#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x54 s ILE 2 N 0.00 3.85 0.44 1.12 2.07 -1.26 -4.96 121.20 122.46 1x54 s ILE 2 Ca 0.00 1.11 -0.24 0.00 -1.41 0.00 0.00 60.65 60.12 1x54 s ILE 2 Cb 0.00 -3.72 -0.08 0.00 0.13 0.00 0.00 42.46 38.80 1x54 s ILE 2 CO 0.00 -0.06 1.17 -1.61 -1.91 0.00 0.00 174.94 172.52 1x54 s GLU 3 N 3.27 3.85 0.26 3.50 0.41 -1.26 -5.04 118.70 123.69 1x54 s GLU 3 Ca 0.64 1.79 0.08 0.00 -0.41 0.00 0.00 54.97 57.07 1x54 s GLU 3 Cb -0.29 -2.49 -0.04 0.00 -1.78 0.00 0.00 34.13 29.53 1x54 s GLU 3 CO 0.24 -0.48 0.13 -1.59 -0.49 0.00 0.00 175.26 173.07 1x54 s LYS 4 N -2.58 2.71 -0.21 1.61 -2.85 -1.26 -4.77 119.74 112.40 1x54 s LYS 4 Ca 0.62 -1.18 -0.07 0.00 -1.00 0.00 0.00 55.97 54.33 1x54 s LYS 4 Cb -0.29 -2.43 -0.03 0.00 -2.06 0.00 0.00 37.83 33.02 1x54 s LYS 4 CO 0.36 0.38 0.06 0.08 0.10 0.00 0.00 175.35 176.32 1x54 s VAL 5 N -2.20 4.50 0.52 1.79 1.01 0.35 -4.97 120.40 121.39 1x54 s VAL 5 Ca 0.33 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.99 1x54 s VAL 5 Cb -0.07 -3.05 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 1x54 s VAL 5 CO 0.23 0.41 1.08 -0.31 0.00 0.00 0.00 175.10 176.51 1x54 s TYR 6 N 0.92 2.86 0.28 5.22 2.02 -1.26 -4.46 117.35 122.93 1x54 s TYR 6 Ca 0.03 1.56 0.01 0.00 -0.37 0.00 0.00 57.07 58.31 1x54 s TYR 6 Cb -0.14 -3.15 0.58 0.00 -0.40 0.00 0.00 41.96 38.85 1x54 s TYR 6 CO 0.03 -1.15 1.81 0.00 -1.57 0.00 0.00 175.55 174.67 1x54 h GLN 8 N 0.87 0.00 0.00 0.00 3.07 -1.89 -1.29 115.11 115.87 1x54 h GLN 8 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.24 1x54 h GLN 8 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.15 1x54 h GLN 8 CO -0.30 0.00 -0.33 0.39 0.09 0.00 0.00 178.83 178.68 1x54 n GLU 9 N -2.83 0.14 -2.55 0.06 1.02 0.00 -4.70 120.64 111.78 1x54 n GLU 9 Ca -0.02 0.07 -0.41 0.00 -0.02 0.00 0.00 57.16 56.78 1x54 n GLU 9 Cb 0.11 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 29.88 1x54 n GLU 9 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1x54 s VAL 10 N -3.07 3.78 0.17 2.62 1.01 -0.49 -4.92 120.40 119.51 1x54 s VAL 10 Ca 0.10 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.22 1x54 s VAL 10 Cb 0.16 -4.96 -0.04 0.00 0.00 0.00 0.00 36.38 31.53 1x54 s VAL 10 CO 0.65 -1.88 -0.17 -0.54 0.00 0.00 0.00 175.10 173.16 1x54 s LYS 11 N 5.51 1.27 0.52 2.72 1.02 -1.26 -4.70 119.74 124.82 1x54 s LYS 11 Ca 0.38 -1.45 0.26 0.00 0.02 0.00 0.00 55.97 55.17 1x54 s LYS 11 Cb -0.06 -1.22 1.38 0.00 -0.52 0.00 0.00 37.83 37.41 1x54 s LYS 11 CO 0.08 0.23 1.97 -1.35 -0.92 0.00 0.00 175.35 175.35 1x54 h PRO 12 N 3.04 0.04 0.00 -1.68 0.11 -1.77 -0.99 132.00 130.75 1x54 h PRO 12 Ca -0.41 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1x54 h PRO 12 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1x54 h PRO 12 CO 0.55 0.03 0.00 -0.85 -0.21 0.00 0.00 178.00 177.52 1x54 n GLU 13 N -4.37 0.16 -0.11 1.05 0.00 -1.26 -1.49 120.64 114.62 1x54 n GLU 13 Ca 0.12 0.49 0.08 0.00 0.00 0.00 0.00 57.16 57.85 1x54 n GLU 13 Cb 0.67 -1.87 0.27 0.00 0.00 0.00 0.00 31.44 30.51 1x54 n GLU 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1x54 n LEU 14 N -2.19 1.52 -4.63 -1.84 4.77 -0.38 -4.95 117.00 109.30 1x54 n LEU 14 Ca 0.01 -0.70 -0.58 0.00 -0.03 0.00 0.00 56.01 54.70 1x54 n LEU 14 Cb 0.15 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 1x54 n LEU 14 CO 0.15 0.35 0.99 -0.67 -1.33 0.00 0.00 177.39 176.89 1x54 n ASP 15 N 0.27 1.38 0.00 -1.43 2.03 -0.56 -0.99 116.55 117.26 1x54 n ASP 15 Ca 0.13 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.57 1x54 n ASP 15 Cb 0.27 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 1x54 n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x54 n GLY 16 N 3.04 0.99 3.89 0.27 0.00 0.34 -4.99 105.19 108.73 1x54 n GLY 16 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 1x54 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x54 s LYS 17 N -0.51 3.58 0.15 1.61 1.02 -0.16 -4.83 119.74 120.58 1x54 s LYS 17 Ca 0.00 -0.10 -0.30 0.00 0.02 0.00 0.00 55.97 55.59 1x54 s LYS 17 Cb 0.00 -3.05 -0.07 0.00 -0.52 0.00 0.00 37.83 34.19 1x54 s LYS 17 CO 0.00 0.62 1.04 0.15 -0.92 0.00 0.00 175.35 176.24 1x54 s LYS 18 N -1.92 4.64 0.10 1.68 1.02 -1.26 -1.22 119.74 122.78 1x54 s LYS 18 Ca 0.30 1.60 0.03 0.00 0.02 0.00 0.00 55.97 57.92 1x54 s LYS 18 Cb -0.13 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 1x54 s LYS 18 CO 0.18 0.13 -0.09 0.14 -0.92 0.00 0.00 175.35 174.79 1x54 s VAL 19 N -0.10 0.91 -0.26 3.17 -7.23 0.04 -4.97 120.40 111.95 1x54 s VAL 19 Ca 0.49 -1.71 0.03 0.00 -1.81 0.00 0.00 61.98 58.97 1x54 s VAL 19 Cb -0.27 -1.44 0.06 0.00 0.56 0.00 0.00 36.38 35.30 1x54 s VAL 19 CO 0.32 -0.62 -0.10 -0.60 -0.31 0.00 0.00 175.10 173.79 1x54 s ARG 20 N -3.02 2.18 0.29 4.82 3.52 -1.26 -1.77 118.95 123.71 1x54 s ARG 20 Ca 0.07 -1.38 -0.10 0.00 -0.13 0.00 0.00 55.73 54.20 1x54 s ARG 20 Cb -0.01 -2.90 -0.07 0.00 -1.56 0.00 0.00 34.95 30.40 1x54 s ARG 20 CO -0.01 -0.60 0.62 -0.51 -0.81 0.00 0.00 175.30 174.00 1x54 s LEU 21 N 1.09 4.07 -0.11 -0.88 1.43 0.12 -0.49 118.68 123.91 1x54 s LEU 21 Ca -0.08 0.97 -0.04 0.00 -1.03 0.00 0.00 54.13 53.96 1x54 s LEU 21 Cb -0.20 -3.77 0.05 0.00 0.03 0.00 0.00 46.19 42.31 1x54 s LEU 21 CO -0.05 -0.18 0.17 0.00 0.23 0.00 0.00 176.35 176.52 1x54 s ALA 22 N -2.00 -0.16 0.00 4.21 0.00 -1.26 -1.08 121.76 121.47 1x54 s ALA 22 Ca 0.48 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1x54 s ALA 22 Cb -0.11 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1x54 s ALA 22 CO 0.24 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1x54 n GLY 23 N 5.32 1.14 3.07 0.00 0.00 -0.74 -4.79 105.19 109.20 1x54 n GLY 23 Ca -0.05 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 1x54 n GLY 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x54 s TRP 24 N -0.51 1.00 0.10 1.61 0.51 -0.38 -1.21 118.94 120.05 1x54 s TRP 24 Ca 0.00 -0.22 -0.31 0.00 -2.12 0.00 0.00 56.10 53.45 1x54 s TRP 24 Cb 0.00 -0.63 -0.09 0.00 -0.81 0.00 0.00 33.47 31.94 1x54 s TRP 24 CO 0.00 -0.01 1.61 0.08 -0.51 0.00 0.00 176.95 178.12 1x54 s VAL 25 N -0.40 2.92 -0.23 4.03 1.01 0.15 -0.31 120.40 127.57 1x54 s VAL 25 Ca 0.03 0.50 -0.15 0.00 0.00 0.00 0.00 61.98 62.36 1x54 s VAL 25 Cb -0.05 -3.32 -0.17 0.00 0.00 0.00 0.00 36.38 32.84 1x54 s VAL 25 CO -0.00 0.01 -0.04 0.00 0.00 0.00 0.00 175.10 175.07 1x54 n TYR 26 N 5.02 0.55 -3.93 5.22 4.19 0.96 -0.46 117.16 128.71 1x54 n TYR 26 Ca 0.15 0.21 -0.08 0.00 3.31 0.00 0.00 57.90 61.48 1x54 n TYR 26 Cb 0.40 -1.06 -0.08 0.00 0.49 0.00 0.00 39.34 39.09 1x54 n TYR 26 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 1x54 s THR 27 N -2.46 0.16 -0.12 2.97 -4.23 -1.16 -4.78 115.64 106.03 1x54 s THR 27 Ca -0.33 -1.34 -0.04 0.00 -1.18 0.00 0.00 61.69 58.81 1x54 s THR 27 Cb 0.10 -1.32 0.05 0.00 1.34 0.00 0.00 72.50 72.67 1x54 s THR 27 CO 0.57 -0.74 0.10 0.21 -0.54 0.00 0.00 174.62 174.23 1x54 s ASN 28 N -2.76 1.62 0.00 3.99 3.84 -1.26 -1.02 114.94 119.34 1x54 s ASN 28 Ca 0.04 -0.21 0.01 0.00 0.21 0.00 0.00 52.86 52.91 1x54 s ASN 28 Cb 0.05 -0.07 -0.00 0.00 -0.55 0.00 0.00 41.25 40.67 1x54 s ASN 28 CO -0.10 -0.30 -0.04 -0.04 -2.79 0.00 0.00 177.10 173.84 1x54 s MET 29 N 2.19 0.30 -0.09 0.43 -1.94 -0.56 -5.00 119.30 114.64 1x54 s MET 29 Ca 0.04 -0.19 -0.27 0.00 -1.71 0.00 0.00 55.69 53.56 1x54 s MET 29 Cb -0.14 -0.26 -0.02 0.00 2.01 0.00 0.00 34.83 36.41 1x54 s MET 29 CO -0.07 0.07 0.86 0.50 -0.01 0.00 0.00 175.02 176.37 1x54 s ARG 30 N -0.24 4.43 -0.19 2.03 3.52 -1.26 -0.19 118.95 127.04 1x54 s ARG 30 Ca -0.00 1.15 -0.00 0.00 -0.13 0.00 0.00 55.73 56.74 1x54 s ARG 30 Cb -0.02 -3.50 0.05 0.00 -1.56 0.00 0.00 34.95 29.91 1x54 s ARG 30 CO -0.00 -0.14 -0.06 0.08 -0.81 0.00 0.00 175.30 174.36 1x54 s VAL 31 N 1.46 1.30 0.00 7.11 1.01 0.28 -4.94 120.40 126.61 1x54 s VAL 31 Ca 0.43 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1x54 s VAL 31 Cb -0.18 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1x54 s VAL 31 CO 0.19 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1x54 n GLY 32 N 4.80 3.66 0.29 4.51 0.00 -1.26 -1.38 105.19 115.81 1x54 n GLY 32 Ca -0.13 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 45.99 1x54 n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x54 n LYS 33 N 14.00 1.12 -4.19 1.61 4.76 -1.26 -4.96 118.16 129.24 1x54 n LYS 33 Ca 0.00 -0.58 -0.22 0.00 -2.87 0.00 0.00 58.31 54.63 1x54 n LYS 33 Cb 0.00 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 31.64 1x54 n LYS 33 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1x54 s LYS 34 N -2.29 2.57 -0.23 1.97 1.02 -0.48 -4.71 119.74 117.60 1x54 s LYS 34 Ca 0.32 -1.28 -0.09 0.00 0.02 0.00 0.00 55.97 54.94 1x54 s LYS 34 Cb 0.20 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1x54 s LYS 34 CO 0.44 0.35 0.13 0.42 -0.92 0.00 0.00 175.35 175.76 1x54 s ILE 35 N -2.25 5.05 -0.33 2.17 1.01 -0.43 -0.56 121.20 125.85 1x54 s ILE 35 Ca 0.33 0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.93 1x54 s ILE 35 Cb -0.07 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 1x54 s ILE 35 CO 0.22 0.36 0.22 -0.36 0.00 0.00 0.00 174.94 175.38 1x54 s PHE 36 N 1.10 3.22 -0.29 3.97 0.40 0.73 -0.33 117.98 126.78 1x54 s PHE 36 Ca 0.06 -0.29 -0.10 0.00 -0.60 0.00 0.00 56.93 56.00 1x54 s PHE 36 Cb -0.14 -2.44 -0.03 0.00 0.51 0.00 0.00 43.02 40.92 1x54 s PHE 36 CO 0.04 -0.38 0.15 -0.51 0.70 0.00 0.00 175.22 175.23 1x54 s LEU 37 N 1.70 3.93 -0.18 -0.37 1.43 0.22 -1.49 118.68 123.92 1x54 s LEU 37 Ca 0.06 -0.23 -0.22 0.00 -1.03 0.00 0.00 54.13 52.71 1x54 s LEU 37 Cb -0.17 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 1x54 s LEU 37 CO 0.09 -0.10 0.69 0.26 0.23 0.00 0.00 176.35 177.52 1x54 s TRP 38 N 1.68 3.41 -0.18 0.29 0.52 -0.19 -0.13 118.94 124.34 1x54 s TRP 38 Ca 0.06 1.05 -0.04 0.00 0.02 0.00 0.00 56.10 57.19 1x54 s TRP 38 Cb -0.16 -2.86 -0.02 0.00 -1.15 0.00 0.00 33.47 29.28 1x54 s TRP 38 CO 0.08 -0.17 -0.04 0.42 0.02 0.00 0.00 176.95 177.26 1x54 s ILE 39 N 1.86 3.67 -0.00 2.03 1.01 0.39 -0.03 121.20 130.14 1x54 s ILE 39 Ca 0.32 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 1x54 s ILE 39 Cb -0.16 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1x54 s ILE 39 CO 0.11 0.46 0.17 0.00 0.00 0.00 0.00 174.94 175.69 1x54 s ARG 40 N 0.77 3.36 0.00 2.79 1.70 0.57 -1.17 118.95 126.98 1x54 s ARG 40 Ca -0.02 -0.37 0.00 0.00 -0.47 0.00 0.00 55.73 54.88 1x54 s ARG 40 Cb -0.15 -3.05 0.00 0.00 -0.57 0.00 0.00 34.95 31.19 1x54 s ARG 40 CO 0.02 0.66 0.00 -0.40 -1.08 0.00 0.00 175.30 174.50 1x54 n ASP 41 N 0.92 0.42 0.00 -2.89 3.85 -0.34 -1.25 116.55 117.26 1x54 n ASP 41 Ca -0.11 -0.49 0.07 0.00 -0.71 0.00 0.00 54.79 53.56 1x54 n ASP 41 Cb 0.52 0.00 0.36 0.00 -1.35 0.00 0.00 41.12 40.66 1x54 n ASP 41 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1x54 n SER 42 N -1.26 0.00 -0.00 -1.12 3.41 -1.26 -3.30 113.62 110.09 1x54 n SER 42 Ca 0.00 0.25 0.02 0.00 -0.26 0.00 0.00 58.87 58.88 1x54 n SER 42 Cb 0.00 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.55 1x54 n SER 42 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1x54 n THR 43 N -1.38 0.00 -3.98 6.66 -2.24 -1.26 -5.11 114.28 106.97 1x54 n THR 43 Ca 0.06 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1x54 n THR 43 Cb 0.15 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1x54 n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x54 n GLY 44 N 1.34 -0.85 2.98 3.38 0.00 -1.21 -4.20 105.19 106.63 1x54 n GLY 44 Ca 0.00 -1.17 -0.22 0.00 0.00 0.00 0.00 46.02 44.64 1x54 n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x54 s ILE 45 N -3.00 0.86 -0.02 -0.61 1.01 -1.26 -1.19 121.20 116.99 1x54 s ILE 45 Ca 0.00 -0.34 0.07 0.00 0.00 0.00 0.00 60.65 60.38 1x54 s ILE 45 Cb 0.00 -0.81 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 1x54 s ILE 45 CO 0.00 0.29 -0.23 -0.69 0.00 0.00 0.00 174.94 174.31 1x54 s VAL 46 N 0.62 1.80 -0.26 2.92 1.01 -0.31 -4.88 120.40 121.30 1x54 s VAL 46 Ca -0.11 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.62 1x54 s VAL 46 Cb -0.14 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.75 1x54 s VAL 46 CO 0.02 0.51 0.96 -1.58 0.00 0.00 0.00 175.10 175.01 1x54 s GLN 47 N -0.52 4.16 -0.22 2.72 0.74 -1.26 -0.46 119.66 124.81 1x54 s GLN 47 Ca 0.08 1.09 -0.05 0.00 0.05 0.00 0.00 55.36 56.53 1x54 s GLN 47 Cb -0.09 -3.67 -0.02 0.00 1.10 0.00 0.00 33.01 30.33 1x54 s GLN 47 CO -0.01 -0.67 -0.01 0.00 -0.55 0.00 0.00 175.29 174.06 1x54 s ALA 48 N 3.18 2.95 -0.27 1.58 0.00 0.82 -0.94 121.76 129.08 1x54 s ALA 48 Ca 0.40 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 1x54 s ALA 48 Cb -0.14 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 1x54 s ALA 48 CO 0.09 -0.37 0.21 0.08 0.00 0.00 0.00 175.76 175.77 1x54 s VAL 49 N 1.39 5.31 -0.27 0.00 1.01 0.84 -0.61 120.40 128.06 1x54 s VAL 49 Ca 0.05 0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 1x54 s VAL 49 Cb -0.15 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1x54 s VAL 49 CO -0.00 0.27 0.01 -0.69 0.00 0.00 0.00 175.10 174.69 1x54 s VAL 50 N 1.60 3.45 -0.14 2.92 1.01 0.55 -1.06 120.40 128.73 1x54 s VAL 50 Ca 0.08 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1x54 s VAL 50 Cb -0.15 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1x54 s VAL 50 CO 0.09 0.13 -0.08 0.00 0.00 0.00 0.00 175.10 175.24 1x54 s ALA 51 N 1.41 2.82 0.25 5.51 0.00 -1.26 -1.32 121.76 129.17 1x54 s ALA 51 Ca 0.01 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 1x54 s ALA 51 Cb -0.17 -1.37 0.37 0.00 0.00 0.00 0.00 23.12 21.96 1x54 s ALA 51 CO -0.01 0.26 1.85 -0.22 0.00 0.00 0.00 175.76 177.64 1x54 h LYS 52 N 6.58 0.94 0.00 0.00 3.64 -1.89 -1.21 116.57 124.63 1x54 h LYS 52 Ca -0.30 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1x54 h LYS 52 Cb 1.20 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1x54 h LYS 52 CO 0.59 0.62 0.00 0.27 -2.27 0.00 0.00 179.45 178.66 1x54 n ASN 53 N -4.63 0.00 -0.13 4.20 0.23 -1.26 -0.72 115.26 112.96 1x54 n ASN 53 Ca 0.14 -0.03 -0.26 0.00 -0.53 0.00 0.00 54.58 53.90 1x54 n ASN 53 Cb 0.21 -0.29 -0.09 0.00 -2.08 0.00 0.00 39.78 37.52 1x54 n ASN 53 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1x54 n VAL 54 N -1.29 1.39 0.36 3.53 0.31 -0.59 -4.68 118.33 117.36 1x54 n VAL 54 Ca 0.11 -0.38 0.12 0.00 -0.01 0.00 0.00 64.34 64.18 1x54 n VAL 54 Cb 0.19 -1.77 0.08 0.00 -0.91 0.00 0.00 33.84 31.43 1x54 n VAL 54 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1x54 h VAL 55 N -0.78 0.00 0.00 2.52 -1.51 -1.28 -3.49 116.25 111.71 1x54 h VAL 55 Ca -0.63 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.12 1x54 h VAL 55 Cb 1.60 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 32.01 1x54 h VAL 55 CO -0.35 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.60 1x54 n GLY 56 N 1.27 0.09 0.22 5.19 0.00 0.10 -4.40 105.19 107.67 1x54 n GLY 56 Ca 0.02 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.33 1x54 n GLY 56 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1x54 h GLU 57 N 0.00 0.51 0.06 1.61 4.81 -1.97 -1.16 114.58 118.44 1x54 h GLU 57 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1x54 h GLU 57 Cb 0.00 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1x54 h GLU 57 CO 0.00 0.34 -0.03 