#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s22 s THR 6 N nan 5.39 0.41 0.00 -4.23 -1.26 -4.98 115.64 nan 1s22 s THR 6 Ca nan 0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 nan 1s22 s THR 6 Cb nan -3.50 -0.07 0.00 1.34 0.00 0.00 72.50 nan 1s22 s THR 6 CO nan 0.50 0.79 0.00 -0.54 0.00 0.00 174.62 nan 1s22 s ALA 7 N -0.15 3.31 0.08 3.99 0.00 -1.26 -4.33 121.76 123.40 1s22 s ALA 7 Ca 0.13 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.99 1s22 s ALA 7 Cb -0.12 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 1s22 s ALA 7 CO 0.02 -0.00 0.06 -0.51 0.00 0.00 0.00 175.76 175.33 1s22 s LEU 8 N -3.79 3.73 -0.13 0.00 1.43 0.11 -0.84 118.68 119.19 1s22 s LEU 8 Ca 0.52 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1s22 s LEU 8 Cb -0.10 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 43.72 1s22 s LEU 8 CO 0.30 0.18 -0.13 -0.69 0.23 0.00 0.00 176.35 176.24 1s22 s VAL 9 N -1.36 1.42 -0.18 -1.59 1.01 -0.32 -0.35 120.40 119.03 1s22 s VAL 9 Ca 0.28 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1s22 s VAL 9 Cb -0.12 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.93 1s22 s VAL 9 CO 0.21 0.43 -0.20 0.00 0.00 0.00 0.00 175.10 175.55 1s22 s ASP 11 N 1.29 5.18 -0.31 0.00 2.15 0.88 -2.51 116.67 123.35 1s22 s ASP 11 Ca 0.05 -1.97 -0.18 0.00 0.43 0.00 0.00 52.55 50.87 1s22 s ASP 11 Cb -0.13 -1.80 -0.01 0.00 -0.30 0.00 0.00 42.92 40.67 1s22 s ASP 11 CO -0.12 -0.50 0.54 0.20 -0.17 0.00 0.00 175.17 175.11 1s22 s ASN 12 N 1.69 6.40 0.44 -0.34 -0.87 -1.26 -1.43 114.94 119.57 1s22 s ASN 12 Ca 0.07 0.27 0.07 0.00 -1.57 0.00 0.00 52.86 51.70 1s22 s ASN 12 Cb -0.22 -2.29 -0.02 0.00 -0.02 0.00 0.00 41.25 38.70 1s22 s ASN 12 CO -0.04 -0.41 0.29 -0.83 -2.57 0.00 0.00 177.10 173.54 1s22 s GLY 13 N 1.66 2.28 0.23 0.66 0.00 -0.78 -4.91 107.32 106.47 1s22 s GLY 13 Ca 0.21 -1.85 -0.07 0.00 0.00 0.00 0.00 44.72 43.01 1s22 s GLY 13 CO 0.12 -1.84 1.87 1.76 0.00 0.00 0.00 173.10 175.00 1s22 h SER 14 N 1.15 1.08 0.00 1.64 0.02 -1.91 -3.35 113.55 112.19 1s22 h SER 14 Ca -0.41 -0.08 -0.30 0.00 -0.84 0.00 0.00 61.79 60.17 1s22 h SER 14 Cb 1.27 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.48 1s22 h SER 14 CO 0.63 0.84 -2.12 0.61 -1.14 0.00 0.00 176.83 175.65 1s22 n GLY 15 N -1.20 -0.41 3.03 -3.77 0.00 -1.26 -4.71 105.19 96.86 1s22 n GLY 15 Ca 0.09 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1s22 n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s22 s LEU 16 N -5.88 1.91 -0.02 0.99 1.43 -1.26 -0.97 118.68 114.89 1s22 s LEU 16 Ca -0.22 -0.19 -0.22 0.00 -1.03 0.00 0.00 54.13 52.48 1s22 s LEU 16 Cb 0.06 -0.56 -0.05 0.00 0.03 0.00 0.00 46.19 45.68 1s22 s LEU 16 CO 0.51 0.10 0.63 -0.69 0.23 0.00 0.00 176.35 177.13 1s22 s VAL 17 N -0.03 4.92 -0.20 -1.59 1.01 0.42 -1.86 120.40 123.08 1s22 s VAL 17 Ca 0.00 1.32 0.01 0.00 0.00 0.00 0.00 61.98 63.32 1s22 s VAL 17 Cb -0.06 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.37 1s22 s VAL 17 CO 0.00 0.37 -0.17 -0.54 0.00 0.00 0.00 175.10 174.76 1s22 s LYS 18 N 0.06 2.83 0.05 2.72 3.01 -0.51 -1.87 119.74 126.04 1s22 s LYS 18 Ca 0.33 -0.94 0.01 0.00 -1.01 0.00 0.00 55.97 54.36 1s22 s LYS 18 Cb -0.18 -2.66 -0.03 0.00 -1.01 0.00 0.00 37.83 33.94 1s22 s LYS 18 CO 0.18 -0.29 -0.05 0.00 0.51 0.00 0.00 175.35 175.69 1s22 s ALA 19 N 1.26 0.54 0.00 5.17 0.00 0.06 -0.08 121.76 128.70 1s22 s ALA 19 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1s22 s ALA 19 Cb -0.15 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1s22 s ALA 19 CO -0.11 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1s22 n GLY 20 N 0.77 -0.55 3.53 0.00 0.00 -0.34 -1.37 105.19 107.23 1s22 n GLY 20 Ca -0.18 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1s22 n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s22 s PHE 21 N -3.00 2.95 0.28 1.61 0.08 -1.26 -1.17 117.98 117.46 1s22 s PHE 21 Ca 0.00 -0.17 -0.30 0.00 0.12 0.00 0.00 56.93 56.58 1s22 s PHE 21 Cb 0.00 -1.81 -0.11 0.00 -0.57 0.00 0.00 43.02 40.53 1s22 s PHE 21 CO 0.00 0.14 1.56 0.00 -0.10 0.00 0.00 175.22 176.82 1s22 s ALA 22 N -0.29 3.72 0.00 5.36 0.00 -0.02 -1.76 121.76 128.77 1s22 s ALA 22 Ca 0.04 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1s22 s ALA 22 Cb -0.13 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1s22 s ALA 22 CO 0.02 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.26 1s22 n GLY 23 N 2.13 3.03 3.75 0.00 0.00 -1.11 -4.75 105.19 108.25 1s22 n GLY 23 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1s22 n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s22 s ASP 24 N 0.41 4.34 0.04 1.61 1.11 -0.72 -4.95 116.67 118.50 1s22 s ASP 24 Ca 0.00 1.92 0.26 0.00 0.18 0.00 0.00 52.55 54.92 1s22 s ASP 24 Cb 0.00 -2.54 0.75 0.00 1.07 0.00 0.00 42.92 42.21 1s22 s ASP 24 CO 0.00 -2.15 1.61 -0.90 1.18 0.00 0.00 175.17 174.91 1s22 n ASP 25 N -3.44 0.40 -3.48 0.27 5.75 -1.26 -4.89 116.55 109.89 1s22 n ASP 25 Ca 0.10 0.15 -0.12 0.00 -0.01 0.00 0.00 54.79 54.91 1s22 n ASP 25 Cb 0.53 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.46 1s22 n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s22 s ALA 26 N -3.04 -1.74 0.17 2.12 0.00 -1.26 -4.90 121.76 113.11 1s22 s ALA 26 Ca 0.11 0.93 -0.31 0.00 0.00 0.00 0.00 51.96 52.70 1s22 s ALA 26 Cb 0.17 0.40 -0.09 0.00 0.00 0.00 0.00 23.12 23.60 1s22 s ALA 26 CO 0.64 -0.62 1.39 -1.25 0.00 0.00 0.00 175.76 175.92 1s22 s PRO 27 N -2.76 4.32 0.40 0.00 0.04 -1.26 -4.73 135.00 131.00 1s22 s PRO 27 Ca -0.01 2.15 0.19 0.00 0.04 0.00 0.00 61.00 63.37 1s22 s PRO 27 Cb -0.01 -3.19 0.82 0.00 0.04 0.00 0.00 34.50 32.16 1s22 s PRO 27 CO -0.06 -0.39 1.81 0.07 0.04 0.00 0.00 177.00 178.47 1s22 h ARG 28 N 5.98 0.00 -4.58 4.56 -0.00 -1.69 -3.43 114.38 115.23 1s22 h ARG 28 Ca -0.44 0.00 -0.56 0.00 -0.00 0.00 0.00 59.98 58.98 1s22 h ARG 28 Cb 1.21 0.00 -0.35 0.00 -0.00 0.00 0.00 29.97 30.83 1s22 h ARG 28 CO 0.82 0.34 -0.82 0.00 -0.00 0.00 0.00 179.97 180.30 1s22 s ALA 29 N -3.82 1.57 -0.10 0.08 0.00 -0.47 -5.02 121.76 113.99 1s22 s ALA 29 Ca -0.01 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 1s22 s ALA 29 Cb 0.12 -0.85 0.03 0.00 0.00 0.00 0.00 23.12 22.43 1s22 s ALA 29 CO 0.68 -0.18 -0.00 0.08 0.00 0.00 0.00 175.76 176.34 1s22 s VAL 30 N 1.19 0.50 0.08 0.00 1.01 -1.26 -0.76 120.40 121.16 1s22 s VAL 30 Ca -0.03 -0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 1s22 s VAL 30 Cb -0.14 -0.72 0.04 0.00 0.00 0.00 0.00 36.38 35.56 1s22 s VAL 30 CO -0.04 0.18 0.42 0.72 0.00 0.00 0.00 175.10 176.38 1s22 s PHE 31 N 1.91 -0.26 0.31 5.22 -0.12 -0.78 -4.98 117.98 119.27 1s22 s PHE 31 Ca 0.04 0.12 -0.29 0.00 -0.05 0.00 0.00 56.93 56.74 1s22 s PHE 31 Cb -0.13 0.25 -0.11 0.00 -0.63 0.00 0.00 43.02 42.41 1s22 s PHE 31 CO -0.06 -0.64 1.47 -2.14 -0.05 0.00 0.00 175.22 173.80 1s22 s PRO 32 N -3.04 4.20 -1.39 1.99 0.02 -1.26 -0.43 135.00 135.09 1s22 s PRO 32 Ca -0.02 2.43 -0.12 0.00 0.02 0.00 0.00 61.00 63.32 1s22 s PRO 32 Cb 0.00 -3.04 0.09 0.00 0.02 0.00 0.00 34.50 31.57 1s22 s PRO 32 CO -0.06 -0.46 2.11 0.45 -0.33 0.00 0.00 177.00 178.71 1s22 n SER 33 N 1.48 4.69 -3.96 2.53 2.88 -0.14 -3.74 113.62 117.36 1s22 n SER 33 Ca 0.04 -2.96 -0.19 0.00 -1.33 0.00 0.00 58.87 54.44 1s22 n SER 33 Cb 0.40 -1.57 -0.15 0.00 -0.75 0.00 0.00 