 -0.61 117.98 113.71 1sf2 s PHE 252 Ca -0.12 -0.40 0.11 0.00 -0.60 0.00 0.00 56.93 55.92 1sf2 s PHE 252 Cb 0.19 -1.05 0.93 0.00 0.51 0.00 0.00 43.02 43.59 1sf2 s PHE 252 CO 0.77 -0.11 1.95 0.00 0.70 0.00 0.00 175.22 178.53 1sf2 h ALA 253 N 6.09 1.92 -0.24 5.36 0.00 -1.78 -1.66 119.26 128.94 1sf2 h ALA 253 Ca -0.34 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.63 1sf2 h ALA 253 Cb 1.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1sf2 h ALA 253 CO 0.48 -0.07 0.22 0.52 0.00 0.00 0.00 179.25 180.40 1sf2 h MET 254 N 0.53 0.00 0.00 0.00 2.86 -1.96 -0.28 114.93 116.09 1sf2 h MET 254 Ca 0.32 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1sf2 h MET 254 Cb 0.52 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 1sf2 h MET 254 CO -0.10 0.00 -0.00 0.93 1.06 0.00 0.00 176.91 178.80 1sf2 h GLU 255 N 0.00 0.00 -0.35 1.72 5.08 -1.58 -0.16 114.58 119.29 1sf2 h GLU 255 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1sf2 h GLU 255 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1sf2 h GLU 255 CO -0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1sf2 n GLN 256 N -3.38 2.44 0.01 2.33 6.02 -0.12 -4.20 117.38 120.48 1sf2 n GLN 256 Ca -0.03 -2.17 0.11 0.00 -0.01 0.00 0.00 57.00 54.90 1sf2 n GLN 256 Cb 0.08 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.72 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 1.40 0.46 -0.77 -1.09 2.81 -0.07 -4.66 117.12 115.20 1sf2 n MET 257 Ca 0.19 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1sf2 n MET 257 Cb 0.59 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 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 1.32 0.67 3.16 3.03 0.00 -1.23 -4.57 105.19 107.57 1sf2 n GLY 258 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.33 0.15 0.00 1.61 -7.23 -1.26 -5.02 120.40 106.32 1sf2 s VAL 259 Ca 0.00 -1.22 0.02 0.00 -1.81 0.00 0.00 61.98 58.97 1sf2 s VAL 259 Cb 0.00 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1sf2 s VAL 259 CO 0.00 -0.68 -0.02 0.00 -0.31 0.00 0.00 175.10 174.09 1sf2 s ALA 260 N -3.36 3.19 0.65 1.32 0.00 -1.26 -4.71 121.76 117.59 1sf2 s ALA 260 Ca 0.01 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 50.94 1sf2 s ALA 260 Cb 0.03 -1.26 0.05 0.00 0.00 0.00 0.00 23.12 21.94 1sf2 s ALA 260 CO -0.08 0.64 0.94 -1.25 0.00 0.00 0.00 175.76 176.01 1sf2 s PRO 261 N -1.54 2.38 0.07 0.00 0.04 -1.26 -5.00 135.00 129.69 1sf2 s PRO 261 Ca 0.19 -0.34 0.11 0.00 0.04 0.00 0.00 61.00 61.00 1sf2 s PRO 261 Cb -0.11 -2.26 -0.18 0.00 0.04 0.00 0.00 34.50 31.99 1sf2 s PRO 261 CO 0.10 -1.04 1.02 -0.44 0.04 0.00 0.00 177.00 176.67 1sf2 h ASP 262 N -0.39 0.00 -4.75 6.66 3.32 -1.27 -3.45 116.42 116.54 1sf2 h ASP 262 Ca -0.44 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.45 1sf2 h ASP 262 Cb 1.30 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.63 1sf2 h ASP 262 CO 0.59 0.90 -0.58 -0.76 -1.72 0.00 0.00 179.24 177.66 1sf2 s LEU 263 N -6.35 1.80 -0.03 1.55 1.43 -0.96 -1.44 118.68 114.68 1sf2 s LEU 263 Ca -0.01 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1sf2 s LEU 263 Cb 0.09 0.42 0.02 0.00 0.03 0.00 0.00 46.19 46.75 1sf2 s LEU 263 CO 0.81 -0.28 -0.01 -0.89 0.23 0.00 0.00 176.35 176.21 1sf2 s THR 264 N -1.14 0.21 -0.10 5.49 2.01 0.21 -0.83 115.64 121.49 1sf2 s THR 264 Ca -0.12 0.05 -0.04 0.00 0.31 0.00 0.00 61.69 61.89 1sf2 s THR 264 Cb -0.07 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1sf2 s THR 264 CO 0.00 0.14 0.06 0.42 -0.69 0.00 0.00 174.62 174.55 1sf2 s THR 265 N 0.91 4.80 0.05 -0.82 -4.23 -0.79 -1.23 115.64 114.32 1sf2 s THR 265 Ca -0.09 -0.06 -0.02 0.00 -1.18 0.00 0.00 61.69 60.33 1sf2 s THR 265 Cb -0.13 -3.05 -0.03 0.00 1.34 0.00 0.00 72.50 70.63 1sf2 s THR 265 CO -0.01 0.61 0.01 0.72 -0.54 0.00 0.00 174.62 175.40 1sf2 s PHE 266 N -0.90 0.43 0.00 3.99 -0.12 -0.56 -0.87 117.98 119.94 1sf2 s PHE 266 Ca 0.14 -0.92 0.00 0.00 -0.05 0.00 0.00 56.93 56.10 1sf2 s PHE 266 Cb -0.12 -0.31 0.00 0.00 -0.63 0.00 0.00 43.02 41.96 1sf2 s PHE 266 CO 0.03 -0.38 0.00 0.00 -0.05 0.00 0.00 175.22 174.82 1sf2 n ALA 267 N 0.27 0.00 0.00 1.99 0.00 -1.26 -1.23 120.51 120.28 1sf2 n ALA 267 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1sf2 n ALA 267 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 0.00 0.00 5.02 -1.26 -0.27 118.16 121.65 1sf2 n LYS 268 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 1sf2 n LYS 268 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.11 1sf2 n LYS 268 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1sf2 n SER 269 N 2.95 0.00 0.19 4.39 7.64 -1.08 -3.21 113.62 124.50 1sf2 n SER 269 Ca 0.00 0.19 0.06 0.00 1.01 0.00 0.00 58.87 60.13 1sf2 n SER 269 Cb 0.00 -0.25 0.56 0.00 -1.01 0.00 0.00 64.21 63.51 1sf2 n SER 269 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1sf2 h ILE 270 N 0.00 1.05 -0.15 0.44 6.09 -0.93 -2.87 117.51 121.15 1sf2 h ILE 270 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1sf2 h ILE 270 Cb 0.03 0.96 0.00 0.00 0.47 0.00 0.00 36.82 38.28 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 -2.52 2.09 -3.40 0.18 0.00 -1.20 -4.16 120.51 111.51 1sf2 n ALA 271 Ca -0.02 -1.05 -0.24 0.00 0.00 0.00 0.00 53.44 52.13 1sf2 n ALA 271 Cb 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.06 -0.49 0.00 0.00 0.00 -1.09 -3.40 105.19 100.16 1sf2 n GLY 272 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.29 1.79 3.03 -0.02 0.00 -1.23 -4.68 105.19 102.78 1sf2 n GLY 273 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 0.68 -0.48 1.61 0.40 -1.22 -5.09 117.98 111.89 1sf2 s PHE 274 Ca 0.00 -0.30 -0.27 0.00 -0.60 0.00 0.00 56.93 55.76 1sf2 s PHE 274 Cb 0.00 -0.42 -0.05 0.00 0.51 0.00 0.00 43.02 43.06 1sf2 s PHE 274 CO 0.00 -0.03 2.18 -2.14 0.70 0.00 0.00 175.22 175.93 1sf2 s PRO 275 N -0.89 