1.49 -0.73 0.00 0.00 179.01 180.08 1x54 h GLU 58 N 0.53 -0.08 -0.69 1.92 4.81 -1.96 -0.23 114.58 118.89 1x54 h GLU 58 Ca 0.26 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.43 1x54 h GLU 58 Cb 0.19 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1x54 h GLU 58 CO -0.19 -0.00 0.17 1.15 -0.73 0.00 0.00 179.01 179.40 1x54 h THR 59 N -0.13 1.26 -0.55 0.32 2.02 -1.74 -2.01 112.91 112.08 1x54 h THR 59 Ca -0.01 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 1x54 h THR 59 Cb 0.11 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1x54 h THR 59 CO 0.01 0.37 0.27 0.15 0.37 0.00 0.00 175.52 176.69 1x54 h PHE 60 N 1.04 0.78 -0.51 3.16 3.57 -0.89 -0.13 116.94 123.96 1x54 h PHE 60 Ca 0.22 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 1x54 h PHE 60 Cb 0.36 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1x54 h PHE 60 CO 0.03 0.59 0.04 0.93 -2.23 0.00 0.00 178.31 177.67 1x54 h GLU 61 N 0.74 0.83 -0.67 1.11 4.39 -0.89 -2.01 114.58 118.09 1x54 h GLU 61 Ca 0.19 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 1x54 h GLU 61 Cb 0.10 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1x54 h GLU 61 CO -0.03 0.81 0.21 0.87 -1.16 0.00 0.00 179.01 179.71 1x54 h LYS 62 N 0.78 1.04 -0.54 2.33 1.57 -0.83 -2.90 116.57 118.01 1x54 h LYS 62 Ca 0.16 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1x54 h LYS 62 Cb 0.41 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1x54 h LYS 62 CO 0.01 0.90 0.20 0.00 -0.57 0.00 0.00 179.45 179.99 1x54 h ALA 63 N 1.09 1.33 -0.17 3.86 0.00 -0.60 -1.97 119.26 122.80 1x54 h ALA 63 Ca 0.21 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1x54 h ALA 63 Cb 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1x54 h ALA 63 CO -0.01 0.49 0.12 0.87 0.00 0.00 0.00 179.25 180.73 1x54 h LYS 64 N 0.78 0.02 -0.08 0.00 1.57 -1.16 -2.74 116.57 114.95 1x54 h LYS 64 Ca 0.18 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1x54 h LYS 64 Cb 0.19 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1x54 h LYS 64 CO -0.01 0.02 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 1x54 n LYS 65 N -4.49 1.85 -2.72 3.15 5.02 -0.74 -4.87 118.16 115.37 1x54 n LYS 65 Ca 0.01 -1.26 -0.43 0.00 -2.02 0.00 0.00 58.31 54.61 1x54 n LYS 65 Cb 0.23 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 1x54 n LYS 65 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x54 s LEU 66 N -1.86 3.85 0.00 -0.35 1.43 -1.04 -4.75 118.68 115.96 1x54 s LEU 66 Ca 0.35 0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1x54 s LEU 66 Cb 0.20 -3.38 0.14 0.00 0.03 0.00 0.00 46.19 43.19 1x54 s LEU 66 CO 0.31 -1.09 0.98 0.61 0.23 0.00 0.00 176.35 177.39 1x54 n GLY 67 N 4.73 0.52 3.71 -3.19 0.00 0.03 -4.74 105.19 106.25 1x54 n GLY 67 Ca 0.09 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 1x54 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x54 n ARG 68 N -2.83 2.36 -0.97 1.61 1.74 -1.26 -1.96 116.66 115.36 1x54 n ARG 68 Ca 0.16 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 58.08 1x54 n ARG 68 Cb 0.57 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 1x54 n ARG 68 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1x54 n GLU 69 N 1.71 -0.19 -1.69 5.56 -0.58 0.40 -4.52 120.64 121.33 1x54 n GLU 69 Ca 0.08 0.05 -0.44 0.00 -0.42 0.00 0.00 57.16 56.43 1x54 n GLU 69 Cb 0.35 -3.12 -0.03 0.00 -0.57 0.00 0.00 31.44 28.07 1x54 n GLU 69 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1x54 n SER 70 N -0.09 3.35 -4.74 1.62 7.64 -0.83 -4.64 113.62 115.93 1x54 n SER 70 Ca 0.00 1.09 -0.39 0.00 1.01 0.00 0.00 58.87 60.59 1x54 n SER 70 Cb 0.05 -1.48 -0.06 0.00 -1.01 0.00 0.00 64.21 61.71 1x54 n SER 70 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x54 s SER 71 N 0.84 6.84 0.02 6.43 1.04 -0.10 -0.67 113.70 128.10 1x54 s SER 71 Ca 0.75 1.00 -0.04 0.00 0.48 0.00 0.00 55.95 58.14 1x54 s SER 71 Cb -0.61 -2.34 -0.01 0.00 0.10 0.00 0.00 66.02 63.16 1x54 s SER 71 CO 0.39 0.01 0.06 0.68 0.98 0.00 0.00 173.24 175.36 1x54 s VAL 72 N 0.37 0.10 -0.12 5.02 -7.23 -0.35 -0.48 120.40 117.71 1x54 s VAL 72 Ca 0.30 -0.86 -0.00 0.00 -1.81 0.00 0.00 61.98 59.61 1x54 s VAL 72 Cb -0.17 -0.43 -0.02 0.00 0.56 0.00 0.00 36.38 36.32 1x54 s VAL 72 CO 0.14 -0.47 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.72 1x54 s ILE 73 N -1.61 3.30 -0.11 -0.62 -1.09 -0.07 -1.79 121.20 119.20 1x54 s ILE 73 Ca -0.14 -0.59 0.01 0.00 -2.23 0.00 0.00 60.65 57.70 1x54 s ILE 73 Cb -0.08 -2.38 0.02 0.00 -1.58 0.00 0.00 42.46 38.44 1x54 s ILE 73 CO -0.00 0.53 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.43 1x54 s VAL 74 N 0.08 1.33 -0.10 2.92 1.01 -0.24 -0.71 120.40 124.69 1x54 s VAL 74 Ca -0.04 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1x54 s VAL 74 Cb -0.14 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1x54 s VAL 74 CO 0.04 0.41 -0.07 -1.61 0.00 0.00 0.00 175.10 173.87 1x54 s GLU 75 N 1.25 3.13 0.01 2.72 2.02 -0.15 0.11 118.70 127.80 1x54 s GLU 75 Ca -0.02 -0.56 -0.02 0.00 0.02 0.00 0.00 54.97 54.38 1x54 s GLU 75 Cb -0.14 -2.69 0.01 0.00 0.10 0.00 0.00 34.13 31.40 1x54 s GLU 75 CO -0.05 0.46 0.11 0.41 0.02 0.00 0.00 175.26 176.22 1x54 n GLY 76 N 2.84 1.00 3.47 -1.39 0.00 -0.73 -0.27 105.19 110.11 1x54 n GLY 76 Ca -0.18 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 1x54 n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x54 s ILE 77 N -2.38 3.66 0.18 -0.61 1.09 -0.51 -0.78 121.20 121.85 1x54 s ILE 77 Ca 0.03 -0.45 -0.30 0.00 -1.10 0.00 0.00 60.65 58.83 1x54 s ILE 77 Cb -0.00 -2.58 -0.08 0.00 -1.06 0.00 0.00 42.46 38.74 1x54 s ILE 77 CO 0.00 0.51 1.20 -0.69 -0.10 0.00 0.00 174.94 175.87 1x54 s VAL 78 N 0.27 3.56 -0.11 2.92 1.01 -0.35 -0.13 120.40 127.55 1x54 s VAL 78 Ca -0.05 1.30 0.02 0.00 0.00 0.00 0.00 61.98 63.25 1x54 s VAL 78 Cb -0.14 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.42 1x54 s VAL 78 CO 0.04 0.21 -0.16 -0.75 0.00 0.00 0.00 175.10 174.43 1x54 s LYS 79 N -0.21 2.28 0.04 2.72 2.20 0.44 -0.51 119.74 126.71 1x54 s LYS 79 Ca 0.53 -0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 55.25 1x54 s LYS 79 Cb -0.33 -1.93 -0.06 0.00 -1.51 0.00 0.00 37.83 34.00 1x54 s LYS 79 CO 0.37 -0.06 1.41 0.00 -0.36 0.00 0.00 175.35 176.71 1x54 s ALA 80 N 0.97 3.59 -0.24 3.13 0.00 -1.26 -1.18 121.76 126.77 1x54 s ALA 80 Ca -0.07 0.97 -0.07 0.00 0.00 0.00 0.00 51.96 52.78 1x54 s ALA 80 Cb -0.15 -3.58 0.11 0.00 0.00 0.00 0.00 23.12 19.49 1x54 s ALA 80 CO -0.02 -0.84 0.50 0.34 0.00 0.00 0.00 175.76 175.74 1x54 s ASP 81 N 1.72 -0.55 0.57 0.00 3.68 -0.17 -4.95 116.67 116.96 1x54 s ASP 81 Ca 0.65 1.14 0.29 0.00 2.13 0.00 0.00 52.55 56.76 1x54 s ASP 81 Cb -0.33 1.67 1.71 0.00 -1.45 0.00 0.00 42.92 44.51 1x54 s ASP 81 CO 0.28 -0.23 2.19 -0.33 0.13 0.00 0.00 175.17 177.21 1x54 h GLU 82 N 8.11 0.00 0.00 4.34 4.39 -1.95 -1.93 114.58 127.54 1x54 h GLU 82 Ca -0.17 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.47 1x54 h GLU 82 Cb 1.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 1x54 h GLU 82 CO 0.13 0.05 -0.30 -0.09 -1.16 0.00 0.00 179.01 177.63 1x54 h ARG 83 N 0.00 0.00 -7.07 2.33 2.43 -1.96 -3.43 114.38 106.67 1x54 h ARG 83 Ca -0.00 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.72 1x54 h ARG 83 Cb 0.13 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1x54 h ARG 83 CO 0.01 0.30 0.35 0.00 -1.51 0.00 0.00 179.97 179.12 1x54 s ALA 84 N -3.40 3.00 0.18 2.80 0.00 -0.73 -4.98 121.76 118.63 1x54 s ALA 84 Ca 0.02 0.44 -0.33 0.00 0.00 0.00 0.00 51.96 52.09 1x54 s ALA 84 Cb 0.09 -3.17 -0.15 0.00 0.00 0.00 0.00 23.12 19.89 1x54 s ALA 84 CO 0.68 -0.00 1.37 -2.30 0.00 0.00 0.00 175.76 175.50 1x54 n PRO 85 N -0.79 1.71 -0.90 0.00 -0.02 -1.26 -1.35 135.00 132.40 1x54 n PRO 85 Ca 0.08 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1x54 n PRO 85 Cb 0.54 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1x54 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x54 n GLY 86 N 2.44 0.32 2.18 -1.23 0.00 -1.26 -3.28 105.19 104.35 1x54 n GLY 86 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 1x54 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x54 n GLY 87 N -1.29 0.43 3.51 -0.02 0.00 -0.45 -4.43 105.19 102.95 1x54 n GLY 87 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1x54 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x54 s ALA 88 N -1.85 -1.55 0.38 4.61 0.00 -1.21 -1.00 121.76 121.14 1x54 s ALA 88 Ca 0.00 1.92 0.07 0.00 0.00 0.00 0.00 51.96 53.94 1x54 s ALA 88 Cb 0.00 -1.13 -0.07 0.00 0.00 0.00 0.00 23.12 21.92 1x54 s ALA 88 CO 0.00 -0.31 -0.01 -1.83 0.00 0.00 0.00 175.76 173.61 1x54 s GLU 89 N 0.94 1.86 -0.18 0.00 -1.05 -0.33 -4.60 118.70 115.34 1x54 s GLU 89 Ca -0.05 -2.02 -0.02 0.00 -0.15 0.00 0.00 54.97 52.73 1x54 s GLU 89 Cb -0.05 -1.50 -0.01 0.00 -0.44 0.00 0.00 34.13 32.13 1x54 s GLU 89 CO -0.08 -0.03 -0.10 0.08 0.95 0.00 0.00 175.26 176.08 1x54 s VAL 90 N -2.81 3.08 -0.46 1.83 1.01 -0.11 -0.42 120.40 122.52 1x54 s VAL 90 Ca 0.34 -0.62 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 1x54 s VAL 90 Cb 0.08 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 34.14 1x54 s VAL 90 CO 0.17 0.48 0.80 -1.00 0.00 0.00 0.00 175.10 175.55 1x54 s HIS 91 N 0.95 2.98 0.09 5.22 3.76 0.81 -0.11 115.29 128.99 1x54 s HIS 91 Ca -0.02 0.15 -0.31 0.00 -0.15 0.00 0.00 55.06 54.74 1x54 s HIS 91 Cb -0.15 -3.70 -0.07 0.00 1.11 0.00 0.00 32.58 29.77 1x54 s HIS 91 CO -0.01 -1.01 1.40 0.08 -0.85 0.00 0.00 174.74 174.35 1x54 s VAL 92 N 3.34 3.40 -0.20 -0.90 1.01 -0.23 -1.42 120.40 125.41 1x54 s VAL 92 Ca 0.30 0.97 0.03 0.00 0.00 0.00 0.00 61.98 63.28 1x54 s VAL 92 Cb -0.12 -3.62 -0.14 0.00 0.00 0.00 0.00 36.38 32.50 1x54 s VAL 92 CO 0.23 0.06 -0.16 -0.62 0.00 0.00 0.00 175.10 174.61 1x54 n GLU 93 N 4.31 0.61 -4.13 2.72 -0.58 0.63 -4.69 120.64 119.51 1x54 n GLU 93 Ca 0.12 0.11 -0.18 0.00 -0.42 0.00 0.00 57.16 56.78 1x54 n GLU 93 Cb 0.43 -1.41 -0.16 0.00 -0.57 0.00 0.00 31.44 29.73 1x54 n GLU 93 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1x54 s LYS 94 N -2.41 0.61 -0.15 3.49 2.36 -0.65 -4.71 119.74 118.28 1x54 s LYS 94 Ca -0.26 -0.10 0.00 0.00 -2.55 0.00 0.00 55.97 53.06 1x54 s LYS 94 Cb 0.07 -0.64 0.02 0.00 -1.05 0.00 0.00 37.83 36.23 1x54 s LYS 94 CO 0.50 -0.02 -0.14 -1.17 1.55 0.00 0.00 175.35 176.06 1x54 s LEU 95 N 0.59 1.72 -0.28 5.43 2.96 -1.26 -0.98 118.68 126.86 1x54 s LEU 95 Ca -0.07 -0.51 -0.07 0.00 -0.22 0.00 0.00 54.13 53.26 1x54 s LEU 95 Cb -0.11 -1.18 -0.01 0.00 0.50 0.00 0.00 46.19 45.39 1x54 s LEU 95 CO -0.00 -0.06 0.08 -0.70 -1.32 0.00 0.00 176.35 174.35 1x54 s GLU 96 N 1.48 3.36 -0.33 1.98 2.12 0.11 -5.01 118.70 122.42 1x54 s GLU 96 Ca 0.05 -0.68 -0.23 0.00 0.36 0.00 0.00 54.97 54.47 1x54 s GLU 96 Cb -0.13 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.89 1x54 s GLU 96 CO -0.11 -0.33 0.76 0.08 -0.54 0.00 0.00 175.26 175.12 1x54 s VAL 97 N 1.56 4.79 -0.12 3.70 1.01 -1.26 -0.89 120.40 129.20 1x54 s VAL 97 Ca 0.05 0.98 -0.11 0.00 0.00 0.00 0.00 61.98 62.90 1x54 s VAL 97 Cb -0.16 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 31.97 1x54 s VAL 97 CO 0.03 -0.32 0.27 0.40 0.00 0.00 0.00 175.10 175.49 1x54 h ILE 98 N 5.66 0.65 -2.96 2.22 2.04 -1.14 -3.46 117.51 120.52 1x54 h ILE 98 Ca -0.25 -1.50 -0.28 0.00 1.00 0.00 0.00 64.86 63.83 1x54 h ILE 98 Cb 1.10 1.24 -0.35 0.00 -0.74 0.00 0.00 36.82 38.07 1x54 h ILE 98 CO 0.88 0.22 -0.61 -1.58 0.00 0.00 0.00 178.15 177.06 1x54 s GLN 99 N -1.81 0.08 0.28 2.37 0.74 -1.03 -4.98 119.66 115.30 1x54 s GLN 99 Ca -0.07 0.55 -0.29 0.00 0.05 0.00 0.00 55.36 55.60 1x54 s GLN 99 Cb -0.01 -0.36 -0.10 0.00 1.10 0.00 0.00 33.01 33.65 1x54 s GLN 99 CO 0.26 -0.35 1.16 0.00 -0.55 0.00 0.00 175.29 175.80 1x54 s ALA 100 N 2.33 3.43 -0.01 1.58 0.00 -1.26 -0.92 121.76 126.90 1x54 s ALA 100 Ca 0.03 0.99 0.03 0.00 0.00 0.00 0.00 51.96 53.01 1x54 s ALA 100 Cb -0.13 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1x54 s ALA 100 CO -0.07 -0.29 -0.10 0.08 0.00 0.00 0.00 175.76 175.37 1x54 s VAL 101 N -1.03 0.84 0.00 0.00 1.01 -1.26 -4.93 120.40 115.02 1x54 s VAL 101 Ca 0.46 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1x54 s VAL 101 Cb -0.34 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1x54 s VAL 101 CO 0.43 0.24 0.00 -1.54 0.00 0.00 0.00 175.10 174.24 1x54 n SER 102 N 2.95 1.61 -2.46 3.32 3.41 -1.26 -0.79 113.62 120.40 1x54 n SER 102 Ca -0.15 -0.17 -0.20 0.00 -0.26 0.00 0.00 58.87 58.10 1x54 n SER 102 Cb 0.56 0.66 0.02 0.00 -0.26 0.00 0.00 64.21 65.18 1x54 n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1x54 n GLU 103 N -0.82 2.79 -1.68 4.33 1.02 -1.26 -4.84 120.64 120.18 1x54 n GLU 103 Ca 0.00 -4.06 -0.43 0.00 -0.02 0.00 0.00 57.16 52.66 1x54 n GLU 103 Cb 0.00 -1.97 -0.03 0.00 -0.02 0.00 0.00 31.44 29.42 1x54 n GLU 103 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1x54 n PHE 104 N -0.45 2.57 0.88 -0.32 7.35 -1.26 -4.88 117.46 121.36 1x54 n PHE 104 Ca 0.30 -0.21 0.11 0.00 -0.76 0.00 0.00 57.45 56.90 1x54 n PHE 104 Cb 0.78 -2.75 0.52 0.00 0.35 0.00 0.00 39.48 38.38 1x54 n PHE 104 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1x54 n PRO 105 N 6.22 0.10 -3.28 -7.13 -0.04 -1.26 -4.65 135.00 124.97 1x54 n PRO 105 Ca 0.19 0.09 -0.39 0.00 -0.04 0.00 0.00 63.50 63.36 1x54 n PRO 105 Cb 0.38 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 1x54 n PRO 105 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1x54 s ILE 106 N -2.87 5.14 0.75 0.52 -1.09 -1.26 -5.05 121.20 117.33 1x54 s ILE 106 Ca 0.14 0.94 -0.14 0.00 -2.23 0.00 0.00 60.65 59.36 1x54 s ILE 106 Cb 0.15 -3.83 0.05 0.00 -1.58 0.00 0.00 42.46 37.26 1x54 s ILE 106 CO 0.40 0.23 1.18 -2.84 -1.23 0.00 0.00 174.94 172.68 1x54 s PRO 107 N 1.30 2.04 0.39 2.79 0.02 -1.26 -4.92 135.00 135.36 1x54 s PRO 107 Ca 0.24 1.66 0.08 0.00 0.02 0.00 0.00 61.00 63.00 1x54 s PRO 107 Cb -0.15 -1.83 0.84 0.00 0.02 0.00 0.00 34.50 33.37 1x54 s PRO 107 CO 0.10 -1.89 1.98 1.05 -0.33 0.00 0.00 177.00 177.91 1x54 h GLU 108 N -0.55 0.61 -4.12 5.54 4.11 -1.98 -2.87 114.58 115.32 1x54 h GLU 108 Ca -0.47 -0.04 -0.74 0.00 0.07 0.00 0.00 59.36 58.19 1x54 h GLU 108 Cb 1.28 -0.14 -0.29 0.00 0.50 0.00 0.00 28.75 30.11 1x54 h GLU 108 CO 0.49 0.40 -0.30 1.21 0.07 0.00 0.00 179.01 180.88 1x54 s ASN 109 N -6.31 5.86 0.54 3.06 3.04 -1.26 -4.97 114.94 114.89 1x54 s ASN 109 Ca -0.09 -2.12 0.25 0.00 0.04 0.00 0.00 52.86 50.94 1x54 s ASN 109 Cb 0.19 -2.05 1.41 0.00 -1.54 0.00 0.00 41.25 39.27 1x54 s ASN 109 CO 0.76 -0.66 2.02 -0.65 -3.04 0.00 0.00 177.10 175.53 1x54 h PRO 110 N 8.24 0.00 0.00 0.43 0.11 -1.88 -1.41 132.00 137.50 1x54 h PRO 110 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1x54 h PRO 110 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1x54 h PRO 110 CO 0.85 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.79 1x54 n GLU 111 N -4.30 0.91 0.07 1.05 0.28 -1.26 -1.10 120.64 116.29 1x54 n GLU 111 Ca 0.07 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.19 1x54 n GLU 111 Cb 0.52 -1.22 0.19 0.00 1.43 0.00 0.00 31.44 32.36 1x54 n GLU 111 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1x54 h GLN 112 N 0.00 0.00 -6.90 3.44 4.20 -1.64 -3.47 115.11 110.74 1x54 h GLN 112 Ca 0.00 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.22 1x54 h GLN 112 Cb 0.