64.21 62.13 1s22 n SER 33 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1s22 s ILE 34 N 1.82 0.61 -0.08 2.46 1.01 -1.26 -4.17 121.20 121.59 1s22 s ILE 34 Ca 0.45 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.89 1s22 s ILE 34 Cb 0.12 -0.57 -0.00 0.00 0.01 0.00 0.00 42.46 42.02 1s22 s ILE 34 CO -0.05 0.21 -0.24 -0.69 0.00 0.00 0.00 174.94 174.17 1s22 s VAL 35 N 0.33 2.02 -0.07 2.92 1.01 -0.20 -1.19 120.40 125.22 1s22 s VAL 35 Ca -0.05 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 60.97 1s22 s VAL 35 Cb -0.09 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1s22 s VAL 35 CO 0.00 0.56 -0.23 -0.83 0.00 0.00 0.00 175.10 174.59 1s22 s GLY 36 N 0.17 1.33 0.20 4.51 0.00 0.59 -1.18 107.32 112.95 1s22 s GLY 36 Ca -0.13 -1.02 0.11 0.00 0.00 0.00 0.00 44.72 43.67 1s22 s GLY 36 CO 0.07 -0.58 -0.23 0.50 0.00 0.00 0.00 173.10 172.86 1s22 s ARG 37 N -0.09 1.49 0.10 2.90 0.52 -0.93 -0.85 118.95 122.09 1s22 s ARG 37 Ca -0.05 -1.53 -0.36 0.00 -0.52 0.00 0.00 55.73 53.27 1s22 s ARG 37 Cb -0.14 -1.75 -0.17 0.00 0.52 0.00 0.00 34.95 33.41 1s22 s ARG 37 CO 0.04 0.37 1.30 -2.30 0.02 0.00 0.00 175.30 174.74 1s22 n PRO 38 N 0.19 1.14 -0.28 3.54 -0.02 -1.26 -0.66 135.00 137.64 1s22 n PRO 38 Ca -0.12 0.41 -0.01 0.00 -2.02 0.00 0.00 63.50 61.76 1s22 n PRO 38 Cb 0.57 -2.02 0.18 0.00 -0.02 0.00 0.00 33.50 32.20 1s22 n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s22 h ARG 39 N 4.31 1.13 -3.81 -0.52 3.08 -1.57 -3.40 114.38 113.60 1s22 h ARG 39 Ca -0.47 -0.08 -0.59 0.00 0.07 0.00 0.00 59.98 58.91 1s22 h ARG 39 Cb 1.34 -0.25 -0.40 0.00 0.08 0.00 0.00 29.97 30.74 1s22 h ARG 39 CO 0.76 0.76 -0.75 -1.01 -1.07 0.00 0.00 179.97 178.66 1s22 s HIS 40 N -5.91 2.05 0.84 3.04 4.02 -1.26 -5.02 115.29 113.05 1s22 s HIS 40 Ca -0.12 -1.88 -0.11 0.00 1.02 0.00 0.00 55.06 53.98 1s22 s HIS 40 Cb 0.18 -1.85 0.10 0.00 -1.02 0.00 0.00 32.58 29.99 1s22 s HIS 40 CO 0.80 -0.86 1.09 -0.65 1.02 0.00 0.00 174.74 176.14 1s22 s GLN 41 N 1.50 1.67 0.00 1.40 1.11 -1.26 -5.16 119.66 118.92 1s22 s GLN 41 Ca 0.08 1.03 0.00 0.00 0.01 0.00 0.00 55.36 56.48 1s22 s GLN 41 Cb -0.18 -1.84 0.00 0.00 -1.01 0.00 0.00 33.01 29.98 1s22 s GLN 41 CO -0.20 -2.02 0.00 -3.47 0.01 0.00 0.00 175.29 169.62 1s22 n ASP 51 N -3.76 -0.11 -3.47 5.90 2.03 -1.26 -5.18 116.55 110.70 1s22 n ASP 51 Ca 0.08 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.29 1s22 n ASP 51 Cb 0.54 0.08 -0.02 0.00 -0.72 0.00 0.00 41.12 40.99 1s22 n ASP 51 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1s22 s SER 52 N -0.12 -0.47 0.08 1.67 1.04 -1.26 -4.35 113.70 110.30 1s22 s SER 52 Ca 0.00 0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.55 1s22 s SER 52 Cb 0.00 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 1s22 s SER 52 CO 0.00 -0.76 -0.15 -0.31 0.98 0.00 0.00 173.24 173.00 1s22 s TYR 53 N -3.19 1.34 0.03 5.02 2.02 -0.03 -4.99 117.35 117.56 1s22 s TYR 53 Ca 0.02 -0.47 0.06 0.00 -0.37 0.00 0.00 57.07 56.31 1s22 s TYR 53 Cb -0.01 -0.74 -0.02 0.00 -0.40 0.00 0.00 41.96 40.79 1s22 s TYR 53 CO -0.09 0.09 -0.17 0.08 -1.57 0.00 0.00 175.55 173.89 1s22 s VAL 54 N -1.39 1.36 0.00 0.71 1.01 -1.26 -0.30 120.40 120.53 1s22 s VAL 54 Ca 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1s22 s VAL 54 Cb -0.09 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1s22 s VAL 54 CO 0.03 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1s22 n GLY 55 N 2.03 1.36 0.35 4.51 0.00 -0.33 -3.48 105.19 109.62 1s22 n GLY 55 Ca -0.17 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 1s22 n GLY 55 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s22 h ASP 56 N 6.39 0.91 -0.25 1.61 3.32 -1.92 -1.72 116.42 124.76 1s22 h ASP 56 Ca 0.00 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 56.87 1s22 h ASP 56 Cb 0.00 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1s22 h ASP 56 CO 0.00 0.70 -0.31 -0.08 -1.72 0.00 0.00 179.24 177.82 1s22 h GLU 57 N 1.05 0.76 -0.74 3.56 4.81 -1.98 -0.78 114.58 121.26 1s22 h GLU 57 Ca 0.27 -0.35 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1s22 h GLU 57 Cb -0.05 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1s22 h GLU 57 CO -0.05 0.97 0.49 0.00 -0.73 0.00 0.00 179.01 179.69 1s22 h ALA 58 N 1.00 0.95 -0.77 2.92 0.00 -1.37 -0.72 119.26 121.27 1s22 h ALA 58 Ca 0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1s22 h ALA 58 Cb 0.84 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1s22 h ALA 58 CO 0.07 0.34 0.28 1.96 0.00 0.00 0.00 179.25 181.90 1s22 h GLN 59 N 0.99 1.18 -0.41 0.00 4.20 -1.01 -2.08 115.11 117.98 1s22 h GLN 59 Ca 0.28 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1s22 h GLN 59 Cb -0.09 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 1s22 h GLN 59 CO -0.07 0.97 0.01 0.77 -0.67 0.00 0.00 178.83 179.85 1s22 h SER 60 N 1.14 0.61 -0.75 1.46 0.02 -0.57 -2.41 113.55 113.04 1s22 h SER 60 Ca 0.25 -0.12 -0.21 0.00 -0.84 0.00 0.00 61.79 60.87 1s22 h SER 60 Cb 0.26 -0.16 -0.13 0.00 0.14 0.00 0.00 62.40 62.52 1s22 h SER 60 CO -0.01 0.67 0.27 0.29 -1.14 0.00 0.00 176.83 176.90 1s22 n LYS 61 N -4.26 3.81 0.22 3.45 5.02 -0.33 -4.65 118.16 121.42 1s22 n LYS 61 Ca 0.02 -3.11 0.13 0.00 -2.02 0.00 0.00 58.31 53.33 1s22 n LYS 61 Cb 0.26 -2.23 0.73 0.00 -0.02 0.00 0.00 35.03 33.77 1s22 n LYS 61 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1s22 h ARG 62 N 2.75 0.00 0.00 1.97 0.11 -0.85 -1.53 114.38 116.83 1s22 h ARG 62 Ca 0.26 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.33 1s22 h ARG 62 Cb 2.35 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.43 1s22 h ARG 62 CO 0.74 0.00 -0.05 0.78 0.10 0.00 0.00 179.97 181.55 1s22 h GLY 63 N 0.00 0.00 -0.95 0.08 0.00 -1.85 -2.78 103.07 97.57 1s22 h GLY 63 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1s22 h GLY 63 CO -0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 1s22 n ILE 64 N -3.44 0.37 -4.32 2.60 -5.35 -0.59 -5.01 119.36 103.62 1s22 n ILE 64 Ca -0.02 -0.68 -0.22 0.00 -0.27 0.00 0.00 62.75 61.56 1s22 n ILE 64 Cb 0.17 0.95 -0.11 0.00 -1.74 0.00 0.00 39.64 38.91 1s22 n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1s22 s LEU 65 N -0.91 2.42 -0.29 7.28 1.43 -1.05 -1.55 118.68 126.01 1s22 s LEU 65 Ca 0.15 -0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 52.27 1s22 s LEU 65 Cb 0.09 -0.81 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 1s22 s LEU 65 CO 0.13 -0.03 0.34 -0.89 0.23 0.00 0.00 176.35 176.13 1s22 s THR 66 N -1.95 5.19 -0.09 5.49 2.01 0.16 -4.73 115.64 121.73 1s22 s THR 66 Ca 0.14 0.38 -0.15 0.00 0.31 0.00 0.00 61.69 62.37 1s22 s THR 66 Cb -0.06 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1s22 s THR 66 CO 0.06 0.11 0.36 -0.76 -0.69 0.00 0.00 174.62 173.70 1s22 s LEU 67 N 2.01 4.35 0.03 4.42 1.43 -1.26 -2.20 118.68 127.47 1s22 s LEU 67 Ca 0.13 0.74 0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1s22 s LEU 67 Cb -0.16 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 1s22 s LEU 67 CO 0.11 0.19 -0.06 -0.54 0.23 0.00 0.00 176.35 176.28 1s22 s LYS 68 N -0.21 0.44 -0.36 1.70 1.02 -0.32 -4.98 119.74 117.02 1s22 s LYS 68 Ca 0.21 -0.63 -0.11 0.00 0.02 0.00 0.00 55.97 55.46 1s22 s LYS 68 Cb -0.15 -0.20 0.02 0.00 -0.52 0.00 0.00 37.83 36.99 1s22 s LYS 68 CO 0.09 0.03 0.20 0.71 -0.92 0.00 0.00 175.35 175.46 1s22 s TYR 69 N -1.21 3.23 -0.06 3.18 2.02 -1.26 -1.04 117.35 122.21 1s22 s TYR 69 Ca -0.10 -0.88 0.30 0.00 -0.37 0.00 0.00 57.07 56.02 1s22 s TYR 69 Cb -0.09 -2.43 1.35 0.00 -0.40 0.00 0.00 41.96 40.40 1s22 s TYR 69 CO -0.00 -0.61 1.91 -1.00 -1.57 0.00 0.00 175.55 174.28 1s22 h PRO 70 N 8.42 0.00 -5.24 -1.71 0.13 -1.87 -3.41 132.00 128.31 1s22 h PRO 70 Ca -0.27 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.21 1s22 h PRO 70 Cb 1.11 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.99 1s22 h PRO 70 CO 0.66 0.00 -0.72 0.42 -0.23 0.00 0.00 178.00 178.13 1s22 s ILE 71 N -3.60 3.40 -0.37 -3.56 1.01 -1.26 -0.90 121.20 115.92 1s22 s ILE 71 Ca 0.01 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.19 1s22 s ILE 71 Cb 0.09 -2.48 0.44 0.00 0.01 0.00 0.00 42.46 40.53 1s22 s ILE 71 CO 0.44 0.49 1.22 -0.62 0.00 0.00 0.00 174.94 176.48 1s22 n GLU 72 N 3.79 3.50 0.00 2.79 1.02 -1.26 -4.65 120.64 125.83 1s22 n GLU 72 Ca -0.18 -4.22 0.00 0.00 -0.02 0.00 0.00 57.16 52.74 1s22 n GLU 72 Cb 0.52 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 1s22 n GLU 72 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s22 n GLY 74 N -0.64 0.00 3.62 0.62 0.00 -1.26 -4.72 105.19 102.81 1s22 n GLY 74 Ca 0.43 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.11 1s22 n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s22 s ILE 75 N 0.00 4.41 -0.04 -0.61 -1.09 -1.26 -4.18 121.20 118.43 1s22 s ILE 75 Ca 0.00 -0.19 -0.30 0.00 -2.23 0.00 0.00 60.65 57.93 1s22 s ILE 75 Cb 0.00 -2.92 -0.05 0.00 -1.58 0.00 0.00 42.46 37.90 1s22 s ILE 75 CO 0.00 0.53 1.52 -0.63 -1.23 0.00 0.00 174.94 175.12 1s22 s ILE 76 N -0.14 3.66 0.00 2.92 1.01 -1.26 -4.35 121.20 123.04 1s22 s ILE 76 Ca 0.05 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.63 1s22 s ILE 76 Cb -0.12 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1s22 s ILE 76 CO 0.02 -0.05 0.00 0.35 0.00 0.00 0.00 174.94 175.26 1s22 n THR 77 N 5.11 0.00 -3.98 2.92 -2.24 -0.08 -4.92 114.28 111.09 1s22 n THR 77 Ca 0.15 -0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.36 1s22 n THR 77 Cb 0.43 0.78 -0.15 0.00 -2.10 0.00 0.00 70.33 69.29 1s22 n THR 77 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1s22 s ASN 78 N -1.24 4.58 0.15 3.42 3.84 -0.97 -4.99 114.94 119.73 1s22 s ASN 78 Ca 0.00 -2.36 -0.08 0.00 0.21 0.00 0.00 52.86 50.64 1s22 s ASN 78 Cb 0.00 -1.57 -0.01 0.00 -0.55 0.00 0.00 41.25 39.13 1s22 s ASN 78 CO 0.00 -0.34 1.44 -0.50 -2.79 0.00 0.00 177.10 174.90 1s22 h TRP 79 N 7.33 0.91 -0.79 0.43 4.06 -1.91 -0.54 115.95 125.44 1s22 h TRP 79 Ca -0.06 -0.34 -0.04 0.00 2.06 0.00 0.00 58.89 60.52 1s22 h TRP 79 Cb 0.98 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 28.94 1s22 h TRP 79 CO 0.47 1.13 0.35 -0.44 -3.56 0.00 0.00 178.44 176.38 1s22 h ASP 80 N 0.54 1.06 0.42 -3.49 3.32 -2.00 -1.16 116.42 115.10 1s22 h ASP 80 Ca 0.00 -0.15 -0.17 0.00 0.02 0.00 0.00 57.03 56.73 1s22 h ASP 80 Cb 1.17 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1s22 h ASP 80 CO 0.12 0.92 -0.72 0.44 -1.72 0.00 0.00 179.24 178.28 1s22 h ASP 81 N 1.13 0.30 -0.54 6.45 5.19 -1.95 -2.99 116.42 124.01 1s22 h ASP 81 Ca 0.27 -0.20 -0.04 0.00 -0.62 0.00 0.00 57.03 56.44 1s22 h ASP 81 Cb 0.16 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.56 1s22 h ASP 81 CO -0.03 0.92 0.21 -0.03 -3.12 0.00 0.00 179.24 177.19 1s22 h MET 82 N 0.17 0.86 -0.83 3.56 4.05 -0.60 -1.07 114.93 121.07 1s22 h MET 82 Ca -0.02 -0.14 -0.00 0.00 -0.28 0.00 0.00 59.70 59.25 1s22 h MET 82 Cb 1.28 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 31.89 1s22 h MET 82 CO 0.11 0.72 0.52 0.93 0.23 0.00 0.00 176.91 179.42 1s22 h GLU 83 N 0.84 1.11 -0.58 0.39 5.08 -1.11 -1.16 114.58 119.15 1s22 h GLU 83 Ca 0.20 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1s22 h GLU 83 Cb 0.20 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1s22 h GLU 83 CO -0.01 0.76 0.01 0.87 -1.00 0.00 0.00 179.01 179.64 1s22 h LYS 84 N 1.13 1.01 -0.17 2.33 1.79 -1.11 0.34 116.57 121.89 1s22 h LYS 84 Ca 0.30 -0.31 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 1s22 h LYS 84 Cb -0.08 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.45 1s22 h LYS 84 CO -0.06 0.99 0.01 0.82 -1.08 0.00 0.00 179.45 180.13 1s22 h ILE 85 N 0.93 0.90 -0.48 1.86 1.08 -0.48 -0.97 117.51 120.34 1s22 h ILE 85 Ca 0.17 -0.03 -0.07 0.00 -0.39 0.00 0.00 64.86 64.54 1s22 h ILE 85 Cb 0.53 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 1s22 h ILE 85 CO 0.03 0.01 0.01 -0.50 -0.69 0.00 0.00 178.15 177.01 1s22 h TRP 86 N 0.07 0.91 -0.30 1.37 6.55 -1.00 -0.73 115.95 122.83 1s22 h TRP 86 Ca 0.08 -0.15 0.05 0.00 0.95 0.00 0.00 58.89 59.81 1s22 h TRP 86 Cb 0.09 -0.24 -0.05 0.00 -0.86 0.00 0.00 29.16 28.10 1s22 h TRP 86 CO -0.15 0.86 0.02 1.25 -1.05 0.00 0.00 178.44 179.37 1s22 h HIS 87 N 0.69 0.01 -0.70 0.49 2.76 -0.78 -1.21 115.15 116.42 1s22 h HIS 87 Ca 0.14 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 1s22 h HIS 87 Cb 0.49 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 1s22 h HIS 87 CO 0.04 -0.03 0.26 1.25 -1.30 0.00 0.00 177.93 178.15 1s22 h HIS 88 N 0.11 1.08 -0.01 5.26 -0.00 -0.99 -0.81 115.15 119.79 1s22 h HIS 88 Ca 0.14 -0.09 0.01 0.00 -0.00 0.00 0.00 60.37 60.44 1s22 h HIS 88 Cb 0.18 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 1s22 h HIS 88 CO -0.21 0.84 -0.05 1.15 -0.00 0.00 0.00 177.93 179.66 1s22 h THR 89 N 1.00 0.86 0.30 6.26 2.02 -0.66 -0.13 112.91 122.55 1s22 h THR 89 Ca 0.23 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 1s22 h THR 89 Cb 0.23 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1s22 h THR 89 CO -0.02 0.00 -0.14 -0.26 0.37 0.00 0.00 175.52 175.47 1s22 h PHE 90 N -0.09 -0.37 0.06 3.16 0.04 -1.00 -0.53 116.94 118.21 1s22 h PHE 90 Ca 0.03 -0.01 -0.30 0.00 2.80 0.00 0.00 57.97 60.49 1s22 h PHE 90 Cb 0.12 0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 1s22 h PHE 90 CO -0.13 -0.03 -1.58 1.88 -0.60 0.00 0.00 178.31 177.85 1s22 h TYR 91 N -0.76 0.24 0.00 -0.55 0.05 -1.15 0.14 116.97 114.94 1s22 h TYR 91 Ca -0.04 -0.17 -0.37 0.00 0.05 0.00 0.00 58.73 58.20 1s22 h TYR 91 Cb 0.50 -0.01 -0.07 0.00 1.01 0.00 0.00 36.73 38.16 1s22 h TYR 91 CO 0.03 1.25 -2.40 0.09 -1.05 0.00 0.00 178.16 176.08 1s22 n ASN 92 N -3.30 1.39 -0.11 3.88 5.03 -0.16 -3.91 115.26 118.08 1s22 n ASN 92 Ca -0.16 -0.09 -0.23 0.00 0.87 0.00 0.00 54.58 54.96 1s22 n ASN 92 Cb 1.03 0.08 -0.11 0.00 -1.02 0.00 0.00 39.78 39.76 1s22 n ASN 92 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1s22 n GLU 93 N -3.06 0.57 0.09 3.52 -0.58 -0.61 -4.44 120.64 116.13 1s22 n GLU 93 Ca -0.40 0.51 0.07 0.00 -0.42 0.00 0.00 57.16 56.91 1s22 n GLU 93 Cb 1.03 -1.69 -0.02 0.00 -0.57 0.00 0.00 31.44 30.19 1s22 n GLU 93 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1s22 h LEU 94 N -1.00 0.00 -1.78 -4.62 3.38 -1.16 -3.48 115.31 106.66 1s22 h LEU 94 Ca -0.42 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.20 1s22 h LEU 94 Cb 1.37 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.26 1s22 h LEU 94 CO -0.26 0.25 -0.80 0.54 0.09 0.00 0.00 178.44 178.27 1s22 n ARG 95 N -2.82 -5.71 -4.35 1.13 1.74 -0.11 -5.00 116.66 101.54 1s22 n ARG 95 Ca -0.03 0.78 -0.18 0.00 -0.77 0.00 0.00 