2.48 -0.16 0.24 0.02 -1.26 -4.62 135.00 130.81 1sf2 s PRO 275 Ca -0.03 1.26 -0.27 0.00 0.02 0.00 0.00 61.00 61.99 1sf2 s PRO 275 Cb -0.06 -4.47 0.07 0.00 0.02 0.00 0.00 34.50 30.05 1sf2 s PRO 275 CO 0.00 -2.86 0.67 -1.17 -0.33 0.00 0.00 177.00 173.31 1sf2 s LEU 276 N 10.40 -0.59 0.28 -5.54 2.96 -0.92 -4.61 118.68 120.66 1sf2 s LEU 276 Ca 0.88 1.05 -0.12 0.00 -0.22 0.00 0.00 54.13 55.72 1sf2 s LEU 276 Cb -0.18 2.40 0.00 0.00 0.50 0.00 0.00 46.19 48.91 1sf2 s LEU 276 CO 0.26 -0.41 0.52 0.00 -1.32 0.00 0.00 176.35 175.40 1sf2 s ALA 277 N -0.38 -0.15 0.01 5.97 0.00 -1.15 -4.25 121.76 121.80 1sf2 s ALA 277 Ca -0.05 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 50.66 1sf2 s ALA 277 Cb -0.03 1.04 0.10 0.00 0.00 0.00 0.00 23.12 24.23 1sf2 s ALA 277 CO 0.05 -0.87 1.26 0.20 0.00 0.00 0.00 175.76 176.40 1sf2 s GLY 278 N -3.06 -0.24 -0.05 0.00 0.00 -0.37 -1.02 107.32 102.59 1sf2 s GLY 278 Ca 0.23 0.31 0.01 0.00 0.00 0.00 0.00 44.72 45.27 1sf2 s GLY 278 CO 0.11 2.62 -0.06 0.14 0.00 0.00 0.00 173.10 175.92 1sf2 s VAL 279 N -2.25 0.66 -0.11 1.40 1.01 -0.03 -1.50 120.40 119.57 1sf2 s VAL 279 Ca 0.21 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1sf2 s VAL 279 Cb 0.02 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.76 1sf2 s VAL 279 CO -0.02 0.25 -0.12 -0.89 0.00 0.00 0.00 175.10 174.33 1sf2 s THR 280 N 0.80 1.28 0.29 3.92 2.01 -0.37 -0.12 115.64 123.46 1sf2 s THR 280 Ca -0.12 -0.48 -0.12 0.00 0.31 0.00 0.00 61.69 61.28 1sf2 s THR 280 Cb -0.14 -1.22 0.05 0.00 0.01 0.00 0.00 72.50 71.19 1sf2 s THR 280 CO 0.01 0.41 0.63 0.61 -0.69 0.00 0.00 174.62 175.58 1sf2 n GLY 281 N 4.56 1.17 3.59 4.40 0.00 -0.83 -0.62 105.19 117.47 1sf2 n GLY 281 Ca -0.17 -1.19 -0.61 0.00 0.00 0.00 0.00 46.02 44.05 1sf2 n GLY 281 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sf2 n ARG 282 N -0.43 0.11 -0.18 1.61 1.74 -0.52 -1.06 116.66 117.93 1sf2 n ARG 282 Ca -0.06 0.04 -0.01 0.00 -0.77 0.00 0.00 57.85 57.05 1sf2 n ARG 282 Cb 0.46 -1.56 0.09 0.00 -1.02 0.00 0.00 32.46 30.43 1sf2 n ARG 282 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sf2 h ALA 283 N 3.85 0.64 0.00 7.54 0.00 -1.07 -0.13 119.26 130.08 1sf2 h ALA 283 Ca -0.49 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1sf2 h ALA 283 Cb 1.40 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1sf2 h ALA 283 CO 0.77 -0.31 -0.43 1.05 0.00 0.00 0.00 179.25 180.32 1sf2 h GLU 284 N 0.24 0.00 -0.17 0.00 9.09 -1.88 -0.90 114.58 120.97 1sf2 h GLU 284 Ca 0.29 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.60 1sf2 h GLU 284 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 1sf2 h GLU 284 CO -0.38 0.43 -0.29 0.28 0.05 0.00 0.00 179.01 179.10 1sf2 h VAL 285 N 0.00 1.35 -1.00 -1.06 2.07 -1.69 -3.00 116.25 112.92 1sf2 h VAL 285 Ca -0.00 -1.53 0.05 0.00 0.82 0.00 0.00 66.70 66.03 1sf2 h VAL 285 Cb 0.78 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 32.42 1sf2 h VAL 285 CO 0.06 0.46 0.65 0.24 0.02 0.00 0.00 177.57 179.00 1sf2 h MET 286 N 0.13 1.19 -0.01 1.57 2.86 -0.72 -2.09 114.93 117.87 1sf2 h MET 286 Ca 0.01 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1sf2 h MET 286 Cb 0.88 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1sf2 h MET 286 CO 0.07 0.79 0.00 -0.25 1.06 0.00 0.00 176.91 178.58 1sf2 n ASP 287 N -4.47 0.07 0.22 1.22 10.43 -0.37 -3.83 116.55 119.82 1sf2 n ASP 287 Ca 0.14 -1.43 0.07 0.00 2.57 0.00 0.00 54.79 56.14 1sf2 n ASP 287 Cb 0.12 -0.00 0.49 0.00 1.84 0.00 0.00 41.12 43.57 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 3.60 1.26 -2.50 2.24 0.00 -1.23 -3.42 119.26 119.21 1sf2 h ALA 288 Ca 0.00 -0.24 -0.53 0.00 0.00 0.00 0.00 54.91 54.14 1sf2 h ALA 288 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1sf2 h ALA 288 CO 0.00 0.34 0.42 0.08 0.00 0.00 0.00 179.25 180.08 1sf2 s VAL 289 N -4.06 4.47 0.57 0.00 1.01 -1.25 -4.78 120.40 116.36 1sf2 s VAL 289 Ca -0.02 1.90 -0.18 0.00 0.00 0.00 0.00 61.98 63.67 1sf2 s VAL 289 Cb 0.13 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1sf2 s VAL 289 CO 0.66 0.22 1.13 0.00 0.00 0.00 0.00 175.10 177.11 1sf2 s ALA 290 N 0.54 2.64 0.16 5.51 0.00 -1.26 -4.89 121.76 124.45 1sf2 s ALA 290 Ca 0.51 0.78 -0.34 0.00 0.00 0.00 0.00 51.96 52.91 1sf2 s ALA 290 Cb -0.24 -3.36 -0.15 0.00 0.00 0.00 0.00 23.12 19.37 1sf2 s ALA 290 CO 0.30 -0.90 1.44 -0.35 0.00 0.00 0.00 175.76 176.25 1sf2 n PRO 291 N -1.55 1.81 0.00 0.00 -0.04 -1.26 -1.36 135.00 132.60 1sf2 n PRO 291 Ca 0.11 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1sf2 n PRO 291 Cb 0.51 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1sf2 n PRO 291 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sf2 n GLY 292 N 2.78 0.17 0.60 0.55 0.00 -1.26 -4.94 105.19 103.08 1sf2 n GLY 292 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1sf2 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sf2 n GLY 293 N -1.97 0.24 2.97 -0.02 0.00 -0.46 -4.80 105.19 101.14 1sf2 n GLY 293 Ca 0.00 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 1sf2 n GLY 293 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sf2 s LEU 294 N -2.05 1.44 0.00 0.99 1.43 -1.26 -5.00 118.68 114.23 1sf2 s LEU 294 Ca 0.34 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1sf2 s LEU 294 Cb 0.21 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.54 1sf2 s LEU 294 CO 0.34 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.49 1sf2 n GLY 295 N 4.44 2.57 0.00 -3.19 0.00 -1.26 -5.05 105.19 102.70 1sf2 n GLY 295 Ca -0.17 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1sf2 n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sf2 n GLY 296 N 0.00 3.80 0.35 -0.02 0.00 -1.26 -4.91 105.19 103.15 1sf2 n GLY 296 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 1sf2 n GLY 296 