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 1x54 h GLN 112 CO 0.00 0.00 0.15 0.00 -0.67 0.00 0.00 178.83 178.31 1x54 s ALA 113 N -3.17 3.31 0.31 3.87 0.00 -0.26 -5.05 121.76 120.77 1x54 s ALA 113 Ca 0.06 -0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 1x54 s ALA 113 Cb 0.13 -2.75 -0.12 0.00 0.00 0.00 0.00 23.12 20.38 1x54 s ALA 113 CO 0.71 -0.07 1.58 0.45 0.00 0.00 0.00 175.76 178.43 1x54 n SER 114 N -1.42 3.86 0.03 0.00 2.88 -1.26 -4.90 113.62 112.81 1x54 n SER 114 Ca 0.03 1.16 0.17 0.00 -1.33 0.00 0.00 58.87 58.90 1x54 n SER 114 Cb 0.54 -1.60 0.66 0.00 -0.75 0.00 0.00 64.21 63.06 1x54 n SER 114 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1x54 h PRO 115 N 4.46 0.04 -0.29 -1.46 0.13 -1.96 -0.44 132.00 132.48 1x54 h PRO 115 Ca -0.48 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 1x54 h PRO 115 Cb 1.23 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1x54 h PRO 115 CO 0.77 0.03 -0.09 0.93 -0.23 0.00 0.00 178.00 179.40 1x54 h GLU 116 N 0.04 0.48 -0.34 0.86 4.39 -1.99 -1.08 114.58 116.94 1x54 h GLU 116 Ca 0.21 -0.12 -0.12 0.00 0.34 0.00 0.00 59.36 59.67 1x54 h GLU 116 Cb 0.80 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1x54 h GLU 116 CO -0.01 0.57 -0.26 1.25 -1.16 0.00 0.00 179.01 179.40 1x54 h LEU 117 N 0.45 0.82 -0.82 1.33 6.46 -1.46 -0.58 115.31 121.51 1x54 h LEU 117 Ca 0.09 -0.44 -0.02 0.00 -0.12 0.00 0.00 57.88 57.39 1x54 h LEU 117 Cb 0.43 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 1x54 h LEU 117 CO 0.02 1.09 0.45 -0.07 -0.62 0.00 0.00 178.44 179.32 1x54 h LEU 118 N 0.56 1.03 -0.43 2.25 3.38 -1.11 -1.09 115.31 119.90 1x54 h LEU 118 Ca 0.06 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1x54 h LEU 118 Cb 0.83 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1x54 h LEU 118 CO 0.07 0.83 -0.35 -0.07 0.09 0.00 0.00 178.44 179.02 1x54 h LEU 119 N 1.15 0.99 -1.50 1.67 3.38 -1.15 -0.90 115.31 118.94 1x54 h LEU 119 Ca 0.29 -0.43 0.07 0.00 0.09 0.00 0.00 57.88 57.90 1x54 h LEU 119 Cb 0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1x54 h LEU 119 CO -0.05 1.23 0.43 0.44 0.09 0.00 0.00 178.44 180.58 1x54 h ASP 120 N 0.77 0.53 -0.78 -0.43 3.45 -0.70 -2.20 116.42 117.06 1x54 h ASP 120 Ca 0.07 0.01 -0.53 0.00 0.43 0.00 0.00 57.03 57.00 1x54 h ASP 120 Cb 0.93 -0.11 -0.33 0.00 -0.56 0.00 0.00 39.33 39.27 1x54 h ASP 120 CO 0.09 0.33 -0.08 -1.22 -1.57 0.00 0.00 179.24 176.79 1x54 n TYR 121 N -4.48 2.65 -0.19 4.55 4.01 -0.45 -4.63 117.16 118.62 1x54 n TYR 121 Ca 0.10 -2.40 0.08 0.00 -0.16 0.00 0.00 57.90 55.52 1x54 n TYR 121 Cb 0.28 -0.77 0.36 0.00 -0.31 0.00 0.00 39.34 38.90 1x54 n TYR 121 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1x54 h ARG 122 N 1.90 0.71 0.00 -0.72 9.65 -0.50 0.91 114.38 126.33 1x54 h ARG 122 Ca 0.44 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.27 1x54 h ARG 122 Cb 1.34 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 1x54 h ARG 122 CO 1.00 0.47 -0.01 1.12 2.80 0.00 0.00 179.97 185.34 1x54 h HIS 123 N 0.73 0.00 0.06 2.20 2.07 -1.86 -1.68 115.15 116.67 1x54 h HIS 123 Ca 0.34 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.50 1x54 h HIS 123 Cb 0.36 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.30 1x54 h HIS 123 CO -0.00 0.01 -2.04 1.28 -3.07 0.00 0.00 177.93 174.11 1x54 n LEU 124 N -4.03 2.05 -0.19 6.12 4.77 0.07 -4.34 117.00 121.45 1x54 n LEU 124 Ca -0.03 0.18 0.06 0.00 -0.03 0.00 0.00 56.01 56.19 1x54 n LEU 124 Cb 0.10 -0.64 0.34 0.00 -2.33 0.00 0.00 43.42 40.89 1x54 n LEU 124 CO 0.30 0.73 1.22 -0.74 -1.33 0.00 0.00 177.39 177.56 1x54 h HIS 125 N 0.04 0.80 0.00 -1.77 2.76 -0.51 -2.55 115.15 113.91 1x54 h HIS 125 Ca -0.43 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 1x54 h HIS 125 Cb 2.03 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 30.72 1x54 h HIS 125 CO 0.04 0.43 0.00 -0.84 -1.30 0.00 0.00 177.93 176.26 1x54 h ILE 126 N 0.79 0.00 0.00 6.26 3.07 -1.51 -1.76 117.51 124.36 1x54 h ILE 126 Ca 0.31 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 66.55 1x54 h ILE 126 Cb 0.22 0.93 0.00 0.00 -0.27 0.00 0.00 36.82 37.71 1x54 h ILE 126 CO -0.10 0.00 -0.19 -2.11 -1.05 0.00 0.00 178.15 174.70 1x54 n ARG 127 N -2.57 0.00 -2.45 0.16 1.85 -0.96 -3.60 116.66 109.10 1x54 n ARG 127 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.52 1x54 n ARG 127 Cb 0.16 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.03 1x54 n ARG 127 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1x54 s THR 128 N -3.00 4.30 0.21 8.89 -4.23 -0.66 -4.80 115.64 116.35 1x54 s THR 128 Ca 0.13 1.21 -0.09 0.00 -1.18 0.00 0.00 61.69 61.75 1x54 s THR 128 Cb 0.18 -3.61 0.15 0.00 1.34 0.00 0.00 72.50 70.57 1x54 s THR 128 CO 0.59 -0.53 1.74 -0.65 -0.54 0.00 0.00 174.62 175.24 1x54 h PRO 129 N 1.13 0.39 -0.38 3.99 0.11 -1.90 -0.79 132.00 134.55 1x54 h PRO 129 Ca -0.48 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1x54 h PRO 129 Cb 1.19 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1x54 h PRO 129 CO 0.60 0.26 -0.04 0.87 -0.21 0.00 0.00 178.00 179.48 1x54 h LYS 130 N 0.40 0.70 -0.63 1.05 1.57 -1.94 -0.57 116.57 117.16 1x54 h LYS 130 Ca 0.32 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1x54 h LYS 130 Cb 0.40 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1x54 h LYS 130 CO -0.32 0.83 0.21 0.00 -0.57 0.00 0.00 179.45 179.60 1x54 h ALA 131 N 0.85 0.83 -0.33 3.86 0.00 -1.75 -2.09 119.26 120.62 1x54 h ALA 131 Ca 0.10 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1x54 h ALA 131 Cb 0.54 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1x54 h ALA 131 CO 0.03 0.48 -0.10 0.77 0.00 0.00 0.00 179.25 180.43 1x54 h SER 132 N 0.90 0.55 -0.79 0.00 0.02 -1.04 -2.64 113.55 110.55 1x54 h SER 132 Ca 0.21 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1x54 h SER 132 Cb 0.27 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1x54 h SER 132 CO -0.01 0.69 0.45 0.00 -1.14 0.00 0.00 176.83 176.83 1x54 h ALA 133 N 1.37 1.02 -0.66 3.77 0.00 -0.65 -0.80 119.26 123.30 1x54 h ALA 133 Ca 0.10 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1x54 h ALA 133 Cb 0.50 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1x54 h ALA 133 CO 0.03 0.51 0.40 0.82 0.00 0.00 0.00 179.25 181.01 1x54 h ILE 134 N 1.10 1.05 -0.21 0.00 2.04 -1.05 -0.61 117.51 119.83 1x54 h ILE 134 Ca 0.28 -0.26 -0.10 0.00 1.00 0.00 0.00 64.86 65.78 1x54 h ILE 134 Cb 0.01 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1x54 h ILE 134 CO -0.05 0.14 -0.30 0.24 0.00 0.00 0.00 178.15 178.18 1x54 h MET 135 N 0.77 0.42 -0.52 2.37 2.86 -1.02 -0.37 114.93 119.44 1x54 h MET 135 Ca 0.27 -0.17 -0.12 0.00 -2.06 0.00 0.00 59.70 57.62 1x54 h MET 135 Cb 0.07 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1x54 h MET 135 CO -0.13 0.68 -0.15 0.87 1.06 0.00 0.00 176.91 179.24 1x54 h LYS 136 N 0.37 1.02 -0.33 1.72 1.57 -0.76 -1.13 116.57 119.03 1x54 h LYS 136 Ca 0.05 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1x54 h LYS 136 Cb 0.71 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1x54 h LYS 136 CO 0.05 1.09 0.20 0.28 -0.57 0.00 0.00 179.45 180.51 1x54 h VAL 137 N 0.90 1.11 -0.12 0.50 2.07 -0.85 -2.02 116.25 117.83 1x54 h VAL 137 Ca 0.13 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1x54 h VAL 137 Cb 0.73 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1x54 h VAL 137 CO 0.06 0.10 0.06 0.50 0.02 0.00 0.00 177.57 178.31 1x54 h LYS 138 N 0.43 0.12 -0.28 1.57 3.64 -0.91 -0.24 116.57 120.90 1x54 h LYS 138 Ca 0.12 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1x54 h LYS 138 Cb -0.01 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1x54 h LYS 138 CO -0.02 0.08 -0.04 1.05 -2.27 0.00 0.00 179.45 178.25 1x54 h GLU 139 N 0.13 0.44 -0.21 1.90 4.11 -1.14 -2.01 114.58 117.79 1x54 h GLU 139 Ca 0.05 -0.09 -0.14 0.00 0.07 0.00 0.00 59.36 59.25 1x54 h GLU 139 Cb 0.01 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1x54 h GLU 139 CO -0.03 0.49 -0.40 1.15 0.07 0.00 0.00 179.01 180.29 1x54 h THR 140 N 0.42 1.32 -0.68 -1.06 2.02 -0.87 0.07 112.91 114.14 1x54 h THR 140 Ca 0.09 -1.63 0.06 0.00 0.77 0.00 0.00 66.41 65.71 1x54 h THR 140 Cb 0.33 1.83 -0.06 0.00 -1.74 0.00 0.00 68.15 68.52 1x54 h THR 140 CO 0.01 0.51 0.37 -0.07 0.37 0.00 0.00 175.52 176.71 1x54 h LEU 141 N 0.34 0.54 -0.29 2.58 3.38 -0.82 0.00 115.31 121.04 1x54 h LEU 141 Ca 0.01 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1x54 h LEU 141 Cb 1.00 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1x54 h LEU 141 CO 0.09 0.35 -0.46 0.40 0.09 0.00 0.00 178.44 178.91 1x54 h ILE 142 N 0.68 1.28 -0.72 1.22 1.08 -1.28 -1.40 117.51 118.38 1x54 h ILE 142 Ca 0.31 -1.65 0.09 0.00 -0.39 0.00 0.00 64.86 63.22 1x54 h ILE 142 Cb 0.21 1.61 -0.07 0.00 -3.07 0.00 0.00 36.82 35.50 1x54 h ILE 142 CO -0.19 0.54 0.37 -0.03 -0.69 0.00 0.00 178.15 178.14 1x54 h MET 143 N 0.60 0.61 -0.60 2.37 4.05 -0.69 -0.99 114.93 120.28 1x54 h MET 143 Ca 0.03 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1x54 h MET 143 Cb 1.06 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.70 1x54 h MET 143 CO 0.11 0.40 0.27 0.00 0.23 0.00 0.00 176.91 177.92 1x54 h ALA 144 N 1.43 0.78 -0.35 0.39 0.00 -0.76 -0.99 119.26 119.76 1x54 h ALA 144 Ca 0.35 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1x54 h ALA 144 Cb 0.35 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1x54 h ALA 144 CO -0.26 0.36 0.17 0.00 0.00 0.00 0.00 179.25 179.52 1x54 h ALA 145 N 1.11 0.43 -0.32 0.00 0.00 -0.55 -1.45 119.26 118.47 1x54 h ALA 145 Ca 0.20 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1x54 h ALA 145 Cb 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1x54 h ALA 145 CO -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 179.25 178.98 1x54 h ARG 146 N 0.35 0.51 -0.31 0.00 3.08 -0.63 0.32 114.38 117.70 1x54 h ARG 146 Ca 0.15 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1x54 h ARG 146 Cb 0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1x54 h ARG 146 CO -0.11 0.57 0.17 0.93 -1.07 0.00 0.00 179.97 180.46 1x54 h GLU 147 N 0.49 0.43 -0.37 0.04 5.08 -0.70 -0.99 114.58 118.55 1x54 h GLU 147 Ca 0.10 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1x54 h GLU 147 Cb 0.37 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1x54 h GLU 147 CO 0.02 0.36 0.10 2.35 -1.00 0.00 0.00 179.01 180.84 1x54 h TRP 148 N 0.38 0.62 -0.74 4.33 7.01 -0.76 -1.68 115.95 125.10 1x54 h TRP 148 Ca 0.11 -0.07 -0.05 0.00 2.11 0.00 0.00 58.89 60.99 1x54 h TRP 148 Cb 0.06 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 1x54 h TRP 148 CO -0.03 0.61 0.28 -0.07 -2.79 0.00 0.00 178.44 176.44 1x54 h LEU 149 N 0.46 1.04 0.09 0.65 3.38 -0.82 -0.31 115.31 119.80 1x54 h LEU 149 Ca 0.12 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1x54 h LEU 149 Cb 0.29 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1x54 h LEU 149 CO 0.00 0.94 -0.04 0.25 0.09 0.00 0.00 178.44 179.68 1x54 h LEU 150 N 1.08 -0.10 -1.12 1.67 5.85 -1.09 -0.96 115.31 120.63 1x54 h LEU 150 Ca 0.25 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1x54 h LEU 150 Cb 0.24 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1x54 h LEU 150 CO -0.02 0.15 0.45 0.50 -0.34 0.00 0.00 178.44 179.18 1x54 h LYS 151 N -0.36 1.06 -0.03 1.25 3.64 -1.08 -2.01 116.57 119.03 1x54 h LYS 151 Ca -0.01 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1x54 h LYS 151 Cb 0.30 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1x54 h LYS 151 CO 0.02 0.75 0.00 -3.47 -2.27 0.00 0.00 179.45 174.48 1x54 n ASP 152 N -4.37 0.75 -0.09 4.20 2.03 -0.15 -4.94 116.55 113.98 1x54 n ASP 152 Ca 0.08 -1.36 0.00 0.00 0.52 0.00 0.00 54.79 54.04 1x54 n ASP 152 Cb 0.08 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1x54 n ASP 152 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x54 n GLY 153 N 1.04 0.80 3.90 0.27 0.00 -0.76 -5.05 105.19 105.39 1x54 n GLY 153 Ca 0.19 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 1x54 n GLY 153 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x54 s TRP 154 N -2.19 3.47 -0.17 1.61 0.52 -0.41 -4.79 118.94 116.99 1x54 s TRP 154 Ca 0.00 0.55 -0.08 0.00 0.02 0.00 0.00 56.10 56.60 1x54 s TRP 154 Cb 0.00 -2.01 -0.04 0.00 -1.15 0.00 0.00 33.47 30.27 1x54 s TRP 154 CO 0.00 0.43 0.09 -1.01 0.02 0.00 0.00 176.95 176.47 1x54 s HIS 155 N -1.67 3.34 0.05 -1.98 3.76 0.38 -4.62 115.29 114.56 1x54 s HIS 155 Ca 0.41 0.22 -0.27 0.00 -0.15 0.00 0.00 55.06 55.27 1x54 s HIS 155 Cb -0.12 -2.07 -0.05 0.00 1.11 0.00 0.00 32.58 31.45 1x54 s HIS 155 CO 0.25 0.30 0.87 -2.00 -0.85 0.00 0.00 174.74 173.30 1x54 s GLU 156 N 0.10 4.58 0.31 1.40 2.12 -1.26 -0.91 118.70 125.04 1x54 s GLU 156 Ca 0.07 1.25 0.05 0.00 0.36 0.00 0.00 54.97 56.70 1x54 s GLU 156 Cb -0.12 -3.39 -0.06 0.00 0.26 0.00 0.00 34.13 30.82 1x54 s GLU 156 CO 0.00 0.18 0.01 0.14 -0.54 0.00 0.00 175.26 175.05 1x54 s VAL 157 N 0.22 1.42 -0.60 3.70 -7.23 -0.11 -4.92 120.40 112.89 1x54 s VAL 157 Ca 0.44 -2.04 0.05 0.00 -1.81 0.00 0.00 61.98 58.61 1x54 s VAL 157 Cb -0.21 -2.67 0.17 0.00 0.56 0.00 0.00 36.38 34.23 1x54 s VAL 157 CO 0.26 -0.13 0.44 -0.36 -0.31 0.00 0.00 175.10 175.00 1x54 s PHE 158 N -3.15 2.67 0.85 2.82 0.40 -1.26 -4.47 117.98 115.85 1x54 s PHE 158 Ca 0.33 -2.97 -0.12 0.00 -0.60 0.00 0.00 56.93 53.57 1x54 s PHE 158 Cb 0.07 -2.06 0.10 0.00 0.51 0.00 0.00 43.02 41.64 1x54 s PHE 158 CO 0.14 -0.65 1.11 -1.25 0.70 0.00 0.00 175.22 175.28 1x54 s PRO 159 N -0.91 1.63 0.45 0.24 0.04 -1.26 -5.01 135.00 130.17 1x54 s PRO 159 Ca 0.28 0.51 -0.21 0.00 0.04 0.00 0.00 61.00 61.61 1x54 s PRO 159 Cb -0.01 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 1x54 s PRO 159 CO -0.18 -1.91 1.02 -1.25 0.04 0.00 0.00 177.00 174.72 1x54 s PRO 160 N -5.19 4.01 -0.22 0.56 0.04 -1.26 -4.99 135.00 127.95 1x54 s PRO 160 Ca 0.62 1.33 0.03 0.00 0.04 0.00 0.00 61.00 63.03 1x54 s PRO 160 Cb -0.15 -2.23 -0.20 0.00 0.04 0.00 0.00 34.50 31.96 1x54 s PRO 160 CO 0.54 -0.25 -0.04 -0.89 0.04 0.00 0.00 177.00 176.40 1x54 n ILE 161 N -0.65 1.53 -2.80 0.56 2.08 -1.26 -4.82 119.36 114.00 1x54 n ILE 161 Ca 0.08 -0.64 -0.42 0.00 0.56 0.00 0.00 62.75 62.33 1x54 n ILE 161 Cb 0.52 -1.32 -0.03 0.00 -0.75 0.00 0.00 39.64 38.06 1x54 n ILE 161 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1x54 s LEU 162 N -6.44 4.13 0.25 1.39 1.43 -1.26 -0.06 118.68 118.12 1x54 s LEU 162 Ca -0.28 1.23 0.02 0.00 -1.03 0.00 0.00 54.13 54.08 1x54 s LEU 162 Cb 0.08 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1x54 s LEU 162 CO 0.68 -0.52 0.19 0.68 0.23 0.00 0.00 176.35 177.61 1x54 s VAL 163 N 2.67 0.00 0.00 -1.59 -7.23 -0.29 -4.96 120.40 109.00 1x54 s VAL 163 Ca 0.40 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1x54 s VAL 163 Cb -0.16 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.28 1x54 s VAL 163 CO 0.09 0.00 0.69 0.35 -0.31 0.00 0.00 175.10 175.92 1x54 n THR 164 N -0.41 0.42 -4.70 5.32 -2.24 -1.26 -0.69 114.28 110.73 1x54 n THR 164 Ca 0.04 -0.66 -0.24 0.00 -2.27 0.00 0.00 64.05 60.92 1x54 n THR 164 Cb 0.65 0.84 -0.16 0.00 -2.10 0.00 0.00 70.33 69.56 1x54 n THR 164 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x54 s GLY 165 N -0.42 0.77 0.11 3.38 0.00 -1.26 -4.97 107.32 104.92 1x54 s GLY 165 Ca 0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 44.72 43.81 1x54 s GLY 165 CO 0.00 -0.40 1.05 0.00 0.00 0.00 0.00 173.10 173.75 1x54 s ALA 166 N -0.13 3.30 -0.21 3.20 0.00 -1.26 -4.87 121.76 121.78 1x54 s ALA 166 Ca 0.01 0.70 0.07 0.00 0.00 0.00 0.00 51.96 52.74 1x54 s ALA 166 Cb -0.08 -3.34 -0.21 0.00 0.00 0.00 0.00 23.12 19.49 1x54 s ALA 166 CO 0.00 -0.18 -0.01 0.28 0.00 0.00 0.00 175.76 175.86 1x54 n VAL 167 N 2.95 1.50 -2.13 0.00 0.31 -1.26 -4.65 118.33 115.06 1x54 n VAL 167 Ca 0.04 -0.69 -0.11 0.00 -0.01 0.00 0.00 64.34 63.57 1x54 n VAL 167 Cb 0.48 -1.13 0.07 0.00 -0.91 0.00 0.00 33.84 32.35 1x54 n VAL 167 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1x54 n GLU 168 N -3.11 2.56 0.00 5.55 -0.58 -1.26 -4.82 120.64 118.98 1x54 n GLU 168 Ca -0.38 -3.70 0.00 0.00 -0.42 0.00 0.00 57.16 52.66 1x54 n GLU 168 Cb 1.05 -1.84 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 1x54 n GLU 168 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x54 n GLY 169 N -0.68 1.41 0.24 0.62 0.00 -1.26 -4.79 105.19 100.72 1x54 n GLY 169 Ca 0.29 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.79 1x54 n GLY 169 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x54 h GLY 170 N 0.00 0.00 1.88 -0.02 0.00 -1.98 -3.30 103.07 99.65 1x54 h GLY 170 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1x54 h GLY 170 CO 0.00 0.00 0.04 0.00 0.00 0.00 0.00 176.54 176.58 1x54 h ALA 171 N 1.90 2.05 -0.33 3.60 0.00 -1.96 -2.85 119.26 121.67 1x54 h ALA 171 Ca -0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1x54 h ALA 171 Cb 0.76 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 1x54 h ALA 171 CO 0.01 -0.08 -0.11 0.25 0.00 0.00 0.00 179.25 179.32 1x54 n THR 172 N -4.51 2.54 -3.42 0.00 -2.24 -1.24 -4.81 114.28 100.59 1x54 n THR 172 Ca -0.02 -2.80 -0.37 0.00 -2.27 0.00 0.00 64.05 58.60 1x54 n THR 172 Cb 0.15 -0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.00 1x54 n THR 172 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1x54 s LEU 173 N -3.25 4.24 -0.05 3.22 1.43 -1.08 -0.18 118.68 123.01 1x54 s LEU 173 Ca 0.44 0.63 -0.24 0.00 -1.03 0.00 0.00 54.13 53.94 1x54 s LEU 173 Cb 0.41 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 1x54 s LEU 173 CO -0.01 0.03 0.72 -0.36 0.23 0.00 0.00 176.35 176.96 1x54 s PHE 174 N 0.68 3.59 0.03 0.29 0.08 -1.26 -4.78 117.98 116.61 1x54 s PHE 174 Ca 0.21 1.29 0.03 0.00 0.12 0.00 0.00 56.93 58.59 1x54 s PHE 174 Cb -0.14 -2.82 -0.04 0.00 -0.57 0.00 0.00 43.02 39.45 1x54 s PHE 174 CO 0.07 0.10 -0.04 0.21 -0.10 0.00 0.00 175.22 175.46 1x54 s LYS 175 N 0.75 2.58 0.04 0.44 2.20 -1.26 -1.58 119.74 122.91 1x54 s LYS 175 Ca 0.39 -0.74 -0.07 0.00 -0.36 0.00 0.00 55.97 55.19 1x54 s LYS 175 Cb -0.18 -2.54 -0.01 0.00 -1.51 0.00 0.00 37.83 33.59 1x54 s LYS 175 CO 0.19 0.59 0.12 -0.48 -0.36 0.00 0.00 175.35 175.41 1x54 s LEU 176 N -1.71 1.69 0.17 5.43 2.34 0.24 -4.99 118.68 121.85 1x54 s LEU 176 Ca 0.20 -0.53 -0.30 0.00 0.06 0.00 0.00 54.13 53.56 1x54 s LEU 176 Cb -0.11 0.71 -0.08 0.00 -0.56 0.00 0.00 46.19 46.15 1x54 s LEU 176 CO 0.11 -0.55 1.20 -0.75 -1.06 0.00 0.00 176.35 175.31 1x54 s LYS 177 N -2.79 4.48 -0.41 1.48 2.20 -1.26 -0.94 119.74 122.50 1x54 s LYS 177 Ca -0.03 1.87 0.01 0.00 -0.36 0.00 0.00 55.97 57.46 1x54 s LYS 177 Cb -0.00 -3.25 0.14 0.00 -1.51 0.00 0.00 37.83 33.21 1x54 s LYS 177 CO -0.05 -0.12 0.24 -0.47 -0.36 0.00 0.00 175.35 174.58 1x54 s TYR 178 N 0.10 1.48 0.00 4.03 5.04 0.56 -4.83 117.35 123.74 1x54 s TYR 178 Ca 0.54 -2.13 0.00 0.00 -2.44 0.00 0.00 57.07 53.04 1x54 s TYR 178 Cb -0.32 -1.49 0.00 0.00 0.35 0.00 0.00 41.96 40.50 1x54 s TYR 178 CO 0.36 -0.80 0.00 1.19 -1.34 0.00 0.00 175.55 174.96 1x54 n PHE 179 N 3.68 0.00 1.23 4.97 3.72 -1.26 -0.57 117.46 129.23 1x54 n PHE 179 Ca 0.11 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.61 1x54 n PHE 179 Cb 0.36 0.00 0.36 0.00 -0.94 0.00 0.00 39.48 39.26 1x54 n PHE 179 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1x54 n ASP 180 N 8.02 1.60 -1.04 4.37 5.75 -1.26 -4.93 116.55 129.07 1x54 n ASP 180 Ca 0.00 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1x54 n ASP 180 Cb 0.00 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1x54 n ASP 180 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1x54 n LYS 181 N 0.29 0.63 -4.65 0.11 2.85 0.26 -5.17 118.16 112.48 1x54 n LYS 181 Ca 0.16 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.13 1x54 n LYS 181 Cb 0.31 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.55 1x54 n LYS 181 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1x54 s TYR 182 N -1.51 2.13 0.23 5.58 2.02 -1.26 -0.32 117.35 124.22 1x54 s TYR 182 Ca 0.00 -0.40 0.07 0.00 -0.37 0.00 0.00 57.07 56.38 1x54 s TYR 182 Cb 0.00 -1.24 -0.05 0.00 -0.40 0.00 0.00 41.96 40.27 1x54 s TYR 182 CO 0.00 0.18 -0.12 0.00 -1.57 0.00 0.00 175.55 174.04 1x54 s ALA 183 N -0.90 2.12 0.20 3.71 0.00 -0.12 -4.85 121.76 121.92 1x54 s ALA 183 Ca 0.11 -1.74 0.09 0.00 0.00 0.00 0.00 51.96 50.42 1x54 s ALA 183 Cb -0.10 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1x54 s ALA 183 CO 0.03 0.02 -0.07 0.71 0.00 0.00 0.00 175.76 176.45 1x54 s TYR 184 N -2.99 2.65 -0.04 0.00 4.12 0.14 -0.59 117.35 120.63 1x54 s TYR 184 Ca 0.25 -0.22 -0.25 0.00 0.02 0.00 0.00 57.07 56.87 1x54 s TYR 184 Cb 0.01 -1.26 -0.04 0.00 -1.52 0.00 0.00 41.96 39.15 1x54 s TYR 184 CO 0.09 0.55 0.76 -0.51 0.02 0.00 0.00 175.55 176.45 1x54 s LEU 185 N -3.06 4.35 0.14 -1.29 1.43 -0.62 -1.14 118.68 118.49 1x54 s LEU 185 Ca 0.27 1.32 -0.35 0.00 -1.03 0.00 0.00 54.13 54.34 1x54 s LEU 185 Cb -0.08 -3.20 -0.15 0.00 0.03 0.00 0.00 46.19 42.80 1x54 s LEU 185 CO 0.16 -0.12 1.51 -0.24 0.23 0.00 0.00 176.35 177.90 1x54 n SER 186 N 3.64 2.69 0.10 2.29 2.88 0.91 -4.55 113.62 121.58 1x54 n SER 186 Ca -0.00 1.09 0.12 0.00 -1.33 0.00 0.00 58.87 58.75 1x54 n SER 186 Cb 0.51 -1.36 0.26 0.00 -0.75 0.00 0.00 64.21 62.87 1x54 n SER 186 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1x54 h GLN 187 N 5.57 0.00 0.00 -1.46 4.20 -1.90 -0.73 115.11 120.79 1x54 h GLN 187 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1x54 h GLN 187 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1x54 h GLN 187 CO 0.86 0.00 0.00 0.45 -0.67 0.00 0.00 178.83 179.47 1x54 n SER 188 N -2.30 0.00 -0.39 1.46 2.88 -1.26 -4.50 113.62 109.50 1x54 n SER 188 Ca 0.04 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.69 1x54 n SER 188 Cb 0.45 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.37 1x54 n SER 188 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x54 n ALA 189 N -0.07 2.55 -0.23 -1.46 0.00 -1.26 -4.57 120.51 115.47 1x54 n ALA 189 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 53.44 53.05 1x54 n ALA 189 Cb 0.00 -1.16 0.11 0.00 0.00 0.00 0.00 19.45 18.40 1x54 n ALA 189 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1x54 h GLN 190 N 1.63 0.08 -0.26 0.00 4.15 -1.98 -1.19 115.11 117.54 1x54 h GLN 190 Ca 0.00 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 1x54 h GLN 190 Cb 0.35 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1x54 h GLN 190 CO 0.00 0.05 -0.18 -0.07 -1.93 0.00 0.00 178.83 176.70 1x54 h LEU 191 N 0.08 0.45 -0.51 -2.39 3.38 -2.00 -0.13 115.31 114.19 1x54 h LEU 191 Ca 0.35 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 1x54 h LEU 191 Cb 0.58 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1x54 h LEU 191 CO -0.61 0.65 -0.60 1.88 0.09 0.00 0.00 178.44 179.86 1x54 h TYR 192 N 0.42 0.61 -0.70 1.13 0.05 -1.61 -2.70 116.97 114.18 1x54 h TYR 192 Ca 0.07 -0.23 -0.02 0.00 0.05 0.00 0.00 58.73 58.60 1x54 h TYR 192 Cb 0.56 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.16 1x54 h TYR 192 CO 0.02 0.96 0.37 -0.07 -1.05 0.00 0.00 178.16 178.38 1x54 h LEU 193 N 0.36 0.87 -1.21 3.88 3.38 -0.48 -1.73 115.31 120.37 1x54 h LEU 193 Ca -0.00 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1x54 h LEU 193 Cb 1.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1x54 h LEU 193 CO 0.11 0.71 0.15 -0.33 0.09 0.00 0.00 178.44 179.17 1x54 h GLU 194 N 0.97 0.70 -0.69 1.13 5.08 -0.82 -1.35 114.58 119.60 1x54 h GLU 194 Ca 0.25 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1x54 h GLU 194 Cb 0.04 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1x54 h GLU 194 CO -0.04 0.61 0.13 0.00 -1.00 0.00 0.00 179.01 178.71 1x54 h ALA 195 N 1.48 0.91 0.00 3.43 0.00 -1.08 -3.22 119.26 120.79 1x54 h ALA 195 Ca 0.16 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1x54 h ALA 195 Cb 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1x54 h ALA 195 CO -0.01 0.68 -0.20 0.00 0.00 0.00 0.00 179.25 179.72 1x54 h ALA 196 N 1.06 1.01 0.00 0.00 0.00 -0.42 -3.00 119.26 117.91 1x54 h ALA 196 Ca 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1x54 h ALA 196 Cb 0.43 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1x54 h ALA 196 CO 0.01 0.25 -0.06 -0.84 0.00 0.00 0.00 179.25 178.60 1x54 h ILE 197 N 0.00 0.27 0.00 0.00 3.07 -1.36 -1.55 117.51 117.95 1x54 h ILE 197 Ca -0.00 -0.45 -0.02 0.00 1.55 0.00 0.00 64.86 65.94 1x54 h ILE 197 Cb 0.74 1.34 -0.00 0.00 -0.27 0.00 0.00 36.82 38.64 1x54 h ILE 197 CO 0.03 0.06 -0.10 -0.26 -1.05 0.00 0.00 178.15 176.83 1x54 h PHE 198 N 0.00 0.00 0.00 0.16 -1.00 -1.71 0.22 116.94 114.62 1x54 h PHE 198 Ca -0.00 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.43 1x54 h PHE 198 Cb 0.34 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.83 1x54 h PHE 198 CO 0.00 0.10 -2.31 0.41 -1.61 0.00 0.00 178.31 174.90 1x54 n GLY 199 N -0.04 -0.73 0.02 -1.45 0.00 -0.91 -4.78 105.19 97.29 1x54 n GLY 199 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.76 1x54 n GLY 199 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x54 n LEU 200 N -2.85 0.35 0.00 0.99 4.77 -0.63 -5.04 117.00 114.59 1x54 n LEU 200 Ca -0.34 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1x54 n LEU 200 Cb 1.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 1x54 n LEU 200 CO 0.35 0.08 0.00 -0.62 -1.33 0.00 0.00 177.39 175.87 1x54 n GLU 201 N -0.74 0.00 -3.92 3.23 1.02 0.77 -4.68 120.64 116.32 1x54 n GLU 201 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 1x54 n GLU 201 Cb 0.03 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.29 1x54 n GLU 201 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1x54 s LYS 202 N 0.00 1.61 0.12 3.49 1.02 -1.26 -0.65 119.74 124.08 1x54 s LYS 202 Ca 0.00 -0.65 0.05 0.00 0.02 0.00 0.00 55.97 55.39 1x54 s LYS 202 Cb 0.00 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 1x54 s LYS 202 CO 0.00 -0.45 -0.11 0.14 -0.92 0.00 0.00 175.35 174.01 1x54 s VAL 203 N 1.55 1.14 0.10 3.17 -7.23 -0.51 -0.47 120.40 118.15 1x54 s VAL 203 Ca -0.00 -1.84 -0.10 0.00 -1.81 0.00 0.00 61.98 58.23 1x54 s VAL 203 Cb -0.16 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.18 1x54 s VAL 203 CO -0.08 -0.60 0.23 -1.66 -0.31 0.00 0.00 175.10 172.68 1x54 s TRP 204 N -2.73 0.11 0.04 2.82 1.48 -0.08 -1.22 118.94 119.36 1x54 s TRP 204 Ca 0.11 -0.52 -0.09 0.00 -1.06 0.00 0.00 56.10 54.54 1x54 s TRP 204 Cb -0.01 -0.01 0.00 0.00 -1.16 0.00 0.00 33.47 32.29 1x54 s TRP 204 CO 0.01 -0.58 0.19 -1.54 -4.06 0.00 0.00 176.95 170.97 1x54 s SER 205 N -2.86 0.03 -0.22 -2.66 1.04 -0.03 -0.94 113.70 108.07 1x54 s SER 205 Ca 0.05 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.13 1x54 s SER 205 Cb 0.04 0.29 0.05 0.00 0.10 0.00 0.00 66.02 66.50 1x54 s SER 205 CO -0.11 -0.55 -0.10 -0.22 0.98 0.00 0.00 173.24 173.24 1x54 s LEU 206 N -2.07 2.69 0.06 2.42 2.96 -1.26 -0.78 118.68 122.70 1x54 s LEU 206 Ca -0.05 -1.09 0.00 0.00 -0.22 0.00 0.00 54.13 52.77 1x54 s LEU 206 Cb -0.01 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 1x54 s LEU 206 CO -0.04 -0.17 -0.05 0.42 -1.32 0.00 0.00 176.35 175.20 1x54 s THR 207 N 1.30 0.41 0.11 3.68 -4.23 -0.87 -4.95 115.64 111.09 1x54 s THR 207 Ca -0.04 -1.69 -0.30 0.00 -1.18 0.00 0.00 61.69 58.48 1x54 s THR 207 Cb -0.18 -1.36 -0.06 0.00 1.34 0.00 0.00 72.50 72.25 1x54 s THR 207 CO -0.07 -0.84 1.09 -2.16 -0.54 0.00 0.00 174.62 172.09 1x54 s PRO 208 N -3.40 4.56 0.15 3.99 0.04 -1.26 -0.84 135.00 138.25 1x54 s PRO 208 Ca 0.05 1.65 0.09 0.00 0.04 0.00 0.00 61.00 62.83 1x54 s PRO 208 Cb 0.03 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1x54 s PRO 208 CO -0.06 -0.01 -0.16 -1.12 0.04 0.00 0.00 177.00 175.69 1x54 s SER 209 N 0.40 3.95 -0.08 6.66 0.01 0.78 -4.90 113.70 120.53 1x54 s SER 209 Ca 0.52 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 57.18 1x54 s SER 209 Cb -0.27 -0.57 0.01 0.00 0.21 0.00 0.00 66.02 65.41 1x54 s SER 209 CO 0.31 0.14 -0.14 -0.36 0.41 0.00 0.00 173.24 173.61 1x54 s PHE 210 N -1.45 1.67 -0.12 2.43 0.08 -0.28 -1.26 117.98 119.04 1x54 s PHE 210 Ca 0.21 -0.67 -0.02 0.00 0.12 0.00 0.00 56.93 56.57 1x54 s PHE 210 Cb -0.09 -1.21 0.04 0.00 -0.57 0.00 0.00 43.02 41.18 1x54 s PHE 210 CO 0.12 -0.34 -0.01 1.03 -0.10 0.00 0.00 175.22 175.92 1x54 s ARG 211 N 0.76 0.85 -1.45 0.44 1.81 0.06 -4.07 118.95 117.36 1x54 s ARG 211 Ca -0.12 -0.17 -0.12 0.00 -1.72 0.00 0.00 55.73 53.61 1x54 s ARG 211 Cb -0.16 -1.50 0.05 0.00 -0.45 0.00 0.00 34.95 32.89 1x54 s ARG 211 CO 0.02 -0.41 2.32 0.00 -0.68 0.00 0.00 175.30 176.56 1x54 n ALA 212 N 5.06 6.03 -2.57 2.13 0.00 0.75 -4.33 120.51 127.58 1x54 n ALA 212 Ca -0.09 -3.92 -0.41 0.00 0.00 0.00 0.00 53.44 49.03 1x54 n ALA 212 Cb 0.49 -3.33 -0.08 0.00 0.00 0.00 0.00 19.45 16.53 1x54 n ALA 212 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1x54 s GLU 213 N 2.07 3.69 0.21 0.00 2.56 -1.26 -4.43 118.70 121.54 1x54 s GLU 213 Ca 0.51 -0.11 0.02 0.00 0.00 0.00 0.00 54.97 55.39 1x54 s GLU 213 Cb 0.14 -3.78 0.15 0.00 2.00 0.00 0.00 34.13 32.64 1x54 s GLU 213 CO -0.06 -0.58 1.50 0.87 -0.56 0.00 0.00 175.26 176.42 1x54 h LYS 214 N 8.39 0.32 -6.37 4.30 1.57 -1.93 -3.43 116.57 119.41 1x54 h LYS 214 Ca -0.28 -0.24 -0.54 0.00 -1.87 0.00 0.00 60.65 57.72 1x54 h LYS 214 Cb 1.13 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1x54 h LYS 214 CO 0.76 0.87 0.91 0.45 -0.57 0.00 0.00 179.45 181.86 1x54 s SER 215 N -6.93 6.77 -1.21 0.86 0.15 -1.26 -4.90 113.70 107.18 1x54 s SER 215 Ca -0.05 2.21 -0.04 0.00 0.70 0.00 0.00 55.95 58.77 1x54 s SER 215 Cb 0.11 -2.56 0.20 0.00 -1.71 0.00 0.00 66.02 62.06 1x54 s SER 215 CO 0.82 -0.79 2.15 0.54 1.20 0.00 0.00 173.24 177.16 1x54 n ARG 216 N 5.68 4.88 -1.85 5.44 1.74 -1.26 -4.89 116.66 126.39 1x54 n ARG 216 Ca 0.14 -3.92 -0.28 0.00 -0.77 0.00 0.00 57.85 53.02 1x54 n ARG 216 Cb 0.43 -2.58 0.20 0.00 -1.02 0.00 0.00 32.46 29.49 1x54 n ARG 216 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1x54 n THR 217 N 1.12 0.00 1.48 0.55 -2.24 -1.26 -4.97 114.28 108.95 1x54 n THR 217 Ca 0.56 -0.96 0.14 0.00 -2.27 0.00 0.00 64.05 61.52 1x54 n THR 217 Cb 0.26 -1.52 0.56 0.00 -2.10 0.00 0.00 70.33 67.52 1x54 n THR 217 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1x54 n ARG 218 N -3.72 1.19 -0.01 -0.78 1.85 -1.26 -4.07 116.66 109.86 1x54 n ARG 218 Ca 0.16 -0.59 0.01 0.00 -1.00 0.00 0.00 57.85 56.43 1x54 n ARG 218 Cb 0.56 -1.49 0.01 0.00 -1.05 0.00 0.00 32.46 30.50 1x54 n ARG 218 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1x54 n ARG 219 N -0.39 0.72 -5.19 2.89 1.85 -1.26 -0.94 116.66 114.34 1x54 n ARG 219 Ca 0.17 -0.99 -0.31 0.00 -1.00 0.00 0.00 57.85 55.72 1x54 n ARG 219 Cb 0.31 -1.04 -0.17 0.00 -1.05 0.00 0.00 32.46 30.52 1x54 n ARG 219 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1x54 s HIS 220 N -0.48 2.37 0.31 2.89 3.76 -1.26 -4.97 115.29 117.91 1x54 s HIS 220 Ca 0.03 -0.78 0.10 0.00 -0.15 0.00 0.00 55.06 54.26 1x54 s HIS 220 Cb 0.02 -1.57 -0.05 0.00 1.11 0.00 0.00 32.58 32.09 1x54 s HIS 220 CO 0.02 -0.26 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.09 1x54 s LEU 221 N 0.00 2.92 0.07 0.89 1.43 -1.26 -4.71 118.68 118.02 1x54 s LEU 221 Ca -0.08 -0.94 0.24 0.00 -1.03 0.00 0.00 54.13 52.33 1x54 s LEU 221 Cb -0.15 -1.35 0.33 0.00 0.03 0.00 0.00 46.19 45.05 1x54 s LEU 221 CO 0.05 -0.12 1.28 0.35 0.23 0.00 0.00 176.35 178.14 1x54 n THR 222 N -0.85 0.20 -3.74 5.49 -2.24 -0.25 -4.66 114.28 108.22 1x54 n THR 222 Ca -0.05 -0.18 -0.16 0.00 -2.27 0.00 0.00 64.05 61.39 1x54 n THR 222 Cb 0.61 0.07 -0.16 0.00 -2.10 0.00 0.00 70.33 68.75 1x54 n THR 222 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1x54 s GLU 223 N -3.12 -0.04 0.13 -0.78 2.12 -1.26 -0.76 118.70 114.99 1x54 s GLU 223 Ca 0.07 0.26 -0.07 0.00 0.36 0.00 0.00 54.97 55.59 1x54 s GLU 223 Cb 0.15 -0.31 -0.01 0.00 0.26 0.00 0.00 34.13 34.22 1x54 s GLU 223 CO 0.73 -0.21 0.21 -0.59 -0.54 0.00 0.00 175.26 174.86 1x54 s PHE 224 N 1.39 0.38 -0.14 5.30 -0.12 -0.39 -4.68 117.98 119.72 1x54 s PHE 224 Ca -0.05 -0.78 -0.15 0.00 -0.05 0.00 0.00 56.93 55.90 1x54 s PHE 224 Cb -0.13 -0.13 -0.05 0.00 -0.63 0.00 0.00 43.02 42.09 1x54 s PHE 224 CO -0.03 -0.62 0.36 -1.58 -0.05 0.00 0.00 175.22 173.29 1x54 s TRP 225 N -3.94 3.49 -0.21 3.49 0.52 -1.26 -0.16 118.94 120.87 1x54 s TRP 225 Ca 0.14 0.71 0.00 0.00 0.02 0.00 0.00 56.10 56.97 1x54 s TRP 225 Cb 0.05 -2.41 0.05 0.00 -1.15 0.00 0.00 33.47 30.01 1x54 s TRP 225 CO -0.04 0.24 -0.06 -1.58 0.02 0.00 0.00 176.95 175.54 1x54 s HIS 226 N 0.43 2.16 -0.34 -1.98 2.46 -0.02 -1.17 115.29 116.85 1x54 s HIS 226 Ca 0.20 -1.53 -0.15 0.00 0.47 0.00 0.00 55.06 54.05 1x54 s HIS 226 Cb -0.14 -1.50 -0.01 0.00 -0.13 0.00 0.00 32.58 30.80 1x54 s HIS 226 CO 0.06 -0.73 0.36 -1.17 -2.47 0.00 0.00 174.74 170.80 1x54 s LEU 227 N 1.48 4.40 -0.02 8.88 2.96 -0.35 -2.05 118.68 133.99 1x54 s LEU 227 Ca -0.03 -0.19 0.06 0.00 -0.22 0.00 0.00 54.13 53.74 1x54 s LEU 227 Cb -0.18 -2.34 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 1x54 s LEU 227 CO -0.07 -0.32 -0.19 -1.61 -1.32 0.00 0.00 176.35 172.84 1x54 s GLU 228 N 2.01 1.58 0.07 1.98 2.02 0.04 -0.25 118.70 126.16 1x54 s GLU 228 Ca 0.12 -0.69 0.08 0.00 0.02 0.00 0.00 54.97 54.49 1x54 s GLU 228 Cb -0.16 -1.53 -0.03 0.00 0.10 0.00 0.00 34.13 32.51 1x54 s GLU 228 CO 0.12 0.41 -0.20 -0.51 0.02 0.00 0.00 175.26 175.10 1x54 s LEU 229 N -0.45 2.23 -0.07 1.80 1.02 -0.55 -0.85 118.68 121.82 1x54 s LEU 229 Ca 0.07 -0.60 -0.07 0.00 0.02 0.00 0.00 54.13 53.56 1x54 s LEU 229 Cb -0.08 -0.90 0.02 0.00 0.02 0.00 0.00 46.19 45.25 1x54 s LEU 229 CO -0.01 0.10 0.19 -0.70 0.02 0.00 0.00 176.35 175.95 1x54 s GLU 230 N -1.53 0.23 -0.05 1.70 2.56 -0.36 -1.46 118.70 119.80 1x54 s GLU 230 Ca 0.06 0.23 -0.02 0.00 0.00 0.00 0.00 54.97 55.24 1x54 s GLU 230 Cb -0.09 0.11 0.03 0.00 2.00 0.00 0.00 34.13 36.18 1x54 s GLU 230 CO 0.03 -0.03 0.09 0.00 -0.56 0.00 0.00 175.26 174.78 1x54 s ALA 231 N 0.02 -0.01 0.62 6.30 0.00 -0.16 -1.42 121.76 127.10 1x54 s ALA 231 Ca -0.01 0.42 -0.18 0.00 0.00 0.00 0.00 51.96 52.19 1x54 s ALA 231 Cb -0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1x54 s ALA 231 CO 0.00 -0.27 1.06 0.00 0.00 0.00 0.00 175.76 176.55 1x54 n ALA 232 N 4.60 0.47 0.00 0.00 0.00 0.18 -2.51 120.51 123.24 1x54 n ALA 232 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1x54 n ALA 232 Cb 0.50 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1x54 n ALA 232 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1x54 n TRP 233 N -1.81 0.00 -3.02 0.00 7.02 0.66 -4.93 117.44 115.36 1x54 n TRP 233 Ca 0.14 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.23 1x54 n TRP 233 Cb 0.48 -0.04 -0.06 0.00 -2.42 0.00 0.00 31.31 29.27 1x54 n TRP 233 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1x54 s MET 234 N 0.00 4.49 0.39 -0.99 -1.94 -1.24 -4.83 119.30 115.18 1x54 s MET 234 Ca 0.00 1.06 0.02 0.00 -1.71 0.00 0.00 55.69 55.06 1x54 s MET 234 Cb 0.00 -3.31 0.07 0.00 2.01 0.00 0.00 34.83 33.60 1x54 s MET 234 CO 0.00 0.44 0.54 -0.40 -0.01 0.00 0.00 175.02 175.59 1x54 n ASP 235 N 2.22 1.00 -0.29 3.03 5.68 -1.26 -2.77 116.55 124.16 1x54 n ASP 235 Ca -0.05 -1.78 -0.01 0.00 -0.50 0.00 0.00 54.79 52.45 1x54 n ASP 235 Cb 0.50 -0.33 0.11 0.00 -1.14 0.00 0.00 41.12 40.26 1x54 n ASP 235 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1x54 h LEU 236 N 0.00 0.80 -0.65 -2.12 5.85 -1.90 -1.21 115.31 116.07 1x54 h LEU 236 Ca -0.18 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 1x54 h LEU 236 Cb 0.73 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1x54 h LEU 236 CO 0.22 0.54 -0.28 -0.50 -0.34 0.00 0.00 178.44 178.07 1x54 h TRP 237 N 0.94 0.86 -0.33 1.25 4.06 -1.97 -1.04 115.95 119.72 1x54 h TRP 237 Ca 0.33 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 61.06 1x54 h TRP 237 Cb 0.08 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.03 1x54 h TRP 237 CO -0.04 0.94 0.17 -0.44 -3.56 0.00 0.00 178.44 175.51 1x54 h ASP 238 N 0.64 0.43 0.19 -3.49 3.45 -1.81 -2.60 116.42 113.23 1x54 h ASP 238 Ca 0.08 -0.11 -0.09 0.00 0.43 0.00 0.00 57.03 57.33 1x54 h ASP 238 Cb 0.80 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.45 1x54 h ASP 238 CO 0.07 0.42 -0.34 -0.29 -1.57 0.00 0.00 179.24 177.52 1x54 h ILE 239 N 0.41 1.28 -0.73 0.35 6.09 -0.89 -2.08 117.51 121.94 1x54 h ILE 239 Ca 0.12 -1.34 -0.04 0.00 -1.37 0.00 0.00 64.86 62.22 1x54 h ILE 239 Cb 0.10 1.57 -0.03 0.00 0.47 0.00 0.00 36.82 38.93 1x54 h ILE 239 CO -0.02 0.40 0.29 0.24 -3.07 0.00 0.00 178.15 176.00 1x54 h MET 240 N 0.20 1.07 -0.51 2.19 2.86 -1.01 -0.04 114.93 119.71 1x54 h MET 240 Ca 0.03 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1x54 h MET 240 Cb 0.71 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 1x54 h MET 240 CO 0.05 0.87 0.33 0.87 1.06 0.00 0.00 176.91 180.09 1x54 h LYS 241 N 1.05 0.65 -0.28 1.72 1.57 -1.05 -1.51 116.57 118.73 1x54 h LYS 241 Ca 0.24 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1x54 h LYS 241 Cb 0.20 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1x54 h LYS 241 CO -0.02 0.43 0.08 0.28 -0.57 0.00 0.00 179.45 179.65 1x54 h VAL 242 N 0.67 0.90 -0.32 0.50 2.07 -0.85 -1.73 116.25 117.49 1x54 h VAL 242 Ca 0.19 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.68 1x54 h VAL 242 Cb -0.06 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1x54 h VAL 242 CO -0.05 0.04 0.12 -0.33 0.02 0.00 0.00 177.57 177.36 1x54 h GLU 243 N 0.19 0.25 -0.12 1.57 5.08 -0.66 0.00 114.58 120.90 1x54 h GLU 243 Ca 0.13 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.35 1x54 h GLU 243 Cb 0.11 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1x54 h GLU 243 CO -0.15 0.17 -0.46 1.05 -1.00 0.00 0.00 179.01 178.62 1x54 h GLU 244 N 0.26 0.30 -0.26 2.33 4.11 -1.14 -1.03 114.58 119.14 1x54 h GLU 244 Ca 0.14 -0.16 -0.09 0.00 0.07 0.00 0.00 59.36 59.33 1x54 h GLU 244 Cb 0.11 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1x54 h GLU 244 CO -0.14 0.70 -0.17 0.93 0.07 0.00 0.00 179.01 180.40 1x54 h GLU 245 N 0.24 0.58 0.06 1.06 5.08 -0.96 -1.26 114.58 119.38 1x54 h GLU 245 Ca 0.02 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1x54 h GLU 245 Cb 0.91 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1x54 h GLU 245 CO 0.07 0.86 -0.03 1.25 -1.00 0.00 0.00 179.01 180.16 1x54 h LEU 246 N 0.31 -0.07 -0.76 1.33 5.85 -0.89 -1.35 115.31 119.74 1x54 h LEU 246 Ca 0.05 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1x54 h LEU 246 Cb 0.71 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1x54 h LEU 246 CO 0.05 0.16 0.30 0.58 -0.34 0.00 0.00 178.44 179.19 1x54 h VAL 247 N -0.30 1.25 -0.50 1.05 2.07 -1.23 0.13 116.25 118.72 1x54 h VAL 247 Ca -0.01 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1x54 h VAL 247 Cb 0.26 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1x54 h VAL 247 CO 0.01 0.33 0.31 0.28 0.02 0.00 0.00 177.57 178.52 1x54 h SER 248 N 1.09 0.60 -0.39 0.57 0.02 -1.20 -0.24 113.55 114.01 1x54 h SER 248 Ca 0.25 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1x54 h SER 248 Cb 0.21 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1x54 h SER 248 CO -0.02 0.48 0.15 0.22 -1.14 0.00 0.00 176.83 176.51 1x54 h TYR 249 N 0.67 0.60 -0.41 3.45 3.20 -0.86 0.10 116.97 123.72 1x54 h TYR 249 Ca 0.18 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 62.06 1x54 h TYR 249 Cb -0.02 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.02 1x54 h TYR 249 CO -0.03 0.55 0.11 0.52 -1.64 0.00 0.00 178.16 177.67 1x54 h MET 250 N 0.48 0.24 -0.18 1.82 2.86 -0.63 -0.04 114.93 119.49 1x54 h MET 250 Ca 0.13 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.65 1x54 h MET 250 Cb 0.21 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 1x54 h MET 250 CO -0.01 0.16 -0.30 0.28 1.06 0.00 0.00 176.91 178.10 1x54 h VAL 251 N 0.25 1.34 -0.55 -2.22 2.07 -0.80 -1.97 116.25 114.38 1x54 h VAL 251 Ca 0.20 -1.52 -0.11 0.00 0.82 0.00 0.00 66.70 66.08 1x54 h VAL 251 Cb 0.22 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1x54 h VAL 251 CO -0.23 0.46 -0.10 1.56 0.02 0.00 0.00 177.57 179.28 1x54 h GLN 252 N 0.18 1.03 -0.60 1.57 1.08 -0.60 0.61 115.11 118.38 1x54 h GLN 252 Ca 0.01 -0.38 -0.06 0.00 -1.45 0.00 0.00 58.65 56.78 1x54 h GLN 252 Cb 0.88 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.22 1x54 h GLN 252 CO 0.07 1.07 0.13 -0.09 -0.95 0.00 0.00 178.83 179.05 1x54 h ARG 253 N 0.92 0.95 -0.15 1.46 9.65 -1.03 -1.14 114.38 125.02 1x54 h ARG 253 Ca 0.14 -0.22 -0.18 0.00 -1.10 0.00 0.00 59.98 58.63 1x54 h ARG 253 Cb 0.67 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 29.11 1x54 h ARG 253 CO 0.05 0.86 -0.64 1.15 2.80 0.00 0.00 179.97 184.18 1x54 h THR 254 N 0.90 1.33 -0.85 0.20 2.02 -1.04 -2.20 112.91 113.27 1x54 h THR 254 Ca 0.19 -1.93 0.01 0.00 0.77 0.00 0.00 66.41 65.45 1x54 h THR 254 Cb 0.35 1.90 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 1x54 h THR 254 CO 0.00 0.60 0.56 -0.07 0.37 0.00 0.00 175.52 176.98 1x54 h LEU 255 N 0.42 0.96 -0.70 2.58 3.38 -0.65 0.14 115.31 121.44 1x54 h LEU 255 Ca -0.01 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1x54 h LEU 255 Cb 1.21 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 1x54 h LEU 255 CO 0.12 0.69 0.45 -0.08 0.09 0.00 0.00 178.44 179.72 1x54 h GLU 256 N 1.14 0.89 0.00 1.13 4.81 -1.01 -3.17 114.58 118.36 1x54 h GLU 256 Ca 0.32 -0.05 -0.32 0.00 -0.13 0.00 0.00 59.36 59.17 1x54 h GLU 256 Cb -0.11 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.01 1x54 h GLU 256 CO -0.07 0.59 -2.29 1.28 -0.73 0.00 0.00 179.01 177.79 1x54 n LEU 257 N -4.62 0.07 -0.61 1.64 4.77 -0.85 -4.58 117.00 112.82 1x54 n LEU 257 Ca 0.06 0.03 0.06 0.00 -0.03 0.00 0.00 56.01 56.14 1x54 n LEU 257 Cb 0.04 0.42 0.20 0.00 -2.33 0.00 0.00 43.42 41.74 1x54 n LEU 257 CO 0.35 0.43 0.36 0.54 -1.33 0.00 0.00 177.39 177.74 1x54 n ARG 258 N -2.72 1.52 -0.27 3.23 5.12 0.46 -4.79 116.66 119.21 1x54 n ARG 258 Ca -0.28 -3.24 0.04 0.00 -1.93 0.00 0.00 57.85 52.44 1x54 n ARG 258 Cb 1.08 -1.56 0.17 0.00 -1.16 0.00 0.00 32.46 31.00 1x54 n ARG 258 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1x54 h LYS 259 N 0.97 0.63 -0.44 5.56 3.64 -1.68 -0.41 116.57 124.84 1x54 h LYS 259 Ca -0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1x54 h LYS 259 Cb 1.03 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 1x54 h LYS 259 CO 0.00 0.42 0.27 -0.22 -2.27 0.00 0.00 179.45 177.65 1x54 h LYS 260 N 0.65 0.59 -0.46 1.90 3.64 -1.91 -0.18 116.57 120.81 1x54 h LYS 260 Ca 0.40 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.65 1x54 h LYS 260 Cb 0.47 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1x54 h LYS 260 CO -0.30 0.42 -0.04 0.93 -2.27 0.00 0.00 179.45 178.19 1x54 h GLU 261 N 0.58 0.83 -0.56 1.90 3.07 -1.77 -2.99 114.58 115.64 1x54 h GLU 261 Ca 0.16 -0.28 -0.04 0.00 -0.50 0.00 0.00 59.36 58.69 1x54 h GLU 261 Cb -0.02 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 27.80 1x54 h GLU 261 CO -0.03 0.90 0.17 0.82 -1.40 0.00 0.00 179.01 179.47 1x54 h ILE 262 N 0.67 1.22 0.00 3.13 2.04 -0.66 -1.93 117.51 121.99 1x54 h ILE 262 Ca 0.12 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1x54 h ILE 262 Cb 0.55 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1x54 h ILE 262 CO 0.03 0.29 0.00 -0.62 0.00 0.00 0.00 178.15 177.85 1x54 n GLU 263 N -4.29 0.16 0.26 2.37 1.02 -0.12 -1.11 120.64 118.93 1x54 n GLU 263 Ca 0.04 0.39 0.14 0.00 -0.02 0.00 0.00 57.16 57.72 1x54 n GLU 263 Cb 0.20 -1.80 0.68 0.00 -0.02 0.00 0.00 31.44 30.51 1x54 n GLU 263 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1x54 h MET 264 N 0.00 0.00 0.00 3.49 2.86 -1.21 -3.34 114.93 116.73 1x54 h MET 264 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1x54 h MET 264 Cb 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1x54 h MET 264 CO 0.00 0.10 -1.32 1.19 1.06 0.00 0.00 176.91 177.95 1x54 n PHE 265 N -3.33 0.00 -4.94 -0.22 3.01 -0.26 -5.02 117.46 106.69 1x54 n PHE 265 Ca -0.01 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.18 1x54 n PHE 265 Cb 0.30 -0.19 -0.16 0.00 -0.01 0.00 0.00 39.48 39.42 1x54 n PHE 265 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x54 s ARG 266 N -2.31 1.98 0.28 -1.08 0.52 -0.53 -4.74 118.95 113.07 1x54 s ARG 266 Ca -0.02 -0.68 0.21 0.00 -0.52 0.00 0.00 55.73 54.72 1x54 s ARG 266 Cb 0.03 -1.71 0.12 0.00 0.52 0.00 0.00 34.95 33.91 1x54 s ARG 266 CO 0.24 0.28 1.27 -0.44 0.02 0.00 0.00 175.30 176.67 1x54 h ASP 267 N 6.21 0.00 -3.25 0.23 3.32 -1.89 -3.42 116.42 117.62 1x54 h ASP 267 Ca -0.32 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.26 1x54 h ASP 267 Cb 1.17 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.34 1x54 h ASP 267 CO 0.48 0.11 -0.77 -0.62 -1.72 0.00 0.00 179.24 176.72 1x54 s ASP 268 N -5.83 2.03 0.00 6.45 3.68 -1.26 -5.00 116.67 116.74 1x54 s ASP 268 Ca 0.02 -0.33 0.23 0.00 2.13 0.00 0.00 52.55 54.61 1x54 s ASP 268 Cb 0.08 -0.51 0.63 0.00 -1.45 0.00 0.00 42.92 41.66 1x54 s ASP 268 CO 0.74 -0.22 1.50 0.18 0.13 0.00 0.00 175.17 177.50 1x54 n LEU 269 N 5.11 2.33 -0.12 -1.34 4.77 -1.26 -4.67 117.00 121.82 1x54 n LEU 269 Ca -0.08 -0.92 -0.05 0.00 -0.03 0.00 0.00 56.01 54.92 1x54 n LEU 269 Cb 0.49 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 1x54 n LEU 269 CO 0.12 0.46 0.72 0.74 -1.33 0.00 0.00 177.39 178.10 1x54 h THR 270 N 3.23 0.42 -0.21 -5.08 2.02 -1.97 -0.40 112.91 110.92 1x54 h THR 270 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1x54 h THR 270 Cb 0.70 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1x54 h THR 270 CO 0.00 0.00 -0.05 0.71 0.37 0.00 0.00 175.52 176.55 1x54 h THR 271 N -0.12 1.17 -0.22 3.16 1.35 -1.83 0.73 112.91 117.14 1x54 h THR 271 Ca 0.19 -0.68 -0.08 0.00 -0.55 0.00 0.00 66.41 65.30 1x54 h THR 271 Cb 0.42 1.