57.85 57.65 1s22 n ARG 95 Cb 0.67 -5.65 -0.10 0.00 -1.02 0.00 0.00 32.46 26.36 1s22 n ARG 95 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1s22 s VAL 96 N -3.45 1.63 -0.34 1.55 -7.23 -0.36 -5.01 120.40 107.20 1s22 s VAL 96 Ca 0.05 -2.18 -0.17 0.00 -1.81 0.00 0.00 61.98 57.87 1s22 s VAL 96 Cb -0.01 -2.10 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 1s22 s VAL 96 CO 0.76 -0.55 0.47 0.00 -0.31 0.00 0.00 175.10 175.46 1s22 s ALA 97 N -3.04 3.49 0.50 1.32 0.00 -1.26 -4.14 121.76 118.64 1s22 s ALA 97 Ca 0.23 -1.03 0.24 0.00 0.00 0.00 0.00 51.96 51.41 1s22 s ALA 97 Cb 0.01 -2.95 1.49 0.00 0.00 0.00 0.00 23.12 21.66 1s22 s ALA 97 CO 0.07 -1.14 2.14 -1.00 0.00 0.00 0.00 175.76 175.83 1s22 h PRO 98 N 8.43 0.00 0.00 0.00 0.13 -1.93 -0.74 132.00 137.89 1s22 h PRO 98 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1s22 h PRO 98 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1s22 h PRO 98 CO 0.75 0.07 0.00 -0.85 -0.23 0.00 0.00 178.00 177.74 1s22 n GLU 99 N -3.95 0.05 0.00 0.86 0.00 -1.24 -2.17 120.64 114.19 1s22 n GLU 99 Ca -0.03 0.27 0.12 0.00 0.00 0.00 0.00 57.16 57.52 1s22 n GLU 99 Cb 0.16 -1.50 0.08 0.00 0.00 0.00 0.00 31.44 30.19 1s22 n GLU 99 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1s22 n GLU 100 N -1.43 1.72 -3.82 3.44 1.02 -0.28 -4.18 120.64 117.10 1s22 n GLU 100 Ca 0.03 -1.39 -0.18 0.00 -0.02 0.00 0.00 57.16 55.60 1s22 n GLU 100 Cb 0.12 -1.47 -0.17 0.00 -0.02 0.00 0.00 31.44 29.90 1s22 n GLU 100 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1s22 s HIS 101 N -2.24 0.25 0.31 -0.32 3.76 -0.92 -4.79 115.29 111.33 1s22 s HIS 101 Ca 0.24 0.06 -0.29 0.00 -0.15 0.00 0.00 55.06 54.92 1s22 s HIS 101 Cb 0.19 -0.44 -0.12 0.00 1.11 0.00 0.00 32.58 33.32 1s22 s HIS 101 CO 0.44 -0.16 1.37 -2.30 -0.85 0.00 0.00 174.74 173.24 1s22 n PRO 102 N 4.52 2.20 -3.96 8.40 -0.02 -1.26 -4.34 135.00 140.54 1s22 n PRO 102 Ca -0.19 0.78 -0.28 0.00 -2.02 0.00 0.00 63.50 61.78 1s22 n PRO 102 Cb 0.50 -2.41 -0.17 0.00 -0.02 0.00 0.00 33.50 31.41 1s22 n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1s22 s THR 103 N -0.71 1.30 -0.18 3.45 2.01 -0.62 -0.72 115.64 120.17 1s22 s THR 103 Ca 0.59 -0.48 -0.16 0.00 0.31 0.00 0.00 61.69 61.95 1s22 s THR 103 Cb -0.58 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1s22 s THR 103 CO 0.58 0.39 0.42 -0.22 -0.69 0.00 0.00 174.62 175.10 1s22 s LEU 104 N 1.59 4.18 0.26 4.42 0.20 0.52 -2.32 118.68 127.54 1s22 s LEU 104 Ca 0.05 0.58 0.09 0.00 0.69 0.00 0.00 54.13 55.54 1s22 s LEU 104 Cb -0.13 -2.56 -0.04 0.00 -0.43 0.00 0.00 46.19 43.03 1s22 s LEU 104 CO -0.09 -0.06 0.01 -0.76 -0.29 0.00 0.00 176.35 175.16 1s22 s LEU 105 N 1.16 3.24 0.26 -0.68 1.43 0.16 -0.86 118.68 123.40 1s22 s LEU 105 Ca 0.21 -0.61 0.10 0.00 -1.03 0.00 0.00 54.13 52.79 1s22 s LEU 105 Cb -0.15 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1s22 s LEU 105 CO 0.08 -0.00 -0.04 0.42 0.23 0.00 0.00 176.35 177.04 1s22 s THR 106 N -2.30 3.30 0.06 5.49 -4.23 -1.05 -1.63 115.64 115.29 1s22 s THR 106 Ca 0.31 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.86 1s22 s THR 106 Cb -0.07 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.98 1s22 s THR 106 CO 0.20 -0.36 -0.03 -1.83 -0.54 0.00 0.00 174.62 172.06 1s22 s GLU 107 N -3.58 0.67 0.57 3.99 -1.05 -0.31 -4.64 118.70 114.35 1s22 s GLU 107 Ca 0.31 -1.25 -0.18 0.00 -0.15 0.00 0.00 54.97 53.69 1s22 s GLU 107 Cb -0.06 0.14 -0.04 0.00 -0.44 0.00 0.00 34.13 33.72 1s22 s GLU 107 CO 0.19 -0.10 1.10 0.00 0.95 0.00 0.00 175.26 177.40 1s22 s ALA 108 N -3.87 2.67 0.46 -0.84 0.00 -1.26 -1.12 121.76 117.79 1s22 s ALA 108 Ca 0.09 0.67 -0.23 0.00 0.00 0.00 0.00 51.96 52.49 1s22 s ALA 108 Cb 0.07 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 1s22 s ALA 108 CO -0.08 -0.84 1.02 -2.30 0.00 0.00 0.00 175.76 173.56 1s22 n PRO 109 N -1.62 1.31 -2.35 0.00 -0.02 -1.26 -2.44 135.00 128.62 1s22 n PRO 109 Ca 0.11 0.48 -0.20 0.00 -2.02 0.00 0.00 63.50 61.87 1s22 n PRO 109 Cb 0.52 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.88 1s22 n PRO 109 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1s22 n LEU 110 N 0.24 -1.80 -4.71 2.45 4.77 -1.26 -4.95 117.00 111.73 1s22 n LEU 110 Ca 0.10 0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.70 1s22 n LEU 110 Cb 0.41 -2.82 -0.03 0.00 -2.33 0.00 0.00 43.42 38.65 1s22 n LEU 110 CO 0.55 -0.26 1.10 0.21 -1.33 0.00 0.00 177.39 177.67 1s22 s ASN 111 N -2.09 6.79 0.38 -1.43 2.47 -1.02 -4.96 114.94 115.08 1s22 s ASN 111 Ca 0.00 2.35 -0.27 0.00 0.42 0.00 0.00 52.86 55.37 1s22 s ASN 111 Cb 0.00 -2.58 -0.11 0.00 -1.45 0.00 0.00 41.25 37.11 1s22 s ASN 111 CO 0.00 -0.69 1.27 -2.65 -3.72 0.00 0.00 177.10 171.31 1s22 n PRO 112 N 4.14 2.00 -0.31 0.43 -0.02 -1.26 -4.86 135.00 135.12 1s22 n PRO 112 Ca 0.12 0.71 0.07 0.00 -2.02 0.00 0.00 63.50 62.38 1s22 n PRO 112 Cb 0.42 -2.34 0.23 0.00 -0.02 0.00 0.00 33.50 31.79 1s22 n PRO 112 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1s22 h LYS 113 N 2.29 0.68 0.00 -0.52 -0.00 -2.00 -0.60 116.57 116.42 1s22 h LYS 113 Ca -0.47 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.65 60.09 1s22 h LYS 113 Cb 1.29 -0.15 -0.01 0.00 -0.00 0.00 0.00 32.23 33.36 1s22 h LYS 113 CO 0.61 0.45 -0.24 0.00 -0.00 0.00 0.00 179.45 180.27 1s22 h ALA 114 N 1.55 1.51 -0.15 0.07 0.00 -1.99 -1.48 119.26 118.77 1s22 h ALA 114 Ca 0.47 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 1s22 h ALA 114 Cb 0.63 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1s22 h ALA 114 CO -0.34 0.30 -0.66 -0.91 0.00 0.00 0.00 179.25 177.64 1s22 h ASN 115 N 0.00 0.84 -0.60 0.00 4.21 -1.47 -0.75 115.58 117.81 1s22 h ASN 115 Ca -0.00 -0.62 -0.06 0.00 1.21 0.00 0.00 56.30 56.82 1s22 h ASN 115 Cb 0.45 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.37 1s22 h ASN 115 CO 0.03 1.33 0.14 -0.09 -1.29 0.00 0.00 177.43 177.55 1s22 h ARG 116 N 0.41 0.99 -0.56 0.81 2.43 -1.10 -1.41 114.38 115.96 1s22 h ARG 116 Ca -0.04 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 58.86 1s22 h ARG 116 Cb 1.29 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1s22 h ARG 116 CO 0.14 0.89 0.16 0.93 -1.51 0.00 0.00 179.97 180.58 1s22 h GLU 117 N 0.94 0.87 -0.63 0.20 5.08 -1.14 -2.14 114.58 117.78 1s22 h GLU 117 Ca 0.20 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1s22 h GLU 117 Cb 0.35 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1s22 h GLU 117 CO 0.00 0.80 0.15 -0.22 -1.00 0.00 0.00 179.01 178.74 1s22 h LYS 118 N 0.78 1.01 -0.66 2.33 3.64 -0.75 -0.63 116.57 122.28 1s22 h LYS 118 Ca 0.18 -0.24 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1s22 h LYS 118 Cb 0.30 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 1s22 h LYS 118 CO -0.00 0.92 0.37 1.98 -2.27 0.00 0.00 179.45 180.44 1s22 h MET 119 N 0.92 0.66 -0.22 1.90 4.05 -1.12 -0.68 114.93 120.44 1s22 h MET 119 Ca 0.20 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.55 1s22 h MET 119 Cb 0.36 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 1s22 h MET 119 CO 0.00 0.44 0.04 1.15 0.23 0.00 0.00 176.91 178.76 1s22 h THR 120 N 0.68 1.23 -0.47 -0.77 2.02 -0.96 -1.41 112.91 113.23 1s22 h THR 120 Ca 0.30 -0.75 0.01 0.00 0.77 0.00 0.00 66.41 66.74 1s22 h THR 120 Cb 0.19 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 