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sf2 h THR 297 N 0.00 0.00 0.00 2.61 2.02 -2.01 -2.82 112.91 112.72 1sf2 h THR 297 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1sf2 h THR 297 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1sf2 h THR 297 CO 0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 1sf2 n TYR 298 N -4.64 0.00 -1.48 3.16 4.01 -1.26 -4.43 117.16 112.52 1sf2 n TYR 298 Ca -0.06 0.00 -0.58 0.00 -0.16 0.00 0.00 57.90 57.10 1sf2 n TYR 298 Cb 0.30 -0.33 -0.08 0.00 -0.31 0.00 0.00 39.34 38.92 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 -1.33 -1.93 -3.43 -0.72 0.00 -1.07 -1.58 120.51 110.46 1sf2 n ALA 299 Ca 0.13 0.47 -0.17 0.00 0.00 0.00 0.00 53.44 53.87 1sf2 n ALA 299 Cb 0.26 -1.65 0.08 0.00 0.00 0.00 0.00 19.45 18.14 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 2.78 -0.43 3.63 0.00 0.00 -0.91 -4.52 105.19 105.74 1sf2 n GLY 300 Ca 0.24 0.15 -0.50 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.13 2.33 -0.23 1.61 2.85 -0.61 -4.77 115.26 113.31 1sf2 n ASN 301 Ca -0.27 1.10 -0.02 0.00 -0.11 0.00 0.00 54.58 55.27 1sf2 n ASN 301 Cb 0.67 -1.29 0.04 0.00 1.24 0.00 0.00 39.78 40.44 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 5.42 -0.08 -0.07 1.20 0.11 -1.89 0.12 132.00 136.80 1sf2 h PRO 302 Ca -0.47 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.67 1sf2 h PRO 302 Cb 1.30 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 1sf2 h PRO 302 CO 0.84 -0.05 -0.04 0.82 -0.21 0.00 0.00 178.00 179.35 1sf2 h ILE 303 N -0.08 0.87 -0.71 4.15 1.08 -1.81 -2.11 117.51 118.89 1sf2 h ILE 303 Ca 0.29 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.74 1sf2 h ILE 303 Cb 0.54 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 35.12 1sf2 h ILE 303 CO -0.71 0.00 0.38 0.00 -0.69 0.00 0.00 178.15 177.13 1sf2 h ALA 304 N 1.02 1.33 0.33 1.87 0.00 -1.66 -1.97 119.26 120.18 1sf2 h ALA 304 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sf2 h ALA 304 Cb 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1sf2 h ALA 304 CO -0.10 0.54 -0.23 0.00 0.00 0.00 0.00 179.25 179.47 1sf2 h VAL 306 N -0.55 1.06 -0.16 0.00 -1.51 -1.18 -0.02 116.25 113.90 1sf2 h VAL 306 Ca -0.03 -0.29 -0.01 0.00 -1.23 0.00 0.00 66.70 65.14 1sf2 h VAL 306 Cb 0.47 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 1sf2 h VAL 306 CO 0.02 0.09 0.05 0.00 -1.23 0.00 0.00 177.57 176.49 1sf2 h ALA 307 N 1.90 0.21 -0.03 5.19 0.00 -0.67 -0.44 119.26 125.43 1sf2 h ALA 307 Ca 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sf2 h ALA 307 Cb 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1sf2 h ALA 307 CO 0.01 -0.18 0.02 0.00 0.00 0.00 0.00 179.25 179.10 1sf2 h ALA 308 N 0.88 0.04 -0.89 0.00 0.00 0.10 0.15 119.26 119.53 1sf2 h ALA 308 Ca 0.05 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1sf2 h ALA 308 Cb 0.21 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 1sf2 h ALA 308 CO -0.00 -0.43 0.50 -0.07 0.00 0.00 0.00 179.25 179.25 1sf2 h LEU 309 N -0.01 0.68 -0.50 0.00 3.38 -0.90 0.20 115.31 118.16 1sf2 h LEU 309 Ca 0.01 0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 1sf2 h LEU 309 Cb 0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1sf2 h LEU 309 CO -0.00 0.32 -0.61 -0.08 0.09 0.00 0.00 178.44 178.17 1sf2 h GLU 310 N 0.76 0.48 -0.44 1.13 4.57 -0.67 -2.52 114.58 117.88 1sf2 h GLU 310 Ca 0.47 -0.33 0.02 0.00 -1.18 0.00 0.00 59.36 58.33 1sf2 h GLU 310 Cb 0.57 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 1sf2 h GLU 310 CO -0.31 0.94 0.26 0.28 -1.18 0.00 0.00 179.01 179.00 1sf2 h VAL 311 N 0.36 1.05 -0.53 0.32 2.07 0.12 0.67 116.25 120.31 1sf2 h VAL 311 Ca -0.01 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1sf2 h VAL 311 Cb 1.15 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1sf2 h VAL 311 CO 0.11 0.10 0.18 -0.07 0.02 0.00 0.00 177.57 177.90 1sf2 h LEU 312 N 0.53 0.71 -0.38 2.57 3.38 -1.00 -0.51 115.31 120.61 1sf2 h LEU 312 Ca 0.17 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1sf2 h LEU 312 Cb 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1sf2 h LEU 312 CO -0.08 0.67 -0.09 0.11 0.09 0.00 0.00 178.44 179.14 1sf2 h LYS 313 N 0.76 0.72 -0.96 1.13 1.57 -0.92 -2.89 116.57 115.98 1sf2 h LYS 313 Ca 0.18 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1sf2 h LYS 313 Cb 0.21 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 1sf2 h LYS 313 CO -0.01 0.87 0.64 0.28 -0.57 0.00 0.00 179.45 180.66 1sf2 h VAL 314 N 0.53 1.24 -0.84 0.50 2.07 -0.26 -0.28 116.25 119.21 1sf2 h VAL 314 Ca 0.10 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1sf2 h VAL 314 Cb 0.60 -0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 1sf2 h VAL 314 CO 0.04 0.24 0.54 -0.26 0.02 0.00 0.00 177.57 178.14 1sf2 h PHE 315 N 1.30 1.01 0.20 1.57 -1.00 -0.98 0.11 116.94 119.16 1sf2 h PHE 315 Ca 0.36 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.15 1sf2 h PHE 315 Cb -0.14 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 39.09 1sf2 h PHE 315 CO -0.00 0.57 -0.10 1.49 -1.61 0.00 0.00 178.31 178.65 1sf2 h GLU 316 N 1.03 -0.26 -0.10 1.51 4.57 -1.14 -1.98 114.58 118.21 1sf2 h GLU 316 Ca 0.34 0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.41 1sf2 h GLU 316 Cb 0.04 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1sf2 h GLU 316 CO -0.13 0.11 -0.51 -0.56 -1.18 0.00 0.00 179.01 176.74 1sf2 h GLN 317 N -0.73 0.27 -0.68 1.92 3.07 -0.98 -3.08 115.11 114.90 1sf2 h GLN 317 Ca -0.03 -0.16 0.00 0.00 0.09 0.00 0.00 58.65 58.56 1sf2 h GLN 317 Cb 0.50 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.07 1sf2 h GLN 317 CO 0.05 0.72 0.00 0.39 0.09 0.00 0.00 178.83 180.08 1sf2 n GLU 318 N -3.95 2.69 -3.99 0.06 1.02 0.39 -4.97 120.64 111.89 1sf2 n GLU 318 Ca -0.02 -2.48 -0.26 0.00 -0.02 0.00 0.00 57.16 54.38 1sf2 