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1x54 h THR 271 CO -0.47 0.22 -0.16 -0.07 -0.25 0.00 0.00 175.52 174.78 1x54 h LEU 272 N 0.32 0.53 -1.56 3.87 3.38 -1.59 -3.02 115.31 117.24 1x54 h LEU 272 Ca 0.07 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1x54 h LEU 272 Cb 0.30 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1x54 h LEU 272 CO 0.01 0.87 0.12 0.11 0.09 0.00 0.00 178.44 179.64 1x54 h LYS 273 N 0.20 0.41 0.00 1.13 1.79 -0.46 -1.57 116.57 118.07 1x54 h LYS 273 Ca 0.04 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1x54 h LYS 273 Cb 0.69 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1x54 h LYS 273 CO 0.04 0.35 0.00 0.09 -1.08 0.00 0.00 179.45 178.85 1x54 n ASN 274 N -4.42 0.00 -4.53 0.86 3.02 0.19 -4.57 115.26 105.82 1x54 n ASN 274 Ca 0.01 0.29 -0.43 0.00 -0.03 0.00 0.00 54.58 54.42 1x54 n ASN 274 Cb 0.13 -0.41 -0.00 0.00 -0.61 0.00 0.00 39.78 38.89 1x54 n ASN 274 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1x54 s THR 275 N -2.82 4.52 0.02 3.41 2.01 -0.59 -4.87 115.64 117.32 1x54 s THR 275 Ca 0.12 -2.19 -0.00 0.00 0.31 0.00 0.00 61.69 59.94 1x54 s THR 275 Cb 0.12 -5.06 -0.02 0.00 0.01 0.00 0.00 72.50 67.54 1x54 s THR 275 CO 0.31 -1.84 -0.03 -1.61 -0.69 0.00 0.00 174.62 170.76 1x54 s GLU 276 N 3.09 0.34 0.58 4.92 0.41 -1.26 -4.55 118.70 122.23 1x54 s GLU 276 Ca 0.49 -0.65 -0.19 0.00 -0.41 0.00 0.00 54.97 54.20 1x54 s GLU 276 Cb 0.01 0.12 -0.04 0.00 -1.78 0.00 0.00 34.13 32.44 1x54 s GLU 276 CO 0.04 -0.06 1.17 -2.14 -0.49 0.00 0.00 175.26 173.79 1x54 s PRO 277 N -1.65 3.07 -0.01 0.39 0.02 -1.26 -4.15 135.00 131.41 1x54 s PRO 277 Ca -0.14 1.73 -0.18 0.00 0.02 0.00 0.00 61.00 62.43 1x54 s PRO 277 Cb -0.09 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.43 1x54 s PRO 277 CO -0.02 -1.10 0.49 -1.25 -0.33 0.00 0.00 177.00 174.79 1x54 s PRO 278 N -3.37 4.15 0.45 5.54 0.04 -1.26 -5.16 135.00 135.39 1x54 s PRO 278 Ca 0.75 0.55 -0.23 0.00 0.04 0.00 0.00 61.00 62.12 1x54 s PRO 278 Cb -0.27 -3.30 -0.08 0.00 0.04 0.00 0.00 34.50 30.89 1x54 s PRO 278 CO 0.32 0.50 1.10 -0.06 0.04 0.00 0.00 177.00 178.89 1x54 s PHE 279 N -0.53 3.03 0.49 0.56 0.08 -1.26 -5.00 117.98 115.35 1x54 s PHE 279 Ca 0.27 1.58 -0.23 0.00 0.12 0.00 0.00 56.93 58.67 1x54 s PHE 279 Cb -0.17 -3.22 -0.07 0.00 -0.57 0.00 0.00 43.02 38.98 1x54 s PHE 279 CO 0.15 -1.06 1.25 -2.30 -0.10 0.00 0.00 175.22 173.16 1x54 n PRO 280 N -0.46 1.69 -4.31 0.24 -0.02 -1.26 -4.80 135.00 126.09 1x54 n PRO 280 Ca 0.07 0.61 -0.27 0.00 -2.02 0.00 0.00 63.50 61.90 1x54 n PRO 280 Cb 0.50 -2.41 -0.17 0.00 -0.02 0.00 0.00 33.50 31.39 1x54 n PRO 280 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1x54 s ARG 281 N -2.51 1.84 0.06 -0.52 0.52 -1.26 -0.81 118.95 116.27 1x54 s ARG 281 Ca 0.67 -0.42 0.08 0.00 -0.52 0.00 0.00 55.73 55.54 1x54 s ARG 281 Cb -0.46 -1.65 -0.03 0.00 0.52 0.00 0.00 34.95 33.33 1x54 s ARG 281 CO 0.53 -0.10 -0.22 0.96 0.02 0.00 0.00 175.30 176.49 1x54 s ILE 282 N 1.12 1.76 0.70 1.52 -4.36 -0.14 -4.97 121.20 116.83 1x54 s ILE 282 Ca -0.05 -1.34 -0.12 0.00 -0.26 0.00 0.00 60.65 58.88 1x54 s ILE 282 Cb -0.14 -1.54 0.02 0.00 1.25 0.00 0.00 42.46 42.04 1x54 s ILE 282 CO -0.02 0.15 1.07 -0.94 0.24 0.00 0.00 174.94 175.43 1x54 s SER 283 N -1.42 5.14 0.32 4.36 1.04 -1.26 -1.61 113.70 120.26 1x54 s SER 283 Ca 0.08 1.73 0.04 0.00 0.48 0.00 0.00 55.95 58.28 1x54 s SER 283 Cb -0.09 -2.51 0.64 0.00 0.10 0.00 0.00 66.02 64.15 1x54 s SER 283 CO 0.03 -1.60 1.88 0.22 0.98 0.00 0.00 173.24 174.74 1x54 h TYR 284 N -0.64 0.99 -0.28 5.02 3.20 -0.94 0.47 116.97 124.78 1x54 h TYR 284 Ca -0.44 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.49 1x54 h TYR 284 Cb 1.22 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 1x54 h TYR 284 CO 0.60 0.43 0.06 -0.44 -1.64 0.00 0.00 178.16 177.18 1x54 h ASP 285 N 0.90 0.03 -0.82 -2.11 5.19 -1.83 -0.37 116.42 117.42 1x54 h ASP 285 Ca 0.44 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.87 1x54 h ASP 285 Cb 0.45 0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.97 1x54 h ASP 285 CO -0.20 0.05 0.47 -0.33 -3.12 0.00 0.00 179.24 176.11 1x54 h GLU 286 N 0.17 1.13 -0.53 3.56 5.08 -1.70 -1.93 114.58 120.36 1x54 h GLU 286 Ca 0.13 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1x54 h GLU 286 Cb 0.13 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1x54 h GLU 286 CO -0.16 0.82 0.32 0.00 -1.00 0.00 0.00 179.01 178.99 1x54 h ALA 287 N 1.25 0.68 -0.40 3.43 0.00 -0.28 0.39 119.26 124.33 1x54 h ALA 287 Ca 0.29 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1x54 h ALA 287 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1x54 h ALA 287 CO -0.05 0.04 0.26 0.82 0.00 0.00 0.00 179.25 180.31 1x54 h ILE 288 N 0.64 1.08 -0.27 0.00 1.08 -0.83 -0.16 117.51 119.04 1x54 h ILE 288 Ca 0.21 -0.18 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1x54 h ILE 288 Cb 0.01 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 1x54 h ILE 288 CO -0.09 0.10 0.15 0.44 -0.69 0.00 0.00 178.15 178.06 1x54 h ASP 289 N 0.52 0.33 -0.25 1.72 3.32 -0.94 0.10 116.42 121.23 1x54 h ASP 289 Ca 0.15 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.17 1x54 h ASP 289 Cb -0.04 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 1x54 h ASP 289 CO -0.05 0.31 0.02 0.40 -1.72 0.00 0.00 179.24 178.20 1x54 h ILE 290 N 0.33 0.84 -0.24 0.35 2.04 -0.69 -0.54 117.51 119.60 1x54 h ILE 290 Ca 0.10 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1x54 h ILE 290 Cb 0.05 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1x54 h ILE 290 CO -0.02 0.02 0.15 -0.07 0.00 0.00 0.00 178.15 178.23 1x54 h LEU 291 N 0.10 0.29 -1.29 1.44 3.38 -0.75 -2.49 115.31 115.99 1x54 h LEU 291 Ca 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1x54 h LEU 291 Cb 0.14 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1x54 h LEU 291 CO -0.18 0.25 0.29 1.56 0.09 0.00 0.00 178.44 180.46 1x54 h GLN 292 N 0.31 0.78 0.00 1.13 4.20 -0.66 -0.87 115.11 120.00 1x54 h GLN 292 Ca 0.09 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1x54 h GLN 292 Cb 0.01 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 1x54 h GLN 292 CO -0.02 0.59 -0.08 0.66 -0.67 0.00 0.00 178.83 179.31 1x54 h SER 293 N 0.79 0.00 -0.70 1.46 4.64 -0.70 -2.26 113.55 116.78 1x54 h SER 293 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1x54 h SER 293 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1x54 h SER 293 CO -0.03 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 1x54 n LYS 294 N -3.27 3.17 -0.66 4.77 5.02 -0.83 -4.94 118.16 121.42 1x54 n LYS 294 Ca -0.00 -2.74 0.00 0.00 -2.02 0.00 0.00 58.31 53.55 1x54 n LYS 294 Cb 0.30 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1x54 n LYS 294 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x54 n GLY 295 N 1.44 0.67 3.72 0.72 0.00 -0.85 -5.05 105.19 105.84 1x54 n GLY 295 Ca 0.25 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1x54 n GLY 295 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x54 s VAL 296 N -2.00 4.66 -1.34 1.61 1.01 -0.39 -4.95 120.40 119.00 1x54 s VAL 296 Ca 0.00 2.00 -0.16 0.00 0.00 0.00 0.00 61.98 63.82 1x54 s VAL 296 Cb 0.00 -4.28 0.08 0.00 0.00 0.00 0.00 36.38 32.18 1x54 s VAL 296 CO 0.00 0.20 1.87 -3.20 0.00 0.00 0.00 175.10 173.98 1x54 n ASN 297 N 3.54 4.64 -4.23 3.32 4.05 -1.26 -4.12 115.26 121.19 1x54 n ASN 297 Ca 0.05 -2.91 -0.28 0.00 0.45 0.00 0.00 54.58 51.88 1x54 n ASN 297 Cb 0.50 -1.68 -0.16 0.00 1.23 0.00 0.00 39.78 39.67 1x54 n ASN 297 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1x54 s VAL 298 N 3.33 1.74 0.03 3.44 0.11 -1.26 -5.14 120.40 122.66 1x54 s VAL 298 Ca 0.49 -0.93 0.04 0.00 -2.93 0.00 0.00 61.98 58.66 1x54 s VAL 298 Cb 0.07 -1.46 -0.04 0.00 -1.53 0.00 0.00 36.38 33.43 1x54 s VAL 298 CO 0.01 0.49 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.59 1x54 s GLU 299 N -0.40 2.44 0.16 1.54 2.02 -1.26 -4.86 118.70 118.34 1x54 s GLU 299 Ca 0.05 -0.81 -0.34 0.00 0.02 0.00 0.00 54.97 53.90 1x54 s GLU 299 Cb -0.10 -2.45 -0.14 0.00 0.10 0.00 0.00 34.13 31.54 1x54 s GLU 299 CO 0.00 0.57 1.53 1.87 0.02 0.00 0.00 175.26 179.25 1x54 n TRP 300 N 1.29 2.16 0.00 1.61 -0.00 -1.26 -1.32 117.44 119.92 1x54 n TRP 300 Ca -0.15 0.34 0.00 0.00 -0.00 0.00 0.00 57.50 57.69 1x54 n TRP 300 Cb 0.52 -2.51 0.00 0.00 -0.00 0.00 0.00 31.31 29.33 1x54 n TRP 300 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1x54 n GLY 301 N 3.15 3.01 3.79 5.87 0.00 -1.26 -5.08 105.19 114.67 1x54 n GLY 301 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1x54 n GLY 301 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x54 s ASP 302 N -1.35 6.70 0.46 1.61 1.01 -0.43 -4.80 116.67 119.86 1x54 s ASP 302 Ca 0.00 1.93 -0.23 0.00 0.71 0.00 0.00 52.55 54.96 1x54 s ASP 302 Cb 0.00 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.29 1x54 s ASP 302 CO 0.00 -0.53 1.20 -0.62 0.21 0.00 0.00 175.17 175.43 1x54 s ASP 303 N -1.81 6.09 -0.62 0.27 3.68 -1.26 -4.96 116.67 118.06 1x54 s ASP 303 Ca 0.61 2.39 -0.22 0.00 2.13 0.00 0.00 52.55 57.47 1x54 s ASP 303 Cb -0.18 -2.61 0.07 0.00 -1.45 0.00 0.00 42.92 38.76 1x54 s ASP 303 CO 0.22 -0.98 0.87 -0.76 0.13 0.00 0.00 175.17 174.65 1x54 s LEU 304 N -3.01 4.64 1.06 -1.34 1.43 -1.26 -5.03 118.68 115.17 1x54 s LEU 304 Ca 0.64 -1.02 -0.18 0.00 -1.03 0.00 0.00 54.13 52.54 1x54 s LEU 304 Cb -0.31 -2.44 0.25 0.00 0.03 0.00 0.00 46.19 43.72 1x54 s LEU 304 CO 0.38 -1.29 1.30 -0.83 0.23 0.00 0.00 176.35 176.14 1x54 s GLY 305 N 3.49 1.77 0.30 -3.19 0.00 -1.26 -4.74 107.32 103.69 1x54 s GLY 305 Ca 0.20 -1.28 -0.00 0.00 0.00 0.00 0.00 44.72 43.64 1x54 s GLY 305 CO 0.10 -0.41 1.93 0.00 0.00 0.00 0.00 173.10 174.72 1x54 h ALA 306 N -2.00 1.48 -0.19 3.20 0.00 -1.99 -0.10 119.26 119.66 1x54 h ALA 306 Ca -0.44 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.27 1x54 h ALA 306 Cb 1.23 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1x54 h ALA 306 CO 0.31 0.41 -0.56 0.22 0.00 0.00 0.00 179.25 179.63 1x54 h ASP 307 N 1.07 0.65 -0.32 0.00 -0.00 -1.98 -0.06 116.42 115.79 1x54 h ASP 307 Ca 0.37 -0.35 -0.02 0.00 -0.00 0.00 0.00 57.03 57.02 1x54 h ASP 307 Cb 0.10 -0.19 -0.01 0.00 -0.00 0.00 0.00 39.33 39.23 1x54 h ASP 307 CO -0.12 1.08 0.11 -0.33 -0.00 0.00 0.00 179.24 179.97 1x54 h GLU 308 N 0.45 0.50 -0.89 0.28 3.07 -1.79 -2.58 114.58 113.61 1x54 h GLU 308 Ca 0.01 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1x54 h GLU 308 Cb 1.12 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.91 1x54 h GLU 308 CO 0.11 0.53 0.54 0.93 -1.40 0.00 0.00 179.01 179.71 1x54 h GLU 309 N 0.37 1.21 -0.07 2.33 5.08 -0.88 -1.61 114.58 121.00 1x54 h GLU 309 Ca 0.10 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1x54 h GLU 309 Cb 0.23 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1x54 h GLU 309 CO -0.00 0.85 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.64 1x54 h ARG 310 N 1.23 -0.17 -0.52 2.33 2.43 -0.82 -0.82 114.38 118.05 1x54 h ARG 310 Ca 0.32 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.48 1x54 h ARG 310 Cb -0.05 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1x54 h ARG 310 CO -0.06 -0.11 0.23 0.28 -1.51 0.00 0.00 179.97 178.80 1x54 h VAL 311 N -0.17 1.21 -1.01 0.20 2.07 -1.28 -2.64 116.25 114.63 1x54 h VAL 311 Ca 0.07 -0.62 0.10 0.00 0.82 0.00 0.00 66.70 67.07 1x54 h VAL 311 Cb 0.26 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 1x54 h VAL 311 CO -0.17 0.24 0.64 0.25 0.02 0.00 0.00 177.57 178.55 1x54 h LEU 312 N 0.69 0.96 -2.42 2.57 5.85 -0.90 -1.79 115.31 120.27 1x54 h LEU 312 Ca 0.18 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1x54 h LEU 312 Cb 0.16 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1x54 h LEU 312 CO -0.02 0.54 0.00 0.71 -0.34 0.00 0.00 178.44 179.34 1x54 h THR 313 N 1.05 0.00 -0.21 1.05 1.35 -0.77 -2.77 112.91 112.61 1x54 h THR 313 Ca 0.48 -0.16 0.06 0.00 -0.55 0.00 0.00 66.41 66.24 1x54 h THR 313 Cb 0.39 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1x54 h THR 313 CO -0.24 0.00 0.24 -0.33 -0.25 0.00 0.00 175.52 174.94 1x54 h GLU 314 N 0.00 0.00 -0.13 4.72 5.08 -1.36 -1.38 114.58 121.51 1x54 h GLU 314 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x54 h GLU 314 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1x54 h GLU 314 CO 0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1x54 n GLU 315 N -3.75 1.78 -4.16 2.33 -0.58 -1.05 -4.92 120.64 110.29 1x54 n GLU 315 Ca 0.02 -1.16 -0.17 0.00 -0.42 0.00 0.00 57.16 55.43 1x54 n GLU 315 Cb 0.37 -1.43 -0.12 0.00 -0.57 0.00 0.00 31.44 29.69 1x54 n GLU 315 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1x54 s PHE 316 N -1.84 1.10 -0.13 -0.32 0.40 -0.52 -5.05 117.98 111.62 1x54 s PHE 316 Ca 0.34 -0.45 0.18 0.00 -0.60 0.00 0.00 56.93 56.40 1x54 s PHE 316 Cb 0.19 -0.63 0.28 0.00 0.51 0.00 0.00 43.02 43.37 1x54 s PHE 316 CO 0.29 0.03 1.14 -0.40 0.70 0.00 0.00 175.22 176.98 1x54 n ASP 317 N 1.39 2.23 -3.70 1.36 5.75 -1.26 -4.64 116.55 117.68 1x54 n ASP 317 Ca -0.21 -3.06 -0.03 0.00 -0.01 0.00 0.00 54.79 51.48 1x54 n ASP 317 Cb 0.54 -0.42 -0.01 0.00 -1.03 0.00 0.00 41.12 40.20 1x54 n ASP 317 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x54 s ARG 318 N -2.75 1.00 0.64 0.11 1.70 -1.26 -4.39 118.95 114.00 1x54 s ARG 318 Ca 0.31 -0.53 -0.18 0.00 -0.47 0.00 0.00 55.73 54.86 1x54 s ARG 318 Cb 0.27 0.35 -0.02 0.00 -0.57 0.00 0.00 34.95 34.99 1x54 s ARG 318 CO 0.03 -0.46 1.22 -2.30 -1.08 0.00 0.00 175.30 172.71 1x54 n PRO 319 N -0.44 1.06 -3.89 3.89 -0.02 -1.26 -4.32 135.00 130.02 1x54 n PRO 319 Ca -0.07 0.42 -0.09 0.00 -2.02 0.00 0.00 63.50 61.74 1x54 n PRO 319 Cb 0.61 -2.45 -0.08 0.00 -0.02 0.00 0.00 33.50 31.56 1x54 n PRO 319 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1x54 s PHE 320 N -1.41 0.18 -0.05 6.00 -0.71 -0.49 -4.17 117.98 117.33 1x54 s PHE 320 Ca 0.82 -0.57 -0.03 0.00 -1.04 0.00 0.00 56.93 56.11 1x54 s PHE 320 Cb -0.39 -0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.28 1x54 s PHE 320 CO 0.41 -0.48 0.12 -0.06 -1.34 0.00 0.00 175.22 173.87 1x54 s PHE 321 N -3.44 3.43 -0.13 3.49 0.08 0.01 -0.43 117.98 120.99 1x54 s PHE 321 Ca 0.02 0.34 0.01 0.00 0.12 0.00 0.00 56.93 57.42 1x54 s PHE 321 Cb 0.03 -1.83 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 1x54 s PHE 321 CO -0.09 0.62 -0.17 0.08 -0.10 0.00 0.00 175.22 175.57 1x54 s VAL 322 N -1.14 2.67 0.13 -0.44 1.01 -0.38 -0.97 120.40 121.27 1x54 s VAL 322 Ca 0.21 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1x54 s VAL 322 Cb -0.12 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1x54 s VAL 322 CO 0.11 0.53 -0.11 -0.72 0.00 0.00 0.00 175.10 174.91 1x54 s TYR 323 N 0.52 1.27 -0.15 5.22 1.13 -0.64 -1.11 117.35 123.58 1x54 s TYR 323 Ca -0.11 -0.67 -0.01 0.00 -1.41 0.00 0.00 57.07 54.88 1x54 s TYR 323 Cb -0.16 -0.66 -0.01 0.00 -1.10 0.00 0.00 41.96 40.04 1x54 s TYR 323 CO 0.04 0.09 0.14 0.41 -2.51 0.00 0.00 175.55 173.72 1x54 n GLY 324 N 0.18 0.13 3.87 5.49 0.00 -0.27 -0.45 105.19 114.14 1x54 n GLY 324 Ca -0.13 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1x54 n GLY 324 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x54 s TYR 325 N -3.04 3.46 0.25 1.61 1.51 -1.18 -4.28 117.35 115.69 1x54 s TYR 325 Ca 0.04 1.04 -0.31 0.00 -1.01 0.00 0.00 57.07 56.83 1x54 s TYR 325 Cb -0.01 -2.43 -0.13 0.00 -0.11 0.00 0.00 41.96 39.28 1x54 s TYR 325 CO 0.12 -0.06 1.36 -2.30 -1.11 0.00 0.00 175.55 173.56 1x54 n PRO 326 N -1.16 1.96 -0.26 -1.71 -0.02 -1.26 -0.66 135.00 131.89 1x54 n PRO 326 Ca 0.02 0.70 0.03 0.00 -2.02 0.00 0.00 63.50 62.23 1x54 n PRO 326 Cb 0.54 -2.32 0.16 0.00 -0.02 0.00 0.00 33.50 31.85 1x54 n PRO 326 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1x54 h LYS 327 N 3.84 0.60 -0.09 -0.52 3.64 -1.47 -2.91 116.57 119.65 1x54 h LYS 327 Ca -0.45 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1x54 h LYS 327 Cb 1.28 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1x54 h LYS 327 CO 0.73 0.40 0.00 0.72 -2.27 0.00 0.00 179.45 179.03 1x54 n HIS 328 N -4.86 0.12 -0.35 1.91 8.25 -1.26 -2.05 115.22 116.98 1x54 n HIS 328 Ca 0.12 -0.06 0.08 0.00 -0.26 0.00 0.00 57.72 57.61 1x54 n HIS 328 Cb 0.31 0.00 0.23 0.00 1.12 0.00 0.00 29.99 31.65 1x54 n HIS 328 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1x54 n ILE 329 N -0.17 1.20 -4.42 1.59 -5.35 -1.10 -5.00 119.36 106.11 1x54 n ILE 329 Ca 0.15 -1.10 -0.21 0.00 -0.27 0.00 0.00 62.75 61.32 1x54 n ILE 329 Cb 0.21 0.40 -0.10 0.00 -1.74 0.00 0.00 39.64 38.40 1x54 n ILE 329 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1x54 s LYS 330 N -1.25 1.53 0.77 6.28 -0.14 -0.87 -5.03 119.74 121.03 1x54 s LYS 330 Ca 0.35 -1.76 -0.13 0.00 -1.36 0.00 0.00 55.97 53.08 1x54 s LYS 330 Cb 0.20 -1.21 0.06 0.00 -1.68 0.00 0.00 37.83 35.20 1x54 s LYS 330 CO 0.21 0.09 1.14 0.00 -0.76 0.00 0.00 175.35 176.02 1x54 s ALA 331 N -2.96 2.09 0.61 5.17 0.00 -1.26 -4.91 121.76 120.49 1x54 s ALA 331 Ca 0.28 0.57 0.33 0.00 0.00 0.00 0.00 51.96 53.14 1x54 s ALA 331 Cb 0.02 -3.38 1.97 0.00 0.00 0.00 0.00 23.12 21.73 1x54 s ALA 331 CO 0.11 -1.91 2.28 0.27 0.00 0.00 0.00 175.76 176.52 1x54 h PHE 332 N -0.81 0.00 -0.01 0.00 -5.15 -1.93 -2.97 116.94 106.06 1x54 h PHE 332 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1x54 h PHE 332 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.43 1x54 h PHE 332 CO 0.53 0.00 -0.03 2.48 -2.00 0.00 0.00 178.31 179.29 1x54 n TYR 333 N -3.67 0.00 -2.95 6.09 0.18 -1.26 -4.78 117.16 110.77 1x54 n TYR 333 Ca -0.03 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.36 1x54 n TYR 333 Cb 0.08 -0.02 -0.06 0.00 -0.38 0.00 0.00 39.34 38.96 1x54 n TYR 333 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 1x54 s MET 334 N -2.06 4.55 0.18 -3.48 -1.94 -1.12 -0.64 119.30 114.78 1x54 s MET 334 Ca 0.38 1.17 -0.30 0.00 -1.71 0.00 0.00 55.69 55.22 1x54 s MET 334 Cb 0.21 -3.14 -0.08 0.00 2.01 0.00 0.00 34.83 33.83 1x54 s MET 334 CO 0.36 0.50 1.15 0.21 -0.01 0.00 0.00 175.02 177.23 1x54 s LYS 335 N -1.41 4.54 0.48 2.03 2.20 -0.67 -4.44 119.74 122.47 1x54 s LYS 335 Ca 0.39 1.80 -0.23 0.00 -0.36 0.00 0.00 55.97 57.57 1x54 s LYS 335 Cb -0.22 -3.26 -0.07 0.00 -1.51 0.00 0.00 37.83 32.78 1x54 s LYS 335 CO 0.26 -0.01 1.28 -1.21 -0.36 0.00 0.00 175.35 175.30 1x54 s GLU 336 N -0.29 3.56 -0.06 4.03 2.02 -1.26 -0.43 118.70 126.28 1x54 s GLU 336 Ca 0.51 2.05 -0.30 0.00 0.02 0.00 0.00 54.97 57.26 1x54 s GLU 336 Cb -0.31 -2.43 -0.06 0.00 0.10 0.00 0.00 34.13 31.43 1x54 s GLU 336 CO 0.36 -0.79 1.67 0.34 0.02 0.00 0.00 175.26 176.86 1x54 s ASP 337 N -1.04 6.64 0.46 -0.19 3.68 -0.11 -4.62 116.67 121.48 1x54 s ASP 337 Ca 0.65 2.24 0.23 0.00 2.13 0.00 0.00 52.55 57.80 1x54 s ASP 337 Cb -0.36 -2.53 1.11 0.00 -1.45 0.00 0.00 42.92 39.69 1x54 s ASP 337 CO 0.43 -0.95 1.93 1.55 0.13 0.00 0.00 175.17 178.27 1x54 h PRO 338 N 9.65 0.00 0.00 4.34 0.13 -1.93 -2.18 132.00 142.02 1x54 h PRO 338 Ca -0.40 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.56 1x54 h PRO 338 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1x54 h PRO 338 CO 0.95 0.22 -0.81 -0.91 -0.23 0.00 0.00 178.00 177.23 1x54 h ASN 339 N 0.00 0.00 -1.77 1.44 -0.26 -1.98 -3.42 115.58 109.60 1x54 h ASN 339 Ca -0.00 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.42 1x54 h ASN 339 Cb 0.55 0.00 -0.29 0.00 -1.06 0.00 0.00 38.32 37.53 1x54 h ASN 339 CO 0.03 0.81 -0.66 -0.62 -1.06 0.00 0.00 177.43 175.93 1x54 s ASP 340 N -6.63 0.60 0.00 5.81 3.68 -0.89 -5.01 116.67 114.23 1x54 s ASP 340 Ca 0.02 -1.56 0.04 0.00 2.13 0.00 0.00 52.55 53.17 1x54 s ASP 340 Cb 0.09 0.80 0.21 0.00 -1.45 0.00 0.00 42.92 42.58 1x54 s ASP 340 CO 0.79 -0.23 0.88 -2.65 0.13 0.00 0.00 175.17 174.09 1x54 n PRO 341 N 4.10 0.08 0.23 4.34 -0.02 -0.87 -1.01 135.00 141.85 1x54 n PRO 341 Ca 0.13 0.17 0.15 0.00 -2.02 0.00 0.00 63.50 61.93 1x54 n PRO 341 Cb 0.48 -1.50 0.61 0.00 -0.02 0.00 0.00 33.50 33.07 1x54 n PRO 341 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x54 h ARG 342 N 0.00 0.00 -6.13 -0.52 3.08 -1.95 -3.45 114.38 105.41 1x54 h ARG 342 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1x54 h ARG 342 Cb 0.02 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.98 1x54 h ARG 342 CO 0.00 0.00 -0.62 0.15 -1.07 0.00 0.00 179.97 178.43 1x54 s LYS 343 N -3.54 2.22 0.22 0.04 1.02 -0.18 -1.29 119.74 118.24 1x54 s LYS 343 Ca 0.02 -1.56 0.11 0.00 0.02 0.00 0.00 55.97 54.57 1x54 s LYS 343 Cb 0.09 -2.08 -0.05 0.00 -0.52 0.00 0.00 37.83 35.27 1x54 s LYS 343 CO 0.50 0.24 -0.21 0.14 -0.92 0.00 0.00 175.35 175.10 1x54 s VAL 344 N -2.41 2.50 -1.41 3.17 -7.23 0.17 -0.93 120.40 114.25 1x54 s VAL 344 Ca 0.34 -2.13 -0.13 0.00 -1.81 0.00 0.00 61.98 58.25 1x54 s VAL 344 Cb -0.04 -2.25 0.07 0.00 0.56 0.00 0.00 36.38 34.73 1x54 s VAL 344 CO 0.20 -0.22 2.12 0.18 -0.31 0.00 0.00 175.10 177.07 1x54 n LEU 345 N -0.09 6.70 -4.46 1.32 4.77 0.43 -3.08 117.00 122.59 1x54 n LEU 345 Ca -0.10 -4.25 -0.29 0.00 -0.03 0.00 0.00 56.01 51.34 1x54 n LEU 345 Cb 0.57 -1.62 -0.12 0.00 -2.33 0.00 0.00 43.42 39.92 1x54 n LEU 345 CO 0.33 1.12 -0.51 0.00 -1.33 0.00 0.00 177.39 177.00 1x54 s ALA 346 N 2.60 2.61 -0.01 -1.18 0.00 -1.26 -0.92 121.76 123.60 1x54 s ALA 346 Ca 0.46 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 1x54 s ALA 346 Cb 0.12 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 1x54 s ALA 346 CO -0.06 0.58 0.08 -1.54 0.00 0.00 0.00 175.76 174.82 1x54 s SER 347 N -2.08 0.04 0.06 0.00 1.04 -0.66 -1.12 113.70 110.97 1x54 s SER 347 Ca 0.17 -0.14 0.06 0.00 0.48 0.00 0.00 55.95 56.52 1x54 s SER 347 Cb -0.10 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 1x54 s SER 347 CO 0.09 -0.23 -0.12 -1.81 0.98 0.00 0.00 173.24 172.15 1x54 s ASP 348 N -0.89 4.25 -0.22 7.02 1.01 -0.27 -1.44 116.67 126.13 1x54 s ASP 348 Ca -0.10 -0.34 -0.07 0.00 0.71 0.00 0.00 52.55 52.75 1x54 s ASP 348 Cb -0.06 -0.82 -0.03 0.00 1.01 0.00 0.00 42.92 43.02 1x54 s ASP 348 CO 0.00 0.23 0.06 -0.32 0.21 0.00 0.00 175.17 175.35 1x54 s MET 349 N -1.74 3.77 -0.10 8.23 -2.45 -0.10 -1.25 119.30 125.67 1x54 s MET 349 Ca 0.18 -0.43 -0.01 0.00 -1.25 0.00 0.00 55.69 54.17 1x54 s MET 349 Cb -0.11 -3.25 -0.03 0.00 1.25 0.00 0.00 34.83 32.69 1x54 s MET 349 CO 0.09 0.02 -0.03 -0.51 1.05 0.00 0.00 175.02 175.64 1x54 s LEU 350 N 1.05 3.36 0.33 4.11 1.02 0.43 -0.47 118.68 128.50 1x54 s LEU 350 Ca 0.04 0.02 -0.17 0.00 0.02 0.00 0.00 54.13 54.04 1x54 s LEU 350 Cb -0.14 -1.77 -0.09 0.00 0.02 0.00 0.00 46.19 44.21 1x54 s LEU 350 CO 0.03 0.32 0.77 0.00 0.02 0.00 0.00 176.35 177.49 1x54 s ALA 351 N -0.54 3.29 1.00 4.21 0.00 0.91 -1.40 121.76 129.23 1x54 s ALA 351 Ca 0.09 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.15 1x54 s ALA 351 Cb -0.12 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.18 1x54 s ALA 351 CO 0.02 0.30 0.06 -0.35 0.00 0.00 0.00 175.76 175.79 1x54 n PRO 352 N -0.28 -0.43 -2.51 0.00 -0.04 -1.26 -1.63 135.00 128.85 1x54 n PRO 352 Ca 0.03 -0.10 -0.20 0.00 -0.04 0.00 0.00 63.50 63.19 1x54 n PRO 352 Cb 0.53 -0.07 -0.00 0.00 -0.04 0.00 0.00 33.50 33.91 1x54 n PRO 352 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x54 n GLU 353 N -1.33 -2.24 -0.25 0.54 1.02 -1.26 -2.20 120.64 114.93 1x54 n GLU 353 Ca 0.01 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 1x54 n GLU 353 Cb 0.03 -5.65 0.00 0.00 -0.02 0.00 0.00 31.44 25.80 1x54 n GLU 353 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x54 n GLY 354 N -1.08 1.48 0.25 0.62 0.00 -1.26 -4.94 105.19 100.26 1x54 n GLY 354 Ca -0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 1x54 n GLY 354 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1x54 h TYR 355 N 0.00 1.12 -0.01 1.61 0.05 -1.51 -3.41 116.97 114.81 1x54 h TYR 355 Ca 0.00 -0.39 0.00 0.00 0.05 0.00 0.00 58.73 58.39 1x54 h TYR 355 Cb 0.00 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.53 1x54 h TYR 355 CO 0.00 1.23 0.00 0.41 -1.05 0.00 0.00 178.16 178.75 1x54 n GLY 356 N 0.35 -0.18 3.68 3.88 0.00 -0.65 -4.82 105.19 107.45 1x54 n GLY 356 Ca -0.04 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1x54 n GLY 356 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x54 s GLU 357 N 0.00 4.14 -0.04 1.61 2.12 -1.26 -0.06 118.70 125.21 1x54 s GLU 357 Ca 0.00 2.61 0.08 0.00 0.36 0.00 0.00 54.97 58.02 1x54 s GLU 357 Cb 0.00 -3.81 -0.12 0.00 0.26 0.00 0.00 34.13 30.45 1x54 s GLU 357 CO 0.00 -0.89 0.13 0.44 -0.54 0.00 0.00 175.26 174.40 1x54 n ILE 358 N 5.05 0.21 -4.36 -3.70 -5.35 0.38 -4.88 119.36 106.71 1x54 n ILE 358 Ca 0.19 -0.26 -0.19 0.00 -0.27 0.00 0.00 62.75 62.21 1x54 n ILE 358 Cb 0.39 -0.10 -0.15 0.00 -1.74 0.00 0.00 39.64 38.04 1x54 n ILE 358 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1x54 s ILE 359 N -2.46 0.72 -0.12 7.28 1.01 -1.08 -1.66 121.20 124.90 1x54 s ILE 359 Ca -0.04 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.29 1x54 s ILE 359 Cb 0.04 -0.63 -0.00 0.00 0.01 0.00 0.00 42.46 41.88 1x54 s ILE 359 CO 0.36 0.22 -0.21 -0.83 0.00 0.00 0.00 174.94 174.48 1x54 s GLY 360 N 0.05 1.39 0.28 6.18 0.00 -0.74 -0.92 107.32 113.55 1x54 s GLY 360 Ca -0.01 -0.99 -0.06 0.00 0.00 0.00 0.00 44.72 43.66 1x54 s GLY 360 CO 0.00 -0.21 0.40 -0.32 0.00 0.00 0.00 173.10 172.98 1x54 s GLY 361 N 0.49 1.13 0.10 0.20 0.00 -0.52 -1.02 107.32 107.70 1x54 s GLY 361 Ca -0.14 -1.32 -0.26 0.00 0.00 0.00 0.00 44.72 43.00 1x54 s GLY 361 CO 0.05 -0.95 0.91 -1.35 0.00 0.00 0.00 173.10 171.76 1x54 s SER 362 N -3.14 -0.27 0.30 1.64 1.04 -0.52 -1.66 113.70 111.10 1x54 s SER 362 Ca 0.29 -0.25 -0.27 0.00 0.48 0.00 0.00 55.95 56.20 1x54 s SER 362 Cb 0.01 0.47 -0.10 0.00 0.10 0.00 0.00 66.02 66.50 1x54 s SER 362 CO 0.14 -0.83 0.94 -1.58 0.98 0.00 0.00 173.24 172.90 1x54 s GLN 363 N -3.28 4.64 0.11 4.02 0.74 -0.10 -1.85 119.66 123.95 1x54 s GLN 363 Ca 0.09 1.36 -0.04 0.00 0.05 0.00 0.00 55.36 56.82 1x54 s GLN 363 Cb -0.01 -2.91 -0.05 0.00 1.10 0.00 0.00 33.01 31.13 1x54 s GLN 363 CO -0.02 0.34 0.33 1.03 -0.55 0.00 0.00 175.29 176.41 1x54 s ARG 364 N -1.85 3.57 0.12 1.67 1.81 -0.25 -1.66 118.95 122.36 1x54 s ARG 364 Ca 0.48 -0.17 -0.31 0.00 -1.72 0.00 0.00 55.73 54.00 1x54 s ARG 364 Cb -0.20 -2.91 -0.09 0.00 -0.45 0.00 0.00 34.95 31.29 1x54 s ARG 364 CO 0.26 0.52 1.56 -2.00 -0.68 0.00 0.00 175.30 174.95 1x54 s GLU 365 N -2.55 4.23 0.00 3.54 2.56 0.18 -4.41 118.70 122.24 1x54 s GLU 365 Ca 0.39 2.29 0.08 0.00 0.00 0.00 0.00 54.97 57.73 1x54 s GLU 365 Cb -0.12 -3.32 0.07 0.00 2.00 0.00 0.00 34.13 32.75 1x54 s GLU 365 CO 0.25 -0.62 0.77 -0.40 -0.56 0.00 0.00 175.26 174.69 1x54 n ASP 366 N 4.53 1.69 -4.66 -1.70 5.68 -1.26 -4.95 116.55 115.87 1x54 n ASP 366 Ca 0.14 -1.36 -0.37 0.00 -0.50 0.00 0.00 54.79 52.71 1x54 n ASP 366 Cb 0.40 -0.01 -0.09 0.00 -1.14 0.00 0.00 41.12 40.28 1x54 n ASP 366 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1x54 s ASP 367 N -0.65 6.19 0.12 -1.12 -1.08 -1.26 -4.81 116.67 114.06 1x54 s ASP 367 Ca 0.09 0.20 -0.23 0.00 -0.52 0.00 0.00 52.55 52.09 1x54 s ASP 367 Cb 0.06 -2.13 -0.04 0.00 -1.46 0.00 0.00 42.92 39.35 1x54 s ASP 367 CO 0.10 0.03 1.67 0.22 0.52 0.00 0.00 175.17 177.70 1x54 h TYR 368 N 7.50 -0.40 -0.63 -5.34 5.03 -1.93 -1.84 116.97 119.36 1x54 h TYR 368 Ca -0.37 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 60.94 1x54 h TYR 368 Cb 1.17 0.19 -0.03 0.00 1.55 0.00 0.00 36.73 39.61 1x54 h TYR 368 CO 0.67 -0.23 0.32 -0.44 -1.32 0.00 0.00 178.16 177.17 1x54 h ASP 369 N -0.22 0.80 -0.43 -2.11 3.32 -1.95 -1.04 116.42 114.80 1x54 h ASP 369 Ca 0.08 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1x54 h ASP 369 Cb 0.33 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1x54 h ASP 369 CO -0.21 0.69 0.17 0.11 -1.72 0.00 0.00 179.24 178.29 1x54 h LYS 370 N 0.86 0.65 -0.39 3.56 1.57 -1.96 -1.07 116.57 119.78 1x54 h LYS 370 Ca 0.22 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1x54 h LYS 370 Cb 0.09 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1x54 h LYS 370 CO -0.03 0.60 0.16 1.25 -0.57 0.00 0.00 179.45 180.86 1x54 h LEU 371 N 0.56 0.54 -0.55 2.94 5.85 -1.05 -1.64 115.31 121.95 1x54 h LEU 371 Ca 0.14 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1x54 h LEU 371 Cb 0.19 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1x54 h LEU 371 CO -0.01 0.55 0.33 0.25 -0.34 0.00 0.00 178.44 179.21 1x54 h LEU 372 N 0.49 0.66 -0.78 2.25 5.85 -1.06 -0.95 115.31 121.77 1x54 h LEU 372 Ca 0.13 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1x54 h LEU 372 Cb 0.17 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 1x54 h LEU 372 CO -0.01 0.53 0.50 -1.13 -0.34 0.00 0.00 178.44 177.98 1x54 h ASN 373 N 0.74 0.82 -0.51 1.25 -0.73 -1.02 -1.49 115.58 114.64 1x54 h ASN 373 Ca 0.20 -0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.28 1x54 h ASN 373 Cb -0.01 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.38 1x54 h ASN 373 CO -0.04 0.57 0.00 -0.09 -0.37 0.00 0.00 177.43 177.51 1x54 h ARG 374 N 0.97 0.91 -0.51 6.67 9.65 -0.80 0.29 114.38 131.56 1x54 h ARG 374 Ca 0.31 -0.29 0.05 0.00 -1.10 0.00 0.00 59.98 58.95 1x54 h ARG 374 Cb 0.00 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.45 1x54 h ARG 374 CO -0.11 0.93 0.24 0.82 2.80 0.00 0.00 179.97 184.65 1x54 h ILE 375 N 0.78 0.92 -0.38 1.20 2.04 -0.84 -1.72 117.51 119.51 1x54 h ILE 375 Ca 0.15 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1x54 h ILE 375 Cb 0.52 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1x54 h ILE 375 CO 0.03 0.09 0.12 -0.07 0.00 0.00 0.00 178.15 178.31 1x54 h LEU 376 N 0.47 0.56 -1.55 1.44 3.38 -0.93 -1.39 115.31 117.29 1x54 h LEU 376 Ca 0.23 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1x54 h LEU 376 Cb 0.18 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1x54 h LEU 376 CO -0.18 0.62 0.35 -0.33 0.09 0.00 0.00 178.44 178.99 1x54 h GLU 377 N 0.47 0.57 -0.13 1.13 5.08 -0.70 -1.62 114.58 119.39 1x54 h GLU 377 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1x54 h GLU 377 Cb 0.26 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1x54 h GLU 377 CO -0.00 0.38 0.00 0.39 -1.00 0.00 0.00 179.01 178.77 1x54 n GLU 378 N -4.47 1.46 -1.70 2.33 -0.58 -0.67 -4.90 120.64 112.10 1x54 n GLU 378 Ca 0.06 -0.70 -0.12 0.00 -0.42 0.00 0.00 57.16 55.99 1x54 n GLU 378 Cb 0.16 -1.31 -0.03 0.00 -0.57 0.00 0.00 31.44 29.69 1x54 n GLU 378 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x54 n GLY 379 N 0.96 0.70 3.89 0.62 0.00 -0.61 -5.02 105.19 105.74 1x54 n GLY 379 Ca 0.13 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 1x54 n GLY 379 