1s22 h THR 120 CO -0.18 0.23 0.29 -0.61 0.37 0.00 0.00 175.52 175.63 1s22 h GLN 121 N 0.16 0.58 -0.29 6.66 4.15 -0.81 -1.97 115.11 123.60 1s22 h GLN 121 Ca 0.07 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 1s22 h GLN 121 Cb 0.32 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1s22 h GLN 121 CO 0.00 0.38 0.08 0.82 -1.93 0.00 0.00 178.83 178.19 1s22 h ILE 122 N 0.60 1.20 -0.78 2.39 2.04 -1.04 0.14 117.51 122.06 1s22 h ILE 122 Ca 0.18 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.40 1s22 h ILE 122 Cb -0.03 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1s22 h ILE 122 CO -0.06 0.22 0.51 0.24 0.00 0.00 0.00 178.15 179.06 1s22 h MET 123 N 0.30 0.99 0.13 2.37 2.86 -1.00 -0.75 114.93 119.84 1s22 h MET 123 Ca 0.09 -0.06 -0.18 0.00 -2.06 0.00 0.00 59.70 57.50 1s22 h MET 123 Cb 0.26 -0.22 0.02 0.00 0.06 0.00 0.00 31.60 31.71 1s22 h MET 123 CO -0.00 0.65 -0.77 0.74 1.06 0.00 0.00 176.91 178.59 1s22 h PHE 124 N 1.02 0.53 0.14 -0.22 0.04 -1.25 -1.37 116.94 115.83 1s22 h PHE 124 Ca 0.30 -0.38 -0.33 0.00 2.80 0.00 0.00 57.97 60.36 1s22 h PHE 124 Cb -0.06 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1s22 h PHE 124 CO -0.02 1.29 -1.71 0.93 -0.60 0.00 0.00 178.31 178.20 1s22 h GLU 125 N -0.38 0.29 0.00 1.51 5.08 -0.71 -2.55 114.58 117.83 1s22 h GLU 125 Ca -0.13 -0.49 -0.10 0.00 -1.00 0.00 0.00 59.36 57.63 1s22 h GLU 125 Cb 1.60 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 31.02 1s22 h GLU 125 CO 0.15 1.16 -0.57 1.15 -1.00 0.00 0.00 179.01 179.90 1s22 h THR 126 N 0.08 1.24 -0.00 1.13 2.02 -1.27 -3.40 112.91 112.70 1s22 h THR 126 Ca -0.31 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 64.72 1s22 h THR 126 Cb 2.05 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 71.01 1s22 h THR 126 CO 0.15 0.42 -0.68 0.49 0.37 0.00 0.00 175.52 176.27 1s22 n PHE 127 N -4.54 0.00 -3.31 3.16 3.72 -0.94 -4.98 117.46 110.57 1s22 n PHE 127 Ca -0.19 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 56.97 1s22 n PHE 127 Cb 0.53 -0.11 0.02 0.00 -0.94 0.00 0.00 39.48 38.98 1s22 n PHE 127 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1s22 n ASN 128 N -1.25 -4.89 -4.75 4.37 5.03 -0.56 -3.67 115.26 109.54 1s22 n ASN 128 Ca 0.06 -0.41 -0.39 0.00 0.87 0.00 0.00 54.58 54.72 1s22 n ASN 128 Cb 0.35 -3.97 0.04 0.00 -1.02 0.00 0.00 39.78 35.17 1s22 n ASN 128 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1s22 n VAL 129 N -4.30 3.58 0.22 2.41 0.24 -0.95 -4.01 118.33 115.53 1s22 n VAL 129 Ca -0.04 -0.50 0.11 0.00 -2.04 0.00 0.00 64.34 61.87 1s22 n VAL 129 Cb 0.57 -1.71 0.39 0.00 -1.47 0.00 0.00 33.84 31.62 1s22 n VAL 129 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1s22 h PRO 130 N 1.64 0.00 -2.20 7.34 0.13 -1.75 -3.42 132.00 133.75 1s22 h PRO 130 Ca -0.51 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.67 1s22 h PRO 130 Cb 1.30 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.25 1s22 h PRO 130 CO 0.58 0.16 0.39 0.00 -0.23 0.00 0.00 178.00 178.91 1s22 s ALA 131 N -3.47 -1.80 0.26 -0.56 0.00 -1.26 -1.27 121.76 113.67 1s22 s ALA 131 Ca 0.02 1.11 -0.16 0.00 0.00 0.00 0.00 51.96 52.93 1s22 s ALA 131 Cb 0.08 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1s22 s ALA 131 CO 0.64 -0.55 0.57 0.00 0.00 0.00 0.00 175.76 176.41 1s22 s MET 132 N -2.40 1.64 -0.09 0.00 0.23 0.00 -1.59 119.30 117.10 1s22 s MET 132 Ca -0.00 -1.16 -0.23 0.00 -1.03 0.00 0.00 55.69 53.27 1s22 s MET 132 Cb -0.01 0.52 0.05 0.00 -1.53 0.00 0.00 34.83 33.87 1s22 s MET 132 CO -0.04 -0.71 0.53 -0.47 -2.03 0.00 0.00 175.02 172.31 1s22 s TYR 133 N -3.97 -0.50 -0.12 3.16 5.04 -0.98 -1.00 117.35 118.98 1s22 s TYR 133 Ca 0.18 0.98 0.02 0.00 -2.44 0.00 0.00 57.07 55.82 1s22 s TYR 133 Cb -0.03 0.26 0.01 0.00 0.35 0.00 0.00 41.96 42.55 1s22 s TYR 133 CO 0.08 -0.45 -0.18 0.08 -1.34 0.00 0.00 175.55 173.74 1s22 s VAL 134 N -0.79 1.75 0.13 3.14 1.01 -1.26 -0.67 120.40 123.72 1s22 s VAL 134 Ca -0.08 -0.79 0.11 0.00 0.00 0.00 0.00 61.98 61.21 1s22 s VAL 134 Cb -0.03 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1s22 s VAL 134 CO 0.06 0.49 -0.27 0.00 0.00 0.00 0.00 175.10 175.38 1s22 s ALA 135 N 0.92 2.39 0.09 5.51 0.00 -0.65 -4.97 121.76 125.06 1s22 s ALA 135 Ca -0.06 -1.48 -0.31 0.00 0.00 0.00 0.00 51.96 50.11 1s22 s ALA 135 Cb -0.15 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.53 1s22 s ALA 135 CO -0.02 0.53 1.28 0.42 0.00 0.00 0.00 175.76 177.97 1s22 s ILE 136 N -1.10 3.71 0.14 0.00 1.01 -1.26 -1.16 121.20 122.54 1s22 s ILE 136 Ca 0.14 1.23 -0.25 0.00 0.00 0.00 0.00 60.65 61.78 1s22 s ILE 136 Cb -0.10 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 1s22 s ILE 136 CO 0.06 0.10 1.61 1.56 0.00 0.00 0.00 174.94 178.28 1s22 h GLN 137 N 6.76 -0.34 -0.50 2.79 4.20 -1.45 -1.91 115.11 124.66 1s22 h GLN 137 Ca -0.42 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1s22 h GLN 137 Cb 1.21 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.05 1s22 h GLN 137 CO 0.83 -0.23 0.33 0.00 -0.67 0.00 0.00 178.83 179.09 1s22 h ALA 138 N 0.52 1.64 -0.35 3.87 0.00 -1.92 -1.81 119.26 121.21 1s22 h ALA 138 Ca 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1s22 h ALA 138 Cb 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1s22 h ALA 138 CO -0.36 0.33 0.11 0.28 0.00 0.00 0.00 179.25 179.60 1s22 h VAL 139 N 0.68 1.21 -0.86 0.00 2.07 -1.75 -1.54 116.25 116.06 1s22 h VAL 139 Ca 0.18 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1s22 h VAL 139 Cb -0.08 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1s22 h VAL 139 CO -0.04 0.24 0.55 -0.07 0.02 0.00 0.00 177.57 178.27 1s22 h LEU 140 N 0.41 0.92 -0.79 2.57 3.38 -0.81 -1.12 115.31 119.88 1s22 h LEU 140 Ca 0.11 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1s22 h LEU 140 Cb 0.26 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1s22 h LEU 140 CO -0.00 0.63 0.51 0.28 0.09 0.00 0.00 178.44 179.95 1s22 h SER 141 N 1.07 0.88 -0.41 -0.43 0.02 -1.05 -1.22 113.55 112.42 1s22 h SER 141 Ca 0.35 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1s22 h SER 141 Cb 0.02 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 1s22 h SER 141 CO -0.12 0.62 0.23 0.25 -1.14 0.00 0.00 176.83 176.68 1s22 h LEU 142 N 1.03 0.37 -1.39 5.07 5.85 -0.55 -2.43 115.31 123.26 1s22 h LEU 142 Ca 0.30 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.05 1s22 h LEU 142 Cb -0.07 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 1s22 h LEU 142 CO -0.08 0.27 0.43 1.88 -0.34 0.00 0.00 178.44 180.60 1s22 h TYR 143 N 0.47 0.76 0.00 1.25 0.05 -0.67 -1.20 116.97 117.64 1s22 h TYR 143 Ca 0.16 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.95 1s22 h TYR 143 Cb 0.02 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.50 1s22 h TYR 143 CO -0.08 0.45 -0.04 0.00 -1.05 0.00 0.00 178.16 177.45 1s22 h ALA 144 N 1.61 1.04 -0.14 3.88 0.00 -0.76 -0.61 119.26 124.28 1s22 h ALA 144 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1s22 h ALA 144 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1s22 h ALA 144 CO -0.07 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.10 1s22 n SER 145 N -3.19 1.74 0.00 0.00 3.41 -0.47 -4.94 113.62 110.17 1s22 n SER 145 Ca -0.01 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 