n GLU 318 Cb 0.55 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 30.38 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 1.45 -0.17 0.01 1.62 4.13 -0.89 -4.89 115.26 116.52 1sf2 n ASN 319 Ca 0.23 -1.03 -0.01 0.00 1.68 0.00 0.00 54.58 55.44 1sf2 n ASN 319 Cb 0.60 -2.91 0.26 0.00 -1.54 0.00 0.00 39.78 36.19 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 -1.83 0.48 -0.53 3.41 3.38 -1.62 -2.42 115.31 116.18 1sf2 h LEU 320 Ca -0.63 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.21 1sf2 h LEU 320 Cb 1.38 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1sf2 h LEU 320 CO 0.63 0.62 0.28 -0.07 0.09 0.00 0.00 178.44 180.00 1sf2 h LEU 321 N 0.46 0.66 -0.57 1.67 3.38 -1.87 0.60 115.31 119.64 1sf2 h LEU 321 Ca 0.09 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1sf2 h LEU 321 Cb 0.46 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1sf2 h LEU 321 CO 0.03 0.57 0.21 -0.61 0.09 0.00 0.00 178.44 178.73 1sf2 h GLN 322 N 0.70 0.86 -0.64 1.13 5.75 -1.80 -1.78 115.11 119.33 1sf2 h GLN 322 Ca 0.18 -0.16 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 1sf2 h GLN 322 Cb 0.06 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1sf2 h GLN 322 CO -0.03 0.75 0.13 0.87 -2.65 0.00 0.00 178.83 177.90 1sf2 h LYS 323 N 0.78 1.04 -0.65 1.69 1.57 -1.02 -0.56 116.57 119.42 1sf2 h LYS 323 Ca 0.19 -0.26 0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1sf2 h LYS 323 Cb 0.22 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.34 1sf2 h LYS 323 CO -0.01 0.95 0.29 0.00 -0.57 0.00 0.00 179.45 180.11 1sf2 h ALA 324 N 1.04 0.87 -0.40 3.86 0.00 0.65 0.46 119.26 125.74 1sf2 h ALA 324 Ca 0.20 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 1sf2 h ALA 324 Cb 0.40 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1sf2 h ALA 324 CO 0.01 -0.11 -0.32 -0.91 0.00 0.00 0.00 179.25 177.91 1sf2 h ASN 325 N 0.51 0.96 -0.26 0.00 2.35 -0.99 -1.50 115.58 116.65 1sf2 h ASN 325 Ca 0.32 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1sf2 h ASN 325 Cb 0.35 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1sf2 h ASN 325 CO -0.27 1.19 0.07 0.44 -1.65 0.00 0.00 177.43 177.20 1sf2 h ASP 326 N 0.76 0.39 -0.67 5.81 3.32 0.15 -2.47 116.42 123.72 1sf2 h ASP 326 Ca 0.08 -0.22 0.04 0.00 0.02 0.00 0.00 57.03 56.94 1sf2 h ASP 326 Cb 0.90 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.30 1sf2 h ASP 326 CO 0.08 0.51 0.40 0.25 -1.72 0.00 0.00 179.24 178.76 1sf2 h LEU 327 N 0.25 0.63 -1.04 1.55 5.85 -0.08 -0.79 115.31 121.68 1sf2 h LEU 327 Ca 0.08 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1sf2 h LEU 327 Cb 0.27 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1sf2 h LEU 327 CO 0.00 0.42 0.63 1.23 -0.34 0.00 0.00 178.44 180.39 1sf2 h GLY 328 N 0.76 1.36 0.61 3.75 0.00 -1.12 0.19 103.07 108.62 1sf2 h GLY 328 Ca 0.28 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1sf2 h GLY 328 CO -0.14 0.50 -0.04 -1.61 0.00 0.00 0.00 176.54 175.26 1sf2 h GLN 329 N 1.31 -0.09 -0.58 4.80 5.75 -0.94 0.73 115.11 126.09 1sf2 h GLN 329 Ca 0.35 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.94 1sf2 h GLN 329 Cb -0.14 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.36 1sf2 h GLN 329 CO -0.08 0.28 0.24 0.87 -2.65 0.00 0.00 178.83 177.49 1sf2 h LYS 330 N -0.49 0.42 -0.06 1.69 1.57 -0.88 0.16 116.57 118.98 1sf2 h LYS 330 Ca -0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1sf2 h LYS 330 Cb 0.42 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1sf2 h LYS 330 CO 0.02 0.28 0.03 -0.07 -0.57 0.00 0.00 179.45 179.13 1sf2 h LEU 331 N 0.43 0.09 -1.10 2.94 3.38 -0.55 -1.39 115.31 119.11 1sf2 h LEU 331 Ca 0.28 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1sf2 h LEU 331 Cb 0.31 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1sf2 h LEU 331 CO -0.26 0.22 0.28 0.11 0.09 0.00 0.00 178.44 178.88 1sf2 h LYS 332 N -0.05 0.91 -0.53 1.13 1.57 -0.26 -0.14 116.57 119.20 1sf2 h LYS 332 Ca 0.02 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 1sf2 h LYS 332 Cb 0.16 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1sf2 h LYS 332 CO -0.00 0.73 -0.04 -0.44 -0.57 0.00 0.00 179.45 179.13 1sf2 h ASP 333 N 0.91 0.96 -0.51 0.86 3.32 -0.55 -0.92 116.42 120.48 1sf2 h ASP 333 Ca 0.22 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 1sf2 h ASP 333 Cb 0.14 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1sf2 h ASP 333 CO -0.02 1.05 0.12 1.23 -1.72 0.00 0.00 179.24 179.90 1sf2 h GLY 334 N 0.84 0.87 1.27 2.75 0.00 -0.73 -2.40 103.07 105.68 1sf2 h GLY 334 Ca 0.15 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 1sf2 h GLY 334 CO 0.03 0.51 -0.25 1.41 0.00 0.00 0.00 176.54 178.25 1sf2 h LEU 335 N 0.70 0.85 -1.62 3.11 3.38 -0.90 -2.21 115.31 118.62 1sf2 h LEU 335 Ca 0.16 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1sf2 h LEU 335 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1sf2 h LEU 335 CO 0.00 1.06 -0.21 -0.07 0.09 0.00 0.00 178.44 179.32 1sf2 h LEU 336 N 0.72 0.00 -0.24 1.67 3.38 -1.09 0.22 115.31 119.96 1sf2 h LEU 336 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1sf2 h LEU 336 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1sf2 h LEU 336 CO 0.07 0.21 -0.09 0.00 0.09 0.00 0.00 178.44 178.72 1sf2 h ALA 337 N 1.79 0.33 -0.43 1.53 0.00 -0.92 -2.57 119.26 118.99 1sf2 h ALA 337 Ca -0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1sf2 h ALA 337 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1sf2 h ALA 337 CO 0.03 0.16 -0.09 0.82 0.00 0.00 0.00 179.25 180.17 1sf2 h ILE 338 N 0.21 1.25 -0.71 0.00 2.04 -0.80 -2.76 117.51 116.74 1sf2 h ILE 338 Ca 0.06 -1.12 0.11 0.00 1.00 0.00 0.00 64.86 64.91 1sf2 h ILE 338 Cb 0.57 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 1sf2 h ILE 338 CO 0.03 0.38 0.47 