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x54 s MET 380 N -3.64 3.68 -0.39 1.61 -1.94 -0.54 -5.04 119.30 113.04 1x54 s MET 380 Ca 0.00 0.17 -0.19 0.00 -1.71 0.00 0.00 55.69 53.96 1x54 s MET 380 Cb 0.00 -2.55 0.01 0.00 2.01 0.00 0.00 34.83 34.30 1x54 s MET 380 CO 0.00 0.11 0.56 0.34 -0.01 0.00 0.00 175.02 176.02 1x54 s ASP 381 N -3.20 6.32 0.56 3.03 -1.08 -1.26 -4.40 116.67 116.64 1x54 s ASP 381 Ca 0.47 -0.19 0.27 0.00 -0.52 0.00 0.00 52.55 52.58 1x54 s ASP 381 Cb -0.11 -2.29 1.50 0.00 -1.46 0.00 0.00 42.92 40.57 1x54 s ASP 381 CO 0.31 -0.60 2.02 -0.65 0.52 0.00 0.00 175.17 176.77 1x54 h PRO 382 N 8.63 0.00 -0.56 4.34 0.11 -1.96 -0.61 132.00 141.95 1x54 h PRO 382 Ca -0.27 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.89 1x54 h PRO 382 Cb 1.11 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1x54 h PRO 382 CO 0.82 0.00 0.37 0.87 -0.21 0.00 0.00 178.00 179.85 1x54 h LYS 383 N 0.00 0.57 0.00 1.05 1.79 -2.00 -0.06 116.57 117.93 1x54 h LYS 383 Ca 0.17 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1x54 h LYS 383 Cb 0.82 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1x54 h LYS 383 CO -0.00 0.38 0.00 -0.25 -1.08 0.00 0.00 179.45 178.50 1x54 n ASP 384 N -4.47 0.37 -0.09 0.86 10.43 -0.24 -3.38 116.55 120.03 1x54 n ASP 384 Ca 0.07 0.57 0.04 0.00 2.57 0.00 0.00 54.79 58.04 1x54 n ASP 384 Cb 0.19 -0.66 0.05 0.00 1.84 0.00 0.00 41.12 42.54 1x54 n ASP 384 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1x54 n TYR 385 N -1.89 0.00 -0.29 1.24 4.02 -0.20 -4.71 117.16 115.33 1x54 n TYR 385 Ca 0.04 -0.54 0.01 0.00 -0.01 0.00 0.00 57.90 57.40 1x54 n TYR 385 Cb 0.27 -0.08 0.14 0.00 -0.02 0.00 0.00 39.34 39.65 1x54 n TYR 385 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1x54 h GLU 386 N 0.00 0.86 -0.24 -0.72 4.81 -1.12 0.06 114.58 118.23 1x54 h GLU 386 Ca 0.00 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1x54 h GLU 386 Cb 0.87 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1x54 h GLU 386 CO 0.00 0.57 -0.09 0.11 -0.73 0.00 0.00 179.01 178.87 1x54 h TRP 387 N 0.89 0.41 -0.18 0.92 5.08 -1.87 0.32 115.95 121.51 1x54 h TRP 387 Ca 0.37 -0.05 -0.21 0.00 1.08 0.00 0.00 58.89 60.08 1x54 h TRP 387 Cb 0.21 -0.11 0.01 0.00 -3.00 0.00 0.00 29.16 26.27 1x54 h TRP 387 CO -0.04 0.48 -0.72 -0.92 -1.28 0.00 0.00 178.44 175.95 1x54 h TYR 388 N 0.37 1.08 -0.48 0.12 3.20 -1.51 -2.81 116.97 116.93 1x54 h TYR 388 Ca 0.07 -0.46 -0.02 0.00 3.14 0.00 0.00 58.73 61.47 1x54 h TYR 388 Cb 0.39 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1x54 h TYR 388 CO 0.01 1.29 0.21 -0.07 -1.64 0.00 0.00 178.16 177.97 1x54 h LEU 389 N 0.56 0.60 -1.65 2.82 3.38 -0.72 -2.52 115.31 117.79 1x54 h LEU 389 Ca -0.04 -0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.03 1x54 h LEU 389 Cb 1.35 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 1x54 h LEU 389 CO 0.15 0.53 0.50 0.44 0.09 0.00 0.00 178.44 180.15 1x54 h ASP 390 N 0.67 0.32 0.34 -0.43 3.32 -0.67 0.22 116.42 120.20 1x54 h ASP 390 Ca 0.17 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1x54 h ASP 390 Cb 0.10 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1x54 h ASP 390 CO -0.02 0.17 0.00 -0.07 -1.72 0.00 0.00 179.24 177.59 1x54 h LEU 391 N 0.34 0.00 -2.19 1.55 3.38 -1.43 -0.24 115.31 116.72 1x54 h LEU 391 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1x54 h LEU 391 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1x54 h LEU 391 CO -0.10 0.00 0.00 0.54 0.09 0.00 0.00 178.44 178.97 1x54 n ARG 392 N -2.49 2.44 -0.05 1.13 3.00 0.06 -3.85 116.66 116.90 1x54 n ARG 392 Ca -0.00 -2.17 -0.05 0.00 -0.01 0.00 0.00 57.85 55.62 1x54 n ARG 392 Cb 0.13 -1.50 -0.08 0.00 0.00 0.00 0.00 32.46 31.01 1x54 n ARG 392 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1x54 n ARG 393 N 1.41 2.38 -2.58 5.56 0.63 -0.16 -4.35 116.66 119.55 1x54 n ARG 393 Ca 0.18 -0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.81 1x54 n ARG 393 Cb 0.59 -1.25 -0.01 0.00 0.45 0.00 0.00 32.46 32.25 1x54 n ARG 393 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1x54 n TYR 394 N -2.37 3.51 -0.04 -0.14 4.01 -0.82 -4.76 117.16 116.55 1x54 n TYR 394 Ca -0.16 -3.24 0.00 0.00 -0.16 0.00 0.00 57.90 54.34 1x54 n TYR 394 Cb 0.81 -0.51 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 1x54 n TYR 394 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x54 n GLY 395 N -0.36 0.79 3.55 2.72 0.00 -1.26 -5.02 105.19 105.61 1x54 n GLY 395 Ca 0.39 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.96 1x54 n GLY 395 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x54 n SER 396 N 0.01 0.66 -4.09 1.61 2.88 -1.25 -5.02 113.62 108.41 1x54 n SER 396 Ca 0.00 1.11 -0.10 0.00 -1.33 0.00 0.00 58.87 58.54 1x54 n SER 396 Cb 0.01 -1.23 -0.11 0.00 -0.75 0.00 0.00 64.21 62.13 1x54 n SER 396 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1x54 s VAL 397 N -1.15 0.46 0.45 2.46 -7.23 -1.26 -5.10 120.40 109.02 1x54 s VAL 397 Ca 0.61 -1.49 -0.25 0.00 -1.81 0.00 0.00 61.98 59.04 1x54 s VAL 397 Cb -0.69 -1.10 -0.08 0.00 0.56 0.00 0.00 36.38 35.08 1x54 s VAL 397 CO 0.59 -0.69 1.35 -2.84 -0.31 0.00 0.00 175.10 173.20 1x54 s PRO 398 N -2.79 3.71 0.13 4.82 0.02 -1.26 -4.86 135.00 134.77 1x54 s PRO 398 Ca -0.00 2.25 -0.24 0.00 0.02 0.00 0.00 61.00 63.03 1x54 s PRO 398 Cb -0.01 -2.61 0.07 0.00 0.02 0.00 0.00 34.50 31.97 1x54 s PRO 398 CO -0.04 -0.74 0.68 -3.38 -0.33 0.00 0.00 177.00 173.19 1x54 s HIS 399 N -1.26 -0.47 0.12 6.54 -3.43 -1.24 -0.24 115.29 115.31 1x54 s HIS 399 Ca 0.61 0.26 -0.10 0.00 -0.80 0.00 0.00 55.06 55.03 1x54 s HIS 399 Cb -0.40 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.32 1x54 s HIS 399 CO 0.51 -0.81 0.27 -1.12 -2.00 0.00 0.00 174.74 171.59 1x54 s SER 400 N -2.71 0.02 0.10 7.38 0.01 -1.04 -1.09 113.70 116.37 1x54 s SER 400 Ca 0.03 -0.66 -0.11 0.00 1.31 0.00 0.00 55.95 56.52 1x54 s SER 400 Cb -0.01 0.40 0.04 0.00 0.21 0.00 0.00 66.02 66.66 1x54 s SER 400 CO -0.11 -0.81 0.52 0.61 0.41 0.00 0.00 173.24 173.86 1x54 n GLY 401 N -0.15 0.97 3.60 3.44 0.00 -0.77 -0.99 105.19 111.30 1x54 n GLY 401 Ca -0.13 -1.04 -0.07 0.00 0.00 0.00 0.00 46.02 44.78 1x54 n GLY 401 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x54 s PHE 402 N -4.09 -0.30 -0.04 1.61 -0.12 -0.54 -1.44 117.98 113.06 1x54 s PHE 402 Ca 0.12 0.07 0.03 0.00 -0.05 0.00 0.00 56.93 57.09 1x54 s PHE 402 Cb -0.02 0.59 0.01 0.00 -0.63 0.00 0.00 43.02 42.97 1x54 s PHE 402 CO 0.03 -0.76 -0.12 0.20 -0.05 0.00 0.00 175.22 174.52 1x54 s GLY 403 N -2.72 0.71 -0.17 1.99 0.00 -0.19 -1.48 107.32 105.47 1x54 s GLY 403 Ca 0.07 -0.44 -0.06 0.00 0.00 0.00 0.00 44.72 44.29 1x54 s GLY 403 CO -0.05 -0.07 0.02 -2.27 0.00 0.00 0.00 173.10 170.73 1x54 s LEU 404 N 0.32 3.61 -0.44 0.66 2.96 0.66 -1.79 118.68 124.66 1x54 s LEU 404 Ca -0.07 0.01 -0.26 0.00 -0.22 0.00 0.00 54.13 53.59 1x54 s LEU 404 Cb -0.12 -1.89 0.03 0.00 0.50 0.00 0.00 46.19 44.70 1x54 s LEU 404 CO 0.02 0.18 0.96 -0.83 -1.32 0.00 0.00 176.35 175.37 1x54 s GLY 405 N 0.29 1.46 0.15 7.98 0.00 -0.66 -1.21 107.32 115.33 1x54 s GLY 405 Ca 0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 44.72 43.93 1x54 s GLY 405 CO 0.01 2.10 1.67 -2.08 0.00 0.00 0.00 173.10 174.80 1x54 h VAL 406 N 6.05 1.23 -0.53 1.40 2.07 -1.48 -1.18 116.25 123.81 1x54 h VAL 406 Ca -0.24 -0.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.43 1x54 h VAL 406 Cb 1.07 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1x54 h VAL 406 CO 1.04 0.28 0.01 -0.33 0.02 0.00 0.00 177.57 178.59 1x54 h GLU 407 N 0.65 0.89 -0.73 1.57 3.07 -1.88 -0.02 114.58 118.12 1x54 h GLU 407 Ca 0.15 -0.25 0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1x54 h GLU 407 Cb 0.28 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.06 1x54 h GLU 407 CO -0.00 0.87 0.48 0.00 -1.40 0.00 0.00 179.01 178.96 1x54 h ARG 408 N 0.83 0.95 -0.26 2.33 2.47 -1.83 0.23 114.38 119.11 1x54 h ARG 408 Ca 0.16 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.79 1x54 h ARG 408 Cb 0.47 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 1x54 h ARG 408 CO 0.02 0.63 0.03 1.25 0.56 0.00 0.00 179.97 182.47 1x54 h LEU 409 N 0.98 0.42 -0.88 3.04 5.85 -0.55 -2.38 115.31 121.78 1x54 h LEU 409 Ca 0.27 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1x54 h LEU 409 Cb -0.11 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 1x54 h LEU 409 CO -0.06 0.58 0.56 0.58 -0.34 0.00 0.00 178.44 179.76 1x54 h VAL 410 N 0.24 1.10 -0.79 1.05 2.07 -0.76 -0.35 116.25 118.80 1x54 h VAL 410 Ca 0.08 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1x54 h VAL 410 Cb 0.35 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 1x54 h VAL 410 CO 0.01 0.19 0.33 0.00 0.02 0.00 0.00 177.57 178.12 1x54 h ALA 411 N 1.39 1.09 -0.03 1.67 0.00 -0.79 -1.04 119.26 121.55 1x54 h ALA 411 Ca 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1x54 h ALA 411 Cb 0.08 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1x54 h ALA 411 CO -0.14 0.65 -0.03 2.35 0.00 0.00 0.00 179.25 182.09 1x54 h TRP 412 N 1.15 0.09 -0.97 0.00 7.01 -0.94 0.49 115.95 122.78 1x54 h TRP 412 Ca 0.27 -0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.40 1x54 h TRP 412 Cb 0.19 -0.02 -0.09 0.00 -2.10 0.00 0.00 29.16 27.14 1x54 h TRP 412 CO 0.02 0.52 0.61 0.28 -2.79 0.00 0.00 178.44 177.08 1x54 h VAL 413 N -0.38 0.80 -0.53 2.65 2.07 -0.79 -1.99 116.25 118.09 1x54 h VAL 413 Ca 0.01 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1x54 h VAL 413 Cb 0.51 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1x54 h VAL 413 CO 0.01 0.14 0.00 0.18 0.02 0.00 0.00 177.57 177.92 1x54 n LEU 414 N -4.64 3.67 -4.13 2.57 4.77 -0.42 -4.92 117.00 113.90 1x54 n LEU 414 Ca 0.20 -2.15 -0.29 0.00 -0.03 0.00 0.00 56.01 53.74 1x54 n LEU 414 Cb 0.50 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1x54 n LEU 414 CO 0.26 0.83 -0.35 0.29 -1.33 0.00 0.00 177.39 177.10 1x54 n LYS 415 N 0.94 -2.00 -2.43 3.23 5.02 -0.26 -4.70 118.16 117.95 1x54 n LYS 415 Ca 0.19 0.24 -0.35 0.00 -2.02 0.00 0.00 58.31 56.37 1x54 n LYS 415 Cb 0.61 -3.99 -0.02 0.00 -0.02 0.00 0.00 35.03 31.60 1x54 n LYS 415 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x54 s LEU 416 N -7.18 3.92 0.00 -0.35 1.43 0.00 -4.96 118.68 111.54 1x54 s LEU 416 Ca 0.03 2.07 0.29 0.00 -1.03 0.00 0.00 54.13 55.49 1x54 s LEU 416 Cb -0.01 -4.43 1.24 0.00 0.03 0.00 0.00 46.19 43.02 1x54 s LEU 416 CO 0.94 -0.84 1.90 -0.90 0.23 0.00 0.00 176.35 177.69 1x54 n ASP 417 N -0.76 0.11 -3.64 2.29 3.85 -1.26 -4.82 116.55 112.32 1x54 n ASP 417 Ca 0.09 0.11 -0.10 0.00 -0.71 0.00 0.00 54.79 54.17 1x54 n ASP 417 Cb 0.51 -0.31 -0.07 0.00 -1.35 0.00 0.00 41.12 39.90 1x54 n ASP 417 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 1x54 s HIS 418 N -2.81 -0.76 0.59 2.11 5.04 -1.26 -4.94 115.29 113.26 1x54 s HIS 418 Ca 0.20 1.73 0.29 0.00 -1.54 0.00 0.00 55.06 55.74 1x54 s HIS 418 Cb 0.19 0.38 1.79 0.00 0.04 0.00 0.00 32.58 34.98 1x54 s HIS 418 CO 0.52 -0.37 2.23 0.97 -2.34 0.00 0.00 174.74 175.75 1x54 h ILE 419 N 4.23 0.52 -0.22 0.89 2.10 -1.36 -2.78 117.51 120.90 1x54 h ILE 419 Ca -0.29 0.00 0.06 0.00 1.08 0.00 0.00 64.86 65.71 1x54 h ILE 419 Cb 1.18 0.97 -0.01 0.00 -1.09 0.00 0.00 36.82 37.87 1x54 h ILE 419 CO 0.10 0.00 0.16 0.08 -1.08 0.00 0.00 178.15 177.41 1x54 h ARG 420 N 0.00 0.00 0.00 2.19 0.11 -1.90 -0.68 114.38 114.09 1x54 h ARG 420 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1x54 h ARG 420 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 1x54 h ARG 420 CO -0.00 0.00 0.00 0.91 0.10 0.00 0.00 179.97 180.98 1x54 n TRP 421 N -4.47 0.36 1.34 4.08 7.02 -1.05 -2.18 117.44 122.54 1x54 n TRP 421 Ca 0.02 0.13 0.13 0.00 -1.02 0.00 0.00 57.50 56.76 1x54 n TRP 421 Cb 0.30 -0.70 0.44 0.00 -2.42 0.00 0.00 31.31 28.92 1x54 n TRP 421 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1x54 n ALA 422 N -1.62 2.88 -2.78 6.99 0.00 -0.26 -4.86 120.51 120.86 1x54 n ALA 422 Ca 0.04 -0.42 -0.36 0.00 0.00 0.00 0.00 53.44 52.71 1x54 n ALA 422 Cb 0.26 -1.15 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 1x54 n ALA 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x54 s ALA 423 N -2.31 3.58 0.10 0.00 0.00 -0.93 -4.83 121.76 117.37 1x54 s ALA 423 Ca 0.29 -0.72 -0.25 0.00 0.00 0.00 0.00 51.96 51.28 1x54 s ALA 423 Cb 0.20 -1.74 -0.10 0.00 0.00 0.00 0.00 23.12 21.48 1x54 s ALA 423 CO 0.45 0.58 1.68 1.25 0.00 0.00 0.00 175.76 179.73 1x54 h LEU 424 N 5.16 -0.37 -7.01 0.00 5.85 -1.89 -3.34 115.31 113.71 1x54 h LEU 424 Ca -0.52 0.05 -0.61 0.00 0.84 0.00 0.00 57.88 57.63 1x54 h LEU 424 Cb 1.21 0.14 -0.40 0.00 0.37 0.00 0.00 40.66 41.98 1x54 h LEU 424 CO 0.57 -0.20 -0.73 -0.36 -0.34 0.00 0.00 178.44 177.39 1x54 s PHE 425 N -6.14 2.16 0.52 1.25 0.08 -1.26 -4.94 117.98 109.64 1x54 s PHE 425 Ca -0.15 -2.55 -0.23 0.00 0.12 0.00 0.00 56.93 54.13 1x54 s PHE 425 Cb 0.07 -1.99 -0.06 0.00 -0.57 0.00 0.00 43.02 40.47 1x54 s PHE 425 CO 0.66 -0.77 1.36 -1.25 -0.10 0.00 0.00 175.22 175.13 1x54 s PRO 426 N 0.17 3.32 -0.15 0.24 0.04 -1.26 -5.01 135.00 132.35 1x54 s PRO 426 Ca 0.19 2.25 0.02 0.00 0.04 0.00 0.00 61.00 63.50 1x54 s PRO 426 Cb -0.22 -2.37 0.01 0.00 0.04 0.00 0.00 34.50 31.96 1x54 s PRO 426 CO -0.02 -1.05 -0.20 1.03 0.04 0.00 0.00 177.00 176.80 1x54 s ARG 427 N -2.77 3.07 0.20 4.56 1.81 -1.26 -4.72 118.95 119.83 1x54 s ARG 427 Ca 0.68 -0.82 -0.01 0.00 -1.72 0.00 0.00 55.73 53.86 1x54 s ARG 427 Cb -0.41 -2.51 -0.04 0.00 -0.45 0.00 0.00 34.95 31.55 1x54 s ARG 427 CO 0.49 -0.03 0.13 0.95 -0.68 0.00 0.00 175.30 176.16 1x54 s THR 428 N 0.88 0.00 0.44 0.02 -4.23 -0.98 -1.09 115.64 110.69 1x54 s THR 428 Ca -0.05 -1.99 0.18 0.00 -1.18 0.00 0.00 61.69 58.65 1x54 s THR 428 Cb -0.15 -2.48 0.37 0.00 1.34 0.00 0.00 72.50 71.58 1x54 s THR 428 CO -0.03 -0.02 1.92 -0.65 -0.54 0.00 0.00 174.62 175.30 1x54 h PRO 429 N 2.63 0.33 -0.06 3.99 0.11 -1.90 -1.02 132.00 136.08 1x54 h PRO 429 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1x54 h PRO 429 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1x54 h PRO 429 CO 0.53 0.22 0.00 0.00 -0.21 0.00 0.00 178.00 178.54 1x54 n ALA 430 N -2.55 2.46 -3.94 -0.75 0.00 -1.26 -4.91 120.51 109.57 1x54 n ALA 430 Ca 0.14 -0.71 -0.30 0.00 0.00 0.00 0.00 53.44 52.58 1x54 n ALA 430 Cb 0.57 -0.81 -0.16 0.00 0.00 0.00 0.00 19.45 19.06 1x54 n ALA 430 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x54 s ARG 431 N -1.94 1.66 0.00 0.00 1.81 -0.39 -4.91 118.95 115.18 1x54 s ARG 431 Ca 0.28 -0.79 0.00 0.00 -1.72 0.00 0.00 55.73 53.50 1x54 s ARG 431 Cb 0.20 -2.36 0.00 0.00 -0.45 0.00 0.00 34.95 32.34 1x54 s ARG 431 CO 0.30 -0.50 0.00 -0.11 -0.68 0.00 0.00 175.30 174.31 1x54 n LEU 432 N 4.75 0.00 -3.97 2.53 7.94 -1.26 -2.32 117.00 124.67 1x54 n LEU 432 Ca -0.13 -0.35 -0.14 0.00 -1.11 0.00 0.00 56.01 54.28 1x54 n LEU 432 Cb 0.46 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.28 1x54 n LEU 432 CO 0.18 0.00 -0.39 -0.47 -1.11 0.00 0.00 177.39 175.60 1x54 s TYR 433 N -0.72 0.42 -2.00 1.96 5.04 -1.26 -5.07 117.35 115.71 1x54 s TYR 433 Ca 0.00 -0.20 0.09 0.00 -2.44 0.00 0.00 57.07 54.52 1x54 s TYR 433 Cb 0.00 -0.27 0.54 0.00 0.35 0.00 0.00 41.96 42.59 1x54 s TYR 433 CO 0.00 -0.04 0.99 -2.30 -1.34 0.00 0.00 175.55 172.86