1s22 n SER 145 Cb 0.26 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1s22 n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s22 n GLY 146 N 1.16 0.39 3.35 5.00 0.00 -0.24 -5.05 105.19 109.80 1s22 n GLY 146 Ca 0.17 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 1s22 n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s22 s ARG 147 N -2.09 1.29 0.00 1.61 0.52 -1.12 -5.03 118.95 114.13 1s22 s ARG 147 Ca 0.00 -1.33 0.04 0.00 -0.52 0.00 0.00 55.73 53.92 1s22 s ARG 147 Cb 0.00 -1.58 -0.03 0.00 0.52 0.00 0.00 34.95 33.85 1s22 s ARG 147 CO 0.00 0.36 0.20 0.25 0.02 0.00 0.00 175.30 176.13 1s22 n THR 148 N 0.72 0.00 -4.88 0.02 -2.24 -1.26 -3.41 114.28 103.22 1s22 n THR 148 Ca -0.16 -0.42 -0.27 0.00 -2.27 0.00 0.00 64.05 60.92 1s22 n THR 148 Cb 0.55 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.62 1s22 n THR 148 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1s22 s THR 149 N -1.25 1.52 -3.80 4.28 2.01 -1.26 -0.14 115.64 116.99 1s22 s THR 149 Ca 0.02 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.27 1s22 s THR 149 Cb 0.03 -1.31 0.00 0.00 0.01 0.00 0.00 72.50 71.22 1s22 s THR 149 CO 0.14 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 175.12 1s22 n GLY 150 N 3.29 -2.40 3.00 4.40 0.00 -0.74 -4.94 105.19 107.81 1s22 n GLY 150 Ca -0.19 -1.24 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 1s22 n GLY 150 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s22 s ILE 151 N -2.10 1.20 -0.13 -0.61 2.07 -0.26 -0.65 121.20 120.72 1s22 s ILE 151 Ca 0.00 -0.47 -0.09 0.00 -1.41 0.00 0.00 60.65 58.68 1s22 s ILE 151 Cb 0.00 -1.13 -0.04 0.00 0.13 0.00 0.00 42.46 41.42 1s22 s ILE 151 CO 0.00 0.38 0.17 -0.69 -1.91 0.00 0.00 174.94 172.89 1s22 s VAL 152 N 1.03 5.44 -0.35 4.00 1.01 -0.44 -0.74 120.40 130.34 1s22 s VAL 152 Ca -0.07 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 1s22 s VAL 152 Cb -0.15 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1s22 s VAL 152 CO -0.01 0.57 0.16 -0.22 0.00 0.00 0.00 175.10 175.60 1s22 s LEU 153 N -0.67 4.45 -0.21 3.92 2.96 -0.06 -0.85 118.68 128.23 1s22 s LEU 153 Ca 0.14 -0.94 -0.03 0.00 -0.22 0.00 0.00 54.13 53.08 1s22 s LEU 153 Cb -0.12 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 1s22 s LEU 153 CO 0.03 -0.33 -0.07 -0.62 -1.32 0.00 0.00 176.35 174.05 1s22 s ASP 154 N 1.52 4.15 -0.09 3.68 2.15 -0.35 -0.53 116.67 127.20 1s22 s ASP 154 Ca 0.02 -0.41 -0.02 0.00 0.43 0.00 0.00 52.55 52.56 1s22 s ASP 154 Cb -0.19 -1.70 0.04 0.00 -0.30 0.00 0.00 42.92 40.77 1s22 s ASP 154 CO 0.05 0.00 0.04 -0.55 -0.17 0.00 0.00 175.17 174.54 1s22 s SER 155 N 1.32 1.68 0.00 -0.34 0.15 -0.40 -0.89 113.70 115.22 1s22 s SER 155 Ca 0.04 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1s22 s SER 155 Cb -0.14 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 1s22 s SER 155 CO -0.03 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1s22 n GLY 156 N 5.21 2.58 0.09 9.45 0.00 -1.01 -1.52 105.19 119.99 1s22 n GLY 156 Ca -0.06 -0.60 -0.00 0.00 0.00 0.00 0.00 46.02 45.36 1s22 n GLY 156 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s22 n ASP 157 N 0.00 0.86 0.00 1.61 2.03 -1.26 -0.63 116.55 119.16 1s22 n ASP 157 Ca 0.00 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.69 1s22 n ASP 157 Cb 0.00 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 1s22 n ASP 157 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s22 n GLY 158 N 1.40 0.00 3.32 0.27 0.00 -1.26 -0.73 105.19 108.19 1s22 n GLY 158 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1s22 n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s22 s VAL 159 N -1.89 0.05 -0.07 1.61 0.11 -1.26 -4.34 120.40 114.61 1s22 s VAL 159 Ca 0.00 -0.42 0.04 0.00 -2.93 0.00 0.00 61.98 58.67 1s22 s VAL 159 Cb 0.00 -0.87 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 1s22 s VAL 159 CO 0.00 -0.23 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.46 1s22 s THR 160 N -2.04 1.63 0.06 5.04 2.01 -0.35 -2.39 115.64 119.61 1s22 s THR 160 Ca -0.08 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.19 1s22 s THR 160 Cb -0.02 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 1s22 s THR 160 CO 0.01 0.46 -0.17 -1.00 -0.69 0.00 0.00 174.62 173.23 1s22 s HIS 161 N 0.32 1.46 -0.19 4.92 3.76 -0.07 -0.55 115.29 124.93 1s22 s HIS 161 Ca -0.13 -0.40 -0.07 0.00 -0.15 0.00 0.00 55.06 54.31 1s22 s HIS 161 Cb -0.15 -0.84 -0.04 0.00 1.11 0.00 0.00 32.58 32.66 1s22 s HIS 161 CO 0.05 0.09 0.06 -0.80 -0.85 0.00 0.00 174.74 173.30 1s22 s ASN 162 N -1.48 5.52 -0.28 1.40 0.01 -0.30 -1.22 114.94 118.60 1s22 s ASN 162 Ca 0.03 0.02 -0.02 0.00 -0.71 0.00 0.00 52.86 52.18 1s22 s ASN 162 Cb -0.09 -1.95 0.09 0.00 0.41 0.00 0.00 41.25 39.71 1s22 s ASN 162 CO 0.02 0.13 0.08 -0.69 -1.51 0.00 0.00 177.10 175.14 1s22 s VAL 163 N 0.61 0.71 0.21 1.60 1.01 -0.03 -1.66 120.40 122.86 1s22 s VAL 163 Ca 0.03 -1.11 -0.27 0.00 0.00 0.00 0.00 61.98 60.62 1s22 s VAL 163 Cb -0.13 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.73 1s22 s VAL 163 CO 0.01 -0.55 0.86 -2.16 0.00 0.00 0.00 175.10 173.27 1s22 s PRO 164 N 1.72 4.69 -0.03 2.72 0.04 -1.26 -1.33 135.00 141.55 1s22 s PRO 164 Ca 0.06 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.43 1s22 s PRO 164 Cb -0.17 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.16 1s22 s PRO 164 CO -0.22 0.52 -0.04 0.42 0.04 0.00 0.00 177.00 177.73 1s22 s ILE 165 N -1.21 0.45 -0.08 0.56 1.01 0.18 -1.30 121.20 120.81 1s22 s ILE 165 Ca 0.39 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.94 1s22 s ILE 165 Cb -0.24 -0.47 0.02 0.00 0.01 0.00 0.00 42.46 41.78 1s22 s ILE 165 CO 0.29 0.19 -0.09 -0.47 0.00 0.00 0.00 174.94 174.86 1s22 s TYR 166 N 0.68 1.27 -1.61 3.97 5.04 -0.15 -1.78 117.35 124.77 1s22 s TYR 166 Ca -0.08 -0.51 -0.15 0.00 -2.44 0.00 0.00 57.07 53.89 1s22 s TYR 166 Cb -0.12 -1.02 0.12 0.00 0.35 0.00 0.00 41.96 41.29 1s22 s TYR 166 CO -0.00 -0.33 0.82 0.39 -1.34 0.00 0.00 175.55 175.09 1s22 n GLU 167 N 4.27 -4.03 -0.01 4.97 1.02 -1.04 -2.15 120.64 123.68 1s22 n GLU 167 Ca -0.19 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1s22 n GLU 167 Cb 0.51 -5.18 0.00 0.00 -0.02 0.00 0.00 31.44 26.75 1s22 n GLU 167 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s22 n GLY 168 N -1.56 0.46 3.25 0.62 0.00 0.80 -5.00 105.19 103.76 1s22 n GLY 168 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1s22 n GLY 168 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s22 s TYR 169 N -2.16 2.44 0.66 1.61 2.02 -0.91 -5.07 117.35 115.94 1s22 s TYR 169 Ca 0.00 -0.79 -0.17 0.00 -0.37 0.00 0.00 57.07 55.74 1s22 s TYR 169 Cb 0.00 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 1s22 s TYR 169 CO 0.00 -0.26 1.27 0.00 -1.57 0.00 0.00 175.55 174.99 1s22 s ALA 170 N -0.05 2.32 -0.68 3.71 0.00 -1.26 -0.98 121.76 124.82 1s22 s ALA 170 Ca -0.07 1.