0.00 0.00 0.00 0.00 178.15 179.04 1sf2 h ALA 339 N 1.21 1.96 -0.75 1.87 0.00 -0.33 -1.98 119.26 121.23 1sf2 h ALA 339 Ca 0.12 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1sf2 h ALA 339 Cb 0.55 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1sf2 h ALA 339 CO 0.03 -0.12 0.49 0.93 0.00 0.00 0.00 179.25 180.58 1sf2 h GLU 340 N 0.52 0.67 -0.02 0.00 5.08 -1.15 -2.00 114.58 117.68 1sf2 h GLU 340 Ca 0.34 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1sf2 h GLU 340 Cb 0.60 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1sf2 h GLU 340 CO -0.11 0.44 -0.04 1.63 -1.00 0.00 0.00 179.01 179.93 1sf2 n LYS 341 N -4.49 1.96 -3.50 2.33 5.02 -0.76 -4.75 118.16 113.97 1sf2 n LYS 341 Ca 0.12 -1.47 -0.27 0.00 -2.02 0.00 0.00 58.31 54.67 1sf2 n LYS 341 Cb 0.31 -1.47 -0.13 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.05 0.32 0.59 2.13 3.76 -0.75 -5.01 115.29 114.28 1sf2 s HIS 342 Ca 0.31 -1.01 0.29 0.00 -0.15 0.00 0.00 55.06 54.50 1sf2 s HIS 342 Cb 0.20 -0.83 1.63 0.00 1.11 0.00 0.00 32.58 34.68 1sf2 s HIS 342 CO 0.34 -0.85 2.05 -1.35 -0.85 0.00 0.00 174.74 174.09 1sf2 h PRO 343 N 7.95 0.00 -0.07 8.40 0.11 -1.86 -1.92 132.00 144.62 1sf2 h PRO 343 Ca -0.11 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.02 1sf2 h PRO 343 Cb 1.01 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1sf2 h PRO 343 CO 0.37 0.00 0.15 0.93 -0.21 0.00 0.00 178.00 179.24 1sf2 h GLU 344 N 0.00 0.00 -5.71 1.05 3.07 -1.90 -3.33 114.58 107.76 1sf2 h GLU 344 Ca 0.11 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.35 1sf2 h GLU 344 Cb 0.64 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.42 1sf2 h GLU 344 CO -0.00 0.00 1.05 0.42 -1.40 0.00 0.00 179.01 179.08 1sf2 s ILE 345 N -4.37 4.20 -2.37 3.13 1.01 -0.72 -0.03 121.20 122.05 1sf2 s ILE 345 Ca -0.05 -0.72 0.22 0.00 0.00 0.00 0.00 60.65 60.10 1sf2 s ILE 345 Cb 0.13 -4.88 0.44 0.00 0.01 0.00 0.00 42.46 38.16 1sf2 s ILE 345 CO 0.45 -1.71 1.50 0.61 0.00 0.00 0.00 174.94 175.79 1sf2 n GLY 346 N 5.94 0.67 3.65 6.18 0.00 -0.81 -4.91 105.19 115.91 1sf2 n GLY 346 Ca 0.18 -0.51 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.58 -0.31 -0.20 1.61 2.15 -1.24 -4.96 116.67 112.15 1sf2 s ASP 347 Ca 0.34 0.53 0.01 0.00 0.43 0.00 0.00 52.55 53.85 1sf2 s ASP 347 Cb 0.19 0.96 0.04 0.00 -0.30 0.00 0.00 42.92 43.81 1sf2 s ASP 347 CO 0.28 -0.09 -0.10 -0.69 -0.17 0.00 0.00 175.17 174.41 1sf2 s VAL 348 N 0.91 1.61 0.25 1.11 1.01 -1.26 -1.96 120.40 122.06 1sf2 s VAL 348 Ca -0.05 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.96 1sf2 s VAL 348 Cb -0.04 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1sf2 s VAL 348 CO -0.12 0.16 0.19 0.00 0.00 0.00 0.00 175.10 175.32 1sf2 s ARG 349 N 1.41 1.41 0.00 2.72 1.70 -0.53 -5.02 118.95 120.64 1sf2 s ARG 349 Ca -0.01 -1.77 0.00 0.00 -0.47 0.00 0.00 55.73 53.47 1sf2 s ARG 349 Cb -0.16 0.29 0.00 0.00 -0.57 0.00 0.00 34.95 34.51 1sf2 s ARG 349 CO -0.08 -0.49 0.00 0.41 -1.08 0.00 0.00 175.30 174.06 1sf2 n GLY 350 N -0.40 4.70 3.77 3.88 0.00 -1.26 -1.68 105.19 114.19 1sf2 n GLY 350 Ca 0.04 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 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 4.39 0.00 0.99 1.43 -1.25 -4.88 118.68 119.36 1sf2 s LEU 351 Ca 0.00 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 1sf2 s LEU 351 Cb 0.00 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.44 1sf2 s LEU 351 CO 0.00 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1sf2 n GLY 352 N 2.56 3.45 1.56 -3.19 0.00 -1.13 -1.69 105.19 106.75 1sf2 n GLY 352 Ca -0.08 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 11.05 3.37 -2.83 4.61 0.00 0.88 -3.96 120.51 133.63 1sf2 n ALA 353 Ca 0.00 -1.84 -0.43 0.00 0.00 0.00 0.00 53.44 51.17 1sf2 n ALA 353 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 0.61 3.87 -3.71 0.00 0.00 -0.68 -4.76 117.12 112.45 1sf2 n MET 354 Ca 0.25 -4.09 -0.36 0.00 0.00 0.00 0.00 57.70 53.51 1sf2 n MET 354 Cb 1.00 -2.74 -0.06 0.00 0.00 0.00 0.00 33.22 31.43 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 -0.81 5.26 0.12 1.12 -1.09 -1.26 -3.80 121.20 120.75 1sf2 s ILE 355 Ca 0.36 0.34 -0.14 0.00 -2.23 0.00 0.00 60.65 58.97 1sf2 s ILE 355 Cb 0.03 -3.57 0.03 0.00 -1.58 0.00 0.00 42.46 37.36 1sf2 s ILE 355 CO 0.03 0.44 0.36 0.00 -1.23 0.00 0.00 174.94 174.54 1sf2 s ALA 356 N -1.22 -0.76 0.01 9.38 0.00 -0.68 -1.05 121.76 127.44 1sf2 s ALA 356 Ca 0.25 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.04 1sf2 s ALA 356 Cb -0.14 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 1sf2 s ALA 356 CO 0.14 -0.63 -0.09 0.96 0.00 0.00 0.00 175.76 176.14 1sf2 s ILE 357 N -3.83 0.68 -0.14 0.00 -4.36 0.20 -1.45 121.20 112.29 1sf2 s ILE 357 Ca 0.04 -0.59 -0.01 0.00 -0.26 0.00 0.00 60.65 59.84 1sf2 s ILE 357 Cb 0.02 -0.61 -0.02 0.00 1.25 0.00 0.00 42.46 43.11 1sf2 s ILE 357 CO -0.11 0.03 -0.11 -0.70 0.24 0.00 0.00 174.94 174.30 1sf2 s GLU 358 N -0.61 3.43 -0.14 0.37 2.12 -0.83 -0.01 118.70 123.02 1sf2 s GLU 358 Ca 0.00 -0.66 -0.12 0.00 0.36 0.00 0.00 54.97 54.56 1sf2 s GLU 358 Cb -0.05 -2.71 -0.05 0.00 0.26 0.00 0.00 34.13 31.58 1sf2 s GLU 358 CO 0.00 0.18 0.25 -0.51 -0.54 0.00 0.00 175.26 174.63 1sf2 s LEU 359 N 0.46 4.30 -0.03 2.70 1.43 0.21 -1.92 118.68 125.83 1sf2 s LEU 359 Ca -0.08 0.51 0.05 0.00 -1.03 0.00 0.00 54.13 53.57 1sf2 s LEU 359 Cb -0.15 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 1sf2 s LEU 359 CO 0.04 0.21 -0.17 -0.36 0.23 0.00 0.00 176.35 176.31 1sf2 s PHE 360 N -0.07 1.57 -0.17 0.29 2.99 0.96 -1.77 117.98 121.78 1sf2 s PHE 360 Ca 0.15 -0.37 -0.29 0.00 0.00 0.00 0.00 56.93 56.43 1sf2 s PHE 360 Cb -0.13 -1.04 -0.05 0.00 0.00 0.00 0.00 43.02 41.81 1sf2 s PHE 360 CO 0.04 -0.09 1.89 -1.21 -0.00 0.00 0.00 175.22 175.85 1sf2 s GLU 361 