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.96 1s22 s ALA 170 Cb -0.15 -3.53 0.18 0.00 0.00 0.00 0.00 23.12 19.62 1s22 s ALA 170 CO 0.05 -1.64 0.52 -0.51 0.00 0.00 0.00 175.76 174.18 1s22 s LEU 171 N -4.54 5.57 0.42 0.00 1.43 -0.42 -4.87 118.68 116.27 1s22 s LEU 171 Ca 0.80 -2.86 0.09 0.00 -1.03 0.00 0.00 54.13 51.13 1s22 s LEU 171 Cb -0.35 -1.93 0.90 0.00 0.03 0.00 0.00 46.19 44.84 1s22 s LEU 171 CO 0.40 -0.40 2.03 -0.65 0.23 0.00 0.00 176.35 177.96 1s22 h PRO 172 N 7.14 0.36 0.00 1.29 0.11 -1.94 -1.45 132.00 137.50 1s22 h PRO 172 Ca 0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1s22 h PRO 172 Cb 0.97 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1s22 h PRO 172 CO 0.72 0.31 0.00 1.12 -0.21 0.00 0.00 178.00 179.94 1s22 h HIS 173 N 0.36 0.00 -0.07 0.65 2.07 -1.98 -2.80 115.15 113.39 1s22 h HIS 173 Ca 0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.61 1s22 h HIS 173 Cb 0.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.07 1s22 h HIS 173 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1s22 n ALA 174 N -2.04 2.44 -1.89 6.11 0.00 -0.55 -4.98 120.51 119.60 1s22 n ALA 174 Ca -0.03 -0.67 -0.41 0.00 0.00 0.00 0.00 53.44 52.33 1s22 n ALA 174 Cb 0.08 -0.39 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 1s22 n ALA 174 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1s22 s ILE 175 N -0.94 2.69 0.06 0.00 1.01 -1.06 -4.57 121.20 118.39 1s22 s ILE 175 Ca 0.15 0.58 0.07 0.00 0.00 0.00 0.00 60.65 61.45 1s22 s ILE 175 Cb 0.10 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 1s22 s ILE 175 CO 0.14 0.09 -0.17 -0.04 0.00 0.00 0.00 174.94 174.97 1s22 s MET 176 N -0.31 2.05 -0.03 2.79 -1.94 -0.66 -4.98 119.30 116.22 1s22 s MET 176 Ca 0.59 -1.01 0.04 0.00 -1.71 0.00 0.00 55.69 53.60 1s22 s MET 176 Cb -0.42 -2.20 -0.00 0.00 2.01 0.00 0.00 34.83 34.22 1s22 s MET 176 CO 0.43 0.53 -0.13 0.50 -0.01 0.00 0.00 175.02 176.33 1s22 s ARG 177 N -1.64 1.31 -0.13 2.03 3.52 -1.26 -1.15 118.95 121.63 1s22 s ARG 177 Ca 0.16 -0.47 -0.00 0.00 -0.13 0.00 0.00 55.73 55.29 1s22 s ARG 177 Cb -0.11 -1.20 0.02 0.00 -1.56 0.00 0.00 34.95 32.11 1s22 s ARG 177 CO 0.07 0.21 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.51 1s22 s LEU 178 N -0.00 1.37 -1.43 -0.88 2.96 0.29 -5.01 118.68 115.97 1s22 s LEU 178 Ca -0.01 -0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 53.44 1s22 s LEU 178 Cb -0.09 -0.96 0.05 0.00 0.50 0.00 0.00 46.19 45.69 1s22 s LEU 178 CO 0.01 -0.10 2.48 0.47 -1.32 0.00 0.00 176.35 177.89 1s22 n ASP 179 N 4.88 7.40 -3.67 3.68 8.00 -1.26 -1.21 116.55 134.38 1s22 n ASP 179 Ca -0.14 -2.92 -0.11 0.00 0.71 0.00 0.00 54.79 52.33 1s22 n ASP 179 Cb 0.50 -1.47 -0.11 0.00 -0.02 0.00 0.00 41.12 40.01 1s22 n ASP 179 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1s22 s LEU 180 N -0.65 -0.41 0.00 0.64 0.20 -1.26 -4.98 118.68 112.22 1s22 s LEU 180 Ca 0.56 0.78 0.00 0.00 0.69 0.00 0.00 54.13 56.16 1s22 s LEU 180 Cb 0.17 1.02 0.00 0.00 -0.43 0.00 0.00 46.19 46.94 1s22 s LEU 180 CO -0.07 -0.23 0.00 0.00 -0.29 0.00 0.00 176.35 175.76 1s22 n ALA 181 N 5.26 0.00 -0.28 5.97 0.00 -1.26 -3.93 120.51 126.27 1s22 n ALA 181 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.35 1s22 n ALA 181 Cb 0.50 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.08 1s22 n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1s22 h GLY 182 N 0.00 1.19 1.21 0.00 0.00 -0.76 -2.16 103.07 102.55 1s22 h GLY 182 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 1s22 h GLY 182 CO 0.00 0.23 -0.02 -0.09 0.00 0.00 0.00 176.54 176.66 1s22 h ARG 183 N 0.88 0.95 -0.57 4.80 2.43 -1.18 -0.66 114.38 121.03 1s22 h ARG 183 Ca 0.35 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1s22 h ARG 183 Cb 0.18 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1s22 h ARG 183 CO -0.18 0.95 0.24 -0.44 -1.51 0.00 0.00 179.97 179.03 1s22 h ASP 184 N 0.87 0.74 -0.40 -3.80 3.32 -1.62 0.08 116.42 115.61 1s22 h ASP 184 Ca 0.16 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1s22 h ASP 184 Cb 0.53 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1s22 h ASP 184 CO 0.03 0.66 -0.13 -0.07 -1.72 0.00 0.00 179.24 178.01 1s22 h LEU 185 N 0.80 0.80 -0.42 1.55 3.38 -0.96 -0.85 115.31 119.62 1s22 h LEU 185 Ca 0.19 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1s22 h LEU 185 Cb 0.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1s22 h LEU 185 CO -0.02 1.00 0.24 0.74 0.09 0.00 0.00 178.44 180.49 1s22 h THR 186 N 0.60 1.14 -0.92 0.22 2.02 -0.89 -1.26 112.91 113.82 1s22 h THR 186 Ca 0.10 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 67.00 1s22 h THR 186 Cb 0.66 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 67.62 1s22 h THR 186 CO 0.05 0.14 0.59 0.44 0.37 0.00 0.00 175.52 177.11 1s22 h ASP 187 N 0.55 0.94 -0.27 4.18 3.32 -0.82 0.17 116.42 124.49 1s22 h ASP 187 Ca 0.15 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 1s22 h ASP 187 Cb 0.02 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1s22 h ASP 187 CO -0.03 0.61 -0.09 0.22 -1.72 0.00 0.00 179.24 178.24 1s22 h TYR 188 N 1.08 0.61 -0.79 4.55 3.20 -0.85 -1.42 116.97 123.35 1s22 h TYR 188 Ca 0.39 -0.14 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 1s22 h TYR 188 Cb 0.13 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 1s22 h TYR 188 CO -0.02 0.76 0.32 1.25 -1.64 0.00 0.00 178.16 178.83 1s22 h LEU 189 N 0.28 1.09 -0.59 2.82 5.85 -0.77 -0.80 115.31 123.18 1s22 h LEU 189 Ca 0.07 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.69 1s22 h LEU 189 Cb 0.57 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 1s22 h LEU 189 CO 0.03 0.96 0.27 0.24 -0.34 0.00 0.00 178.44 179.60 1s22 h MET 190 N 1.15 0.48 -0.21 1.25 2.86 -0.36 -0.83 114.93 119.27 1s22 h MET 190 Ca 0.26 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 1s22 h MET 190 Cb 0.21 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1s22 h MET 190 CO -0.02 0.32 0.04 -0.22 1.06 0.00 0.00 176.91 178.09 1s22 h LYS 191 N 0.49 0.34 -0.46 1.72 3.64 -0.72 -0.15 116.57 121.43 1s22 h LYS 191 Ca 0.28 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 1s22 h LYS 191 Cb 0.26 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1s22 h LYS 191 CO -0.23 0.47 0.21 0.82 -2.27 0.00 0.00 179.45 178.45 1s22 h ILE 192 N 0.15 0.93 -0.04 2.00 2.04 -0.91 -0.76 117.51 120.91 1s22 h ILE 192 Ca 0.06 -0.14 -0.20 0.00 1.00 0.00 0.00 64.86 65.58 1s22 h ILE 192 Cb 0.29 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1s22 h ILE 192 CO 0.00 0.08 -0.82 -0.07 0.00 0.00 0.00 178.15 177.34 1s22 h LEU 193 N 0.42 0.49 -0.92 1.44 3.38 -1.06 -2.69 115.31 116.37 1s22 h LEU 193 Ca 0.21 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1s22 h LEU 193 Cb 0.14 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1s22 h LEU 193 CO -0.16 1.12 0.61 0.74 0.09 0.00 0.00 178.44 180.84 1s22 h THR 194 N 0.25 1.24 -0.06 0.22 2.02 -0.73 -2.06 112.91 113.79 1s22 h THR 194 Ca -0.05 -0.44 -0.07 0.00 0.77 0.00 0.00 66.41 66.62 1s22 h THR 194 Cb 1.42 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1s22 h THR 194 CO 0.14 0.23 -0.31 -0.33 0.37 0.00 0.00 175.52 175.63 1s22 h GLU 195 N 1.25 0.11 0.00 6.66 5.08 -0.91 -1.33 114.58 125.43 1s22 h GLU 195 Ca 0.34 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1s22 h GLU 195 Cb -0.