N -0.18 3.63 -1.16 0.44 2.02 0.15 -2.91 118.70 120.68 1sf2 s GLU 361 Ca 0.02 1.96 -0.22 0.00 0.02 0.00 0.00 54.97 56.75 1sf2 s GLU 361 Cb -0.09 -4.18 -0.00 0.00 0.10 0.00 0.00 34.13 29.96 1sf2 s GLU 361 CO 0.01 -1.52 0.76 -0.25 0.02 0.00 0.00 175.26 174.28 1sf2 n ASP 362 N 9.39 -4.89 -0.61 -0.19 8.00 -1.26 -2.15 116.55 124.84 1sf2 n ASP 362 Ca 0.23 -1.06 -0.02 0.00 0.71 0.00 0.00 54.79 54.65 1sf2 n ASP 362 Cb 0.44 -3.11 -0.01 0.00 -0.02 0.00 0.00 41.12 38.42 1sf2 n ASP 362 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sf2 n GLY 363 N -1.76 0.19 3.57 0.44 0.00 -1.15 -4.88 105.19 101.61 1sf2 n GLY 363 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.88 6.52 0.00 1.61 3.68 -0.91 -4.88 116.67 121.81 1sf2 s ASP 364 Ca 0.00 0.20 0.00 0.00 2.13 0.00 0.00 52.55 54.89 1sf2 s ASP 364 Cb 0.00 -2.43 0.02 0.00 -1.45 0.00 0.00 42.92 39.06 1sf2 s ASP 364 CO 0.00 -0.92 0.16 1.41 0.13 0.00 0.00 175.17 175.95 1sf2 n HIS 365 N 6.84 0.00 0.21 -5.34 8.25 -1.26 -0.11 115.22 123.81 1sf2 n HIS 365 Ca 0.05 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.54 1sf2 n HIS 365 Cb 0.48 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.56 1sf2 n HIS 365 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1sf2 n ASN 366 N -0.55 1.05 -4.08 0.41 3.02 -1.26 -4.86 115.26 108.99 1sf2 n ASN 366 Ca 0.00 -0.49 -0.36 0.00 -0.03 0.00 0.00 54.58 53.71 1sf2 n ASN 366 Cb 0.00 1.06 -0.08 0.00 -0.61 0.00 0.00 39.78 40.15 1sf2 n ASN 366 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1sf2 s LYS 367 N -1.75 2.90 0.14 3.52 1.02 0.84 -5.07 119.74 121.35 1sf2 s LYS 367 Ca 0.01 -2.97 -0.31 0.00 0.02 0.00 0.00 55.97 52.72 1sf2 s LYS 367 Cb 0.04 -3.81 -0.09 0.00 -0.52 0.00 0.00 37.83 33.45 1sf2 s LYS 367 CO 0.24 -1.23 1.49 -1.25 -0.92 0.00 0.00 175.35 173.69 1sf2 s PRO 368 N -0.81 4.26 -1.11 -1.68 0.04 -1.26 0.31 135.00 134.75 1sf2 s PRO 368 Ca 0.23 2.23 -0.11 0.00 0.04 0.00 0.00 61.00 63.39 1sf2 s PRO 368 Cb -0.13 -3.22 0.24 0.00 0.04 0.00 0.00 34.50 31.43 1sf2 s PRO 368 CO -0.09 -0.54 1.18 0.34 0.04 0.00 0.00 177.00 177.93 1sf2 s ASP 369 N 1.20 7.18 0.34 6.66 -1.08 -0.73 -4.70 116.67 125.54 1sf2 s ASP 369 Ca 0.68 -3.28 0.13 0.00 -0.52 0.00 0.00 52.55 49.56 1sf2 s ASP 369 Cb -0.40 -2.28 0.61 0.00 -1.46 0.00 0.00 42.92 39.39 1sf2 s ASP 369 CO 0.31 -0.48 1.75 0.00 0.52 0.00 0.00 175.17 177.27 1sf2 h ALA 370 N 6.99 1.19 -0.02 3.66 0.00 -1.79 -2.37 119.26 126.92 1sf2 h ALA 370 Ca 0.21 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1sf2 h ALA 370 Cb 0.89 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1sf2 h ALA 370 CO 1.07 0.56 0.00 0.87 0.00 0.00 0.00 179.25 181.76 1sf2 h LYS 371 N 0.00 0.02 -0.44 0.00 1.79 -1.87 -0.86 116.57 115.21 1sf2 h LYS 371 Ca -0.00 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1sf2 h LYS 371 Cb 0.83 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.46 1sf2 h LYS 371 CO 0.06 0.22 0.23 1.25 -1.08 0.00 0.00 179.45 180.13 1sf2 h LEU 372 N -0.18 0.57 -0.26 2.94 5.85 -1.95 -1.45 115.31 120.83 1sf2 h LEU 372 Ca 0.01 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.67 1sf2 h LEU 372 Cb 0.21 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1sf2 h LEU 372 CO -0.00 0.51 -0.11 0.74 -0.34 0.00 0.00 178.44 179.25 1sf2 h THR 373 N 0.58 0.64 -0.25 1.05 2.02 -1.31 0.19 112.91 115.83 1sf2 h THR 373 Ca 0.15 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.27 1sf2 h THR 373 Cb 0.09 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1sf2 h THR 373 CO -0.02 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.73 1sf2 h ALA 374 N 1.17 1.30 -0.31 6.16 0.00 -1.00 -2.42 119.26 124.15 1sf2 h ALA 374 Ca 0.14 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1sf2 h ALA 374 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1sf2 h ALA 374 CO -0.31 0.47 -0.05 1.49 0.00 0.00 0.00 179.25 180.86 1sf2 h GLU 375 N 0.40 0.59 -0.91 0.00 4.81 -0.38 -2.23 114.58 116.86 1sf2 h GLU 375 Ca 0.07 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1sf2 h GLU 375 Cb 0.48 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 1sf2 h GLU 375 CO 0.03 0.75 0.60 0.82 -0.73 0.00 0.00 179.01 180.48 1sf2 h ILE 376 N 0.37 1.23 -0.70 2.32 1.08 -0.79 -0.21 117.51 120.81 1sf2 h ILE 376 Ca 0.08 -0.42 -0.01 0.00 -0.39 0.00 0.00 64.86 64.13 1sf2 h ILE 376 Cb 0.52 -0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.13 1sf2 h ILE 376 CO 0.03 0.22 0.41 0.58 -0.69 0.00 0.00 178.15 178.70 1sf2 h VAL 377 N 1.23 1.20 -0.23 1.67 2.07 -1.29 -0.21 116.25 120.69 1sf2 h VAL 377 Ca 0.33 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1sf2 h VAL 377 Cb -0.14 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1sf2 h VAL 377 CO -0.07 0.22 -0.00 0.00 0.02 0.00 0.00 177.57 177.73 1sf2 h ALA 378 N 1.21 0.31 -0.58 1.67 0.00 -0.76 -2.09 119.26 119.02 1sf2 h ALA 378 Ca 0.25 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1sf2 h ALA 378 Cb -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1sf2 h ALA 378 CO -0.04 0.04 0.02 0.00 0.00 0.00 0.00 179.25 179.27 1sf2 h ARG 379 N 0.18 0.98 -0.76 0.00 3.08 -0.97 -1.39 114.38 115.51 1sf2 h ARG 379 Ca 0.07 -0.29 0.02 0.00 0.07 0.00 0.00 59.98 59.85 1sf2 h ARG 379 Cb 0.41 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1sf2 h ARG 379 CO 0.01 0.95 0.50 0.00 -1.07 0.00 0.00 179.97 180.36 1sf2 h ALA 380 N 1.11 0.98 -0.64 0.04 0.00 -0.95 -1.19 119.26 118.61 1sf2 h ALA 380 Ca 0.17 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1sf2 h ALA 380 Cb 0.50 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1sf2 h ALA 380 CO 0.02 0.35 0.05 -0.09 0.00 0.00 0.00 179.25 179.58 1sf2 h ARG 381 N 1.00 1.10 0.00 0.00 1.12 -0.98 0.11 114.38 116.74 1sf2 h ARG 381 Ca 0.29 -0.32 -0.01 0.00 -1.11 0.00 0.00 59.98 58.82 1sf2 h ARG 381 Cb -0.07 -0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 29.78 1sf2 h ARG 381 CO -0.08 1.04 -0.06 -0.44 -3.11 0.00 0.00 179.97 177.32 1sf2 h ASP 382 N 1.01 0.00 -0.59 -3.80 3.45 -0.54 -1.56 116.42 114.40 1sf2 h ASP 382 Ca 0.19 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.65 1sf2 h ASP 382 Cb 0.51 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.28 1sf2 h ASP 382 CO 0.02 0.06 0.00 0.29 -1.57 0.00 0.00 179.24 178.04 1sf2 n LYS 383 N -3.84 3.41 -0.94 3.56 5.02 -0.46 -4.93 118.16 119.97 1sf2 n LYS 383 Ca -0.03 -2.55 0.00 0.00 -2.02 0.00 0.00 58.31 53.72 1sf2 n LYS 383 Cb 0.15 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 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 1.08 0.43 3.19 0.72 0.00 -0.59 -4.99 105.19 105.03 1sf2 n GLY 384 Ca 0.23 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 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 2.13 -0.30 0.99 2.96 0.27 -0.03 118.68 124.70 1sf2 s LEU 385 Ca 0.00 -0.58 -0.18 0.00 -0.22 0.00 0.00 54.13 53.15 1sf2 s LEU 385 Cb 0.00 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 1sf2 s LEU 385 CO 0.00 0.10 0.49 -0.63 -1.32 0.00 0.00 176.35 174.99 1sf2 s ILE 386 N 0.70 5.06 0.26 6.68 -1.09 -0.41 -2.52 121.20 129.88 1sf2 s ILE 386 Ca -0.10 0.59 0.08 0.00 -2.23 0.00 0.00 60.65 59.00 1sf2 s ILE 386 Cb -0.16 -3.87 -0.05 0.00 -1.58 0.00 0.00 42.46 36.80 1sf2 s ILE 386 CO 0.01 -0.04 -0.11 -0.76 -1.23 0.00 0.00 174.94 172.81 1sf2 s LEU 387 N 2.32 2.55 0.09 2.97 1.43 -1.26 -1.60 118.68 125.17 1sf2 s LEU 387 Ca 0.19 -1.11 0.05 0.00 -1.03 0.00 0.00 54.13 52.22 1sf2 s LEU 387 Cb -0.16 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.27 1sf2 s LEU 387 CO 0.11 -0.21 -0.12 -0.76 0.23 0.00 0.00 176.35 175.60 1sf2 s LEU 388 N -3.43 2.34 0.46 1.79 1.43 -1.26 -4.94 118.68 115.07 1sf2 s LEU 388 Ca 0.28 -0.70 0.05 0.00 -1.03 0.00 0.00 54.13 52.72 1sf2 s LEU 388 Cb 0.01 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.78 1sf2 s LEU 388 CO 0.11 -0.16 0.14 -0.94 0.23 0.00 0.00 176.35 175.73 1sf2 s SER 389 N -2.07 4.27 0.00 2.29 1.04 -1.26 -2.66 113.70 115.31 1sf2 s SER 389 Ca 0.01 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.12 1sf2 s SER 389 Cb -0.07 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1sf2 s SER 389 CO 0.02 -0.70 0.00 0.00 0.98 0.00 0.00 173.24 173.53 1sf2 n GLY 391 N 0.00 0.92 0.20 0.00 0.00 0.16 -2.25 105.19 104.21 1sf2 n GLY 391 Ca 0.00 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.23 1.61 0.13 -1.76 -0.95 132.00 130.80 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 -2.36 0.30 -3.38 1.56 4.02 -1.26 -5.00 117.16 111.03 1sf2 n TYR 393 Ca -0.02 -0.40 -0.24 0.00 -0.01 0.00 0.00 57.90 57.23 1sf2 n TYR 393 Cb 0.11 -0.02 0.05 0.00 -0.02 0.00 0.00 39.34 39.45 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 0.37 -2.33 -1.49 -0.72 4.02 -0.36 -4.52 117.16 112.13 1sf2 n TYR 394 Ca 0.09 0.75 0.06 0.00 -0.01 0.00 0.00 57.90 58.79 1sf2 n TYR 394 Cb 0.36 -4.47 0.10 0.00 -0.02 0.00 0.00 39.34 35.31 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 -2.72 1.52 -4.27 7.72 6.94 -1.18 -4.33 115.26 118.94 1sf2 n ASN 395 Ca -0.04 -2.81 -0.33 0.00 -0.02 0.00 0.00 54.58 51.39 1sf2 n ASN 395 Cb 0.58 -0.37 -0.16 0.00 -2.36 0.00 0.00 39.78 37.47 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 -1.92 2.50 -0.25 3.53 1.01 -0.95 -0.62 120.40 123.70 1sf2 s VAL 396 Ca 0.24 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 1sf2 s VAL 396 Cb 0.22 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 1sf2 s VAL 396 CO -0.00 0.54 0.14 -0.76 0.00 0.00 0.00 175.10 175.02 1sf2 s LEU 397 N 0.50 3.95 0.25 3.92 1.43 0.98 -0.43 118.68 129.28 1sf2 s LEU 397 Ca -0.12 0.03 0.09 0.00 -1.03 0.00 0.00 54.13 53.09 1sf2 s LEU 397 Cb -0.17 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1sf2 s LEU 397 CO 0.05 0.03 0.00 0.00 0.23 0.00 0.00 176.35 176.66 1sf2 s ARG 398 N 1.26 2.33 -0.15 1.70 1.70 -1.09 -0.63 118.95 124.07 1sf2 s ARG 398 Ca 0.07 -1.36 -0.00 0.00 -0.47 0.00 0.00 55.73 53.97 1sf2 s ARG 398 Cb -0.14 -2.20 0.03 0.00 -0.57 0.00 0.00 34.95 32.07 1sf2 s ARG 398 CO 0.06 0.38 -0.08 0.42 -1.08 0.00 0.00 175.30 174.99 1sf2 s ILE 399 N -2.22 1.25 -0.20 4.99 1.01 -0.21 -4.35 121.20 121.46 1sf2 s ILE 399 Ca 0.31 -0.58 0.13 0.00 0.00 0.00 0.00 60.65 60.51 1sf2 s ILE 399 Cb -0.07 -1.31 0.44 0.00 0.01 0.00 0.00 42.46 41.53 1sf2 s ILE 399 CO 0.20 0.27 1.19 0.18 0.00 0.00 0.00 174.94 176.78 1sf2 n LEU 400 N 4.85 2.93 -4.76 2.97 4.77 0.41 -3.98 117.00 124.20 1sf2 n LEU 400 Ca -0.13 -3.75 -0.38 0.00 -0.03 0.00 0.00 56.01 51.71 1sf2 n LEU 400 Cb 0.49 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1sf2 n LEU 400 CO 0.18 1.42 0.92 0.54 -1.33 0.00 0.00 177.39 179.12 1sf2 s VAL 401 N -3.14 2.53 0.37 4.08 0.11 -1.11 -3.27 120.40 119.97 1sf2 s VAL 401 Ca 0.40 0.41 -0.25 0.00 -2.93 0.00 0.00 61.98 59.61 1sf2 s VAL 401 Cb 0.38 -3.21 -0.12 0.00 -1.53 0.00 0.00 36.38 31.90 1sf2 s VAL 401 CO -0.05 0.00 0.93 -2.65 -3.33 0.00 0.00 175.10 169.99 1sf2 n PRO 402 N -0.69 1.20 0.04 1.54 -0.02 -1.26 -4.85 135.00 130.96 1sf2 n PRO 402 Ca 0.08 0.43 0.09 0.00 -2.02 0.00 0.00 63.50 62.08 1sf2 n PRO 402 Cb 0.46 -1.87 0.40 0.00 -0.02 0.00 0.00 33.50 32.47 1sf2 n PRO 402 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1sf2 n LEU 403 N 0.91 0.21 -0.59 2.45 4.77 0.01 -2.15 117.00 122.60 1sf2 n LEU 403 Ca 0.10 0.55 0.09 0.00 -0.03 0.00 0.00 56.01 56.71 1sf2 n LEU 403 Cb 0.36 -0.51 0.30 0.00 -2.33 0.00 0.00 43.42 41.24 1sf2 n LEU 403 CO 0.58 -0.29 0.73 0.35 -1.33 0.00 0.00 177.39 177.42 1sf2 n THR 404 N -1.73 0.30 -1.69 -5.08 -2.24 -1.23 -4.76 114.28 97.86 1sf2 n THR 404 Ca 0.04 -0.39 -0.41 0.00 -2.27 0.00 0.00 64.05 61.01 1sf2 n THR 404 Cb 0.22 0.33 0.01 0.00 -2.10 0.00 0.00 70.33 68.79 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 0.41 2.52 -2.54 2.28 3.06 -0.91 -4.94 119.36 119.22 1sf2 n ILE 405 Ca 0.15 -0.50 -0.31 0.00 -2.50 0.00 0.00 62.75 59.59 1sf2 n ILE 405 Cb 0.32 -1.54 -0.03 0.00 0.54 0.00 0.00 39.64 38.94 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 -2.17 3.85 0.21 9.51 2.02 -1.26 -4.95 118.70 125.91 1sf2 s GLU 406 Ca 0.61 0.74 -0.09 0.00 0.02 0.00 0.00 54.97 56.24 1sf2 s GLU 406 Cb -0.52 -2.24 0.26 0.00 0.10 0.00 0.00 34.13 31.73 1sf2 s GLU 406 CO 0.58 -0.20 1.78 -0.44 0.02 0.00 0.00 175.26 177.01 1sf2 h ASP 407 N 0.95 0.43 -0.21 -0.19 3.32 -2.00 -1.58 116.42 117.13 1sf2 h ASP 407 Ca -0.47 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.60 1sf2 h ASP 407 Cb 1.19 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1sf2 h ASP 407 CO 0.62 0.27 0.06 0.00 -1.72 0.00 0.00 179.24 178.47 1sf2 h ALA 408 N 1.37 1.55 0.00 3.45 0.00 -2.00 -1.48 119.26 122.15 1sf2 h ALA 408 Ca 0.30 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1sf2 h ALA 408 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sf2 h ALA 408 CO -0.23 0.34 -0.41 1.96 0.00 0.00 0.00 179.25 180.91 1sf2 h GLN 409 N 0.42 0.00 -0.12 0.00 4.20 -1.70 -0.84 115.11 117.09 1sf2 h GLN 409 Ca 0.10 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1sf2 h GLN 409 Cb 0.19 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1sf2 h GLN 409 CO -0.00 0.41 0.01 0.82 -0.67 0.00 0.00 178.83 179.40 1sf2 h ILE 410 N 0.00 1.24 -0.41 2.54 2.04 -0.69 -1.33 117.51 120.90 1sf2 h ILE 410 Ca -0.00 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 1sf2 h ILE 410 Cb 0.88 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 1sf2 h ILE 410 CO 0.05 0.22 0.19 0.03 0.00 0.00 0.00 178.15 178.64 1sf2 h ARG 411 N -0.05 0.60 -0.37 2.37 3.08 -1.31 -2.46 114.38 116.23 1sf2 h ARG 411 Ca 0.03 -0.09 0.07 0.00 0.07 0.00 0.00 59.98 60.06 1sf2 h ARG 411 Cb 0.33 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 1sf2 h ARG 411 CO 0.00 0.53 -0.02 0.37 -1.07 0.00 0.00 179.97 179.79 1sf2 h GLN 412 N 0.52 0.08 -0.58 0.04 4.15 -1.03 0.45 115.11 118.73 1sf2 h GLN 412 Ca 0.14 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 1sf2 h GLN 412 Cb 0.14 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1sf2 h GLN 412 CO -0.02 0.05 0.32 0.78 -1.93 0.00 0.00 178.83 178.03 1sf2 h GLY 413 N 0.08 0.88 0.94 2.39 0.00 -1.06 -1.49 103.07 104.80 1sf2 h GLY 413 Ca 0.18 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 1sf2 h GLY 413 CO -0.32 0.38 -0.02 1.41 0.00 0.00 0.00 176.54 178.00 1sf2 h LEU 414 N 0.79 0.68 -1.11 3.11 3.38 -1.06 -0.64 115.31 120.45 1sf2 h LEU 414 Ca 0.21 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1sf2 h LEU 414 Cb 0.05 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1sf2 h LEU 414 CO -0.03 0.83 0.61 -0.08 0.09 0.00 0.00 178.44 179.86 1sf2 h GLU 415 N 0.51 1.09 -0.24 1.13 4.22 -0.73 0.52 114.58 121.08 1sf2 h GLU 415 Ca 0.11 -0.07 -0.05 0.00 0.08 0.00 0.00 59.36 59.43 1sf2 h GLU 415 Cb 0.50 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1sf2 h GLU 415 CO 0.02 0.72 -0.05 0.82 -2.18 0.00 0.00 179.01 178.35 1sf2 h ILE 416 N 1.12 1.28 -0.82 2.32 2.04 -1.00 -0.26 117.51 122.20 1sf2 h ILE 416 Ca 0.38 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 65.24 1sf2 h ILE 416 Cb 0.08 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1sf2 h ILE 416 CO -0.13 0.32 0.52 0.40 0.00 0.00 0.00 178.15 179.27 1sf2 h ILE 417 N 0.19 1.14 -0.22 -0.67 2.04 -0.10 -0.21 117.51 119.69 1sf2 h ILE 417 Ca 0.06 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1sf2 h ILE 417 Cb 0.50 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1sf2 h ILE 417 CO 0.02 0.19 0.14 -1.28 0.00 0.00 0.00 178.15 177.22 1sf2 h SER 418 N 1.03 0.23 -0.51 1.72 0.87 0.25 -2.25 113.55 114.89 1sf2 h SER 418 Ca 0.32 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 1sf2 h SER 418 Cb -0.00 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1sf2 h SER 418 CO -0.11 0.17 0.28 1.56 -0.53 0.00 0.00 176.83 178.20 1sf2 h GLN 419 N 0.28 0.74 -0.28 2.24 4.20 -0.24 -2.25 115.11 119.80 1sf2 h GLN 419 Ca 0.08 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1sf2 h GLN 419 Cb -0.02 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1sf2 h GLN 419 CO -0.02 0.55 0.13 0.00 -0.67 0.00 0.00 178.83 178.81 1sf2 h PHE 421 N 0.31 0.48 0.10 0.00 -1.00 -1.20 -1.68 116.94 113.94 1sf2 h PHE 421 Ca 0.09 -0.04 0.02 0.00 2.81 0.00 0.00 57.97 60.85 1sf2 h PHE 421 Cb 0.14 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 39.52 1sf2 h PHE 421 CO -0.02 0.48 -0.36 -0.44 -1.61 0.00 0.00 178.31 176.36 1sf2 h ASP 422 N 0.34 -1.05 0.47 2.17 5.19 -1.22 -1.60 116.42 120.73 1sf2 h ASP 422 Ca 0.10 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1sf2 h ASP 422 Cb 0.21 0.40 0.00 0.00 0.18 0.00 0.00 39.33 40.12 1sf2 h ASP 422 CO -0.01 -0.44 0.00 -0.33 -3.12 0.00 0.00 179.24 175.35 1sf2 h GLU 423 N -0.57 0.00 -0.00 3.56 5.08 -1.00 -1.86 114.58 119.79 1sf2 h GLU 423 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1sf2 h GLU 423 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1sf2 h GLU 423 CO -0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 177.78 1sf2 n ALA 424 N -1.97 2.50 0.01 3.43 0.00 -0.61 -4.10 120.51 119.77 1sf2 n ALA 424 Ca -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 1sf2 n ALA 424 Cb 0.17 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.13 1sf2 n ALA 424 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1sf2 h LYS 425 N 0.03 -0.12 0.00 0.00 1.57 -1.24 -3.51 116.57 113.30 1sf2 h LYS 425 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1sf2 h LYS 425 Cb 0.30 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1sf2 h LYS 425 CO 0.00 -0.08 0.00 0.00 -0.57 0.00 0.00 179.45 178.80