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1s22 h GLU 195 CO -0.07 0.41 0.00 0.54 -1.00 0.00 0.00 179.01 178.89 1s22 n ARG 196 N -4.14 0.54 0.00 2.33 1.74 -0.92 -4.87 116.66 111.33 1s22 n ARG 196 Ca -0.02 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1s22 n ARG 196 Cb 0.38 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 1s22 n ARG 196 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s22 n GLY 197 N 0.82 1.12 3.13 -0.13 0.00 -0.50 -5.06 105.19 104.57 1s22 n GLY 197 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1s22 n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s22 s TYR 198 N -2.00 3.54 -0.21 1.61 2.02 -0.82 -5.02 117.35 116.47 1s22 s TYR 198 Ca 0.00 -2.40 -0.29 0.00 -0.37 0.00 0.00 57.07 54.01 1s22 s TYR 198 Cb 0.00 -3.26 -0.02 0.00 -0.40 0.00 0.00 41.96 38.28 1s22 s TYR 198 CO 0.00 -0.96 1.50 0.45 -1.57 0.00 0.00 175.55 174.97 1s22 s SER 199 N 1.76 6.56 -0.24 2.29 0.15 -1.26 -2.53 113.70 120.43 1s22 s SER 199 Ca 0.09 1.61 -0.00 0.00 0.70 0.00 0.00 55.95 58.35 1s22 s SER 199 Cb -0.23 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 61.61 1s22 s SER 199 CO -0.04 -1.11 -0.01 -0.36 1.20 0.00 0.00 173.24 172.92 1s22 s PHE 200 N 4.63 2.06 0.00 3.44 0.08 -1.26 -4.94 117.98 121.98 1s22 s PHE 200 Ca 0.66 -1.59 0.00 0.00 0.12 0.00 0.00 56.93 56.11 1s22 s PHE 200 Cb -0.23 -1.52 0.00 0.00 -0.57 0.00 0.00 43.02 40.70 1s22 s PHE 200 CO 0.26 -0.75 0.00 0.28 -0.10 0.00 0.00 175.22 174.90 1s22 n VAL 201 N 4.76 0.00 -1.62 -0.44 0.31 -1.26 -4.72 118.33 115.36 1s22 n VAL 201 Ca -0.10 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.94 1s22 n VAL 201 Cb 0.44 -0.29 0.11 0.00 -0.91 0.00 0.00 33.84 33.19 1s22 n VAL 201 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1s22 s THR 202 N -1.58 2.27 0.27 2.52 -4.23 -1.26 -4.80 115.64 108.84 1s22 s THR 202 Ca 0.00 0.09 -0.03 0.00 -1.18 0.00 0.00 61.69 60.57 1s22 s THR 202 Cb 0.00 -2.89 0.21 0.00 1.34 0.00 0.00 72.50 71.16 1s22 s THR 202 CO 0.00 -0.12 1.89 0.71 -0.54 0.00 0.00 174.62 176.56 1s22 h THR 203 N -1.30 1.23 -0.75 3.99 1.35 -2.00 0.84 112.91 116.26 1s22 h THR 203 Ca -0.49 -0.61 -0.04 0.00 -0.55 0.00 0.00 66.41 64.72 1s22 h THR 203 Cb 1.32 0.24 -0.03 0.00 -1.73 0.00 0.00 68.15 67.94 1s22 h THR 203 CO 0.62 0.26 0.30 0.00 -0.25 0.00 0.00 175.52 176.46 1s22 h ALA 204 N 1.37 0.98 -0.38 6.62 0.00 -2.00 -2.15 119.26 123.69 1s22 h ALA 204 Ca 0.26 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1s22 h ALA 204 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1s22 h ALA 204 CO -0.04 0.60 -0.26 0.93 0.00 0.00 0.00 179.25 180.48 1s22 h GLU 205 N 1.08 0.79 -0.92 0.00 5.08 -1.80 -2.85 114.58 115.97 1s22 h GLU 205 Ca 0.25 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1s22 h GLU 205 Cb 0.21 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1s22 h GLU 205 CO -0.02 0.96 0.54 -0.09 -1.00 0.00 0.00 179.01 179.41 1s22 h ARG 206 N 0.68 1.26 -0.64 2.33 2.43 -0.49 -1.72 114.38 118.23 1s22 h ARG 206 Ca 0.09 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1s22 h ARG 206 Cb 0.79 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1s22 h ARG 206 CO 0.07 0.89 0.28 0.93 -1.51 0.00 0.00 179.97 180.62 1s22 h GLU 207 N 1.27 0.93 -0.38 0.20 5.08 -1.19 0.31 114.58 120.80 1s22 h GLU 207 Ca 0.33 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1s22 h GLU 207 Cb -0.04 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1s22 h GLU 207 CO -0.06 0.74 0.11 0.82 -1.00 0.00 0.00 179.01 179.62 1s22 h ILE 208 N 0.92 1.22 -0.15 3.13 5.03 -1.16 -2.42 117.51 124.07 1s22 h ILE 208 Ca 0.22 -0.72 -0.15 0.00 -0.12 0.00 0.00 64.86 64.09 1s22 h ILE 208 Cb 0.14 0.97 -0.01 0.00 -3.03 0.00 0.00 36.82 34.89 1s22 h ILE 208 CO -0.02 0.25 -0.54 0.58 -0.68 0.00 0.00 178.15 177.73 1s22 h VAL 209 N 0.47 1.34 -0.93 1.67 2.07 -0.75 -1.31 116.25 118.81 1s22 h VAL 209 Ca 0.12 -1.81 0.04 0.00 0.82 0.00 0.00 66.70 65.87 1s22 h VAL 209 Cb 0.27 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 1s22 h VAL 209 CO -0.00 0.55 0.61 -0.09 0.02 0.00 0.00 177.57 178.66 1s22 h ARG 210 N 0.34 1.13 -0.28 1.57 2.43 -0.89 0.25 114.38 118.93 1s22 h ARG 210 Ca 0.01 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1s22 h ARG 210 Cb 1.06 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1s22 h ARG 210 CO 0.10 0.75 0.01 0.22 -1.51 0.00 0.00 179.97 179.53 1s22 h ASP 211 N 1.17 0.49 -0.32 -3.80 3.58 -0.87 -1.40 116.42 115.26 1s22 h ASP 211 Ca 0.37 -0.30 0.04 0.00 0.42 0.00 0.00 57.03 57.55 1s22 h ASP 211 Cb 0.01 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 40.89 1s22 h ASP 211 CO -0.11 0.67 0.10 0.40 -2.88 0.00 0.00 179.24 177.42 1s22 h ILE 212 N 0.29 0.89 -0.26 2.25 2.04 -0.73 -0.92 117.51 121.07 1s22 h ILE 212 Ca 0.08 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1s22 h ILE 212 Cb 0.42 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 1s22 h ILE 212 CO 0.01 0.04 -0.10 0.50 0.00 0.00 0.00 178.15 178.61 1s22 h LYS 213 N 0.23 -0.05 -0.04 2.37 3.64 -0.77 0.26 116.57 122.20 1s22 h LYS 213 Ca 0.15 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1s22 h LYS 213 Cb 0.13 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1s22 h LYS 213 CO -0.16 -0.03 -0.39 0.93 -2.27 0.00 0.00 179.45 177.52 1s22 h GLU 214 N -0.05 0.07 0.05 1.90 5.08 -0.86 -2.50 114.58 118.26 1s22 h GLU 214 Ca 0.13 -0.03 -0.31 0.00 -1.00 0.00 0.00 59.36 58.15 1s22 h GLU 214 Cb 0.25 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1s22 h GLU 214 CO -0.30 0.46 -1.74 0.87 -1.00 0.00 0.00 179.01 177.30 1s22 h LYS 215 N 0.06 0.11 0.00 2.33 1.57 -0.86 -3.42 116.57 116.36 1s22 h LYS 215 Ca 0.00 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1s22 h LYS 215 Cb 0.72 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1s22 h LYS 215 CO 0.05 0.80 -0.52 1.28 -0.57 0.00 0.00 179.45 180.49 1s22 n LEU 216 N -3.23 0.00 -4.86 2.94 4.77 0.05 -5.05 117.00 111.62 1s22 n LEU 216 Ca -0.20 -0.22 -0.31 0.00 -0.03 0.00 0.00 56.01 55.24 1s22 n LEU 216 Cb 1.05 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.12 1s22 n LEU 216 CO 0.45 0.00 0.68 0.00 -1.33 0.00 0.00 177.39 177.19 1s22 s TYR 218 N -2.83 -0.42 -0.24 0.00 -0.85 -0.58 -4.47 117.35 107.96 1s22 s TYR 218 Ca 0.57 0.15 -0.12 0.00 -0.52 0.00 0.00 57.07 57.15 1s22 s TYR 218 Cb -0.10 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.72 1s22 s TYR 218 CO 0.40 -0.89 0.24 0.08 -1.52 0.00 0.00 175.55 173.86 1s22 s VAL 219 N -3.79 5.30 0.36 -3.49 1.01 -0.16 -3.86 120.40 115.77 1s22 s VAL 219 Ca 0.03 0.33 -0.27 0.00 0.00 0.00 0.00 61.98 62.07 1s22 s VAL 219 Cb -0.01 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 1s22 s VAL 219 CO -0.09 0.29 1.23 0.00 0.00 0.00 0.00 175.10 176.52 1s22 s ALA 220 N 1.35 3.32 0.14 5.51 0.00 -1.26 -4.39 121.76 126.42 1s22 s ALA 220 Ca 0.11 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 53.05 1s22 s ALA 220 Cb -0.14 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1s22 s ALA 220 CO 0.07 -0.57 1.51 1.25 0.00 0.00 0.00 175.76 178.02 1s22 h LEU 221 N 3.05 0.91 -7.36 0.00 5.85 -1.97 -3.40 115.31 112.39 1s22 h LEU 221 Ca -0.49 -0.41 -0.56 0.00 0.84 0.00 0.00 57.88 57.26 1s22 h LEU 221 Cb 1.23 -0.25 -0.39 0.00 0.37 0.00 0.00 40.66 41.61 1s22 h LEU 221 CO 0.64 1.12 -0.77 -0.62 -0.34 0.00 0.00 178.44 178.48 1s22 s ASP 222 N -6.62 3.47 0.18 1.25 -1.08 -1.26 -4.88 116.67 107.73 1s22 s ASP 222 Ca -0.12 -1.13 -0.12 0.00 -0.52 0.00 0.00 52.55 50.66 1s22 s ASP 222 Cb 0.11 -0.85 0.10 0.00 -1.46 0.00 0.00 42.92 40.82 1s22 s ASP 222 CO 0.85 -0.31 1.82 0.15 0.52 0.00 0.00 175.17 178.20 1s22 h PHE 223 N 8.11 0.82 -0.39 -5.34 3.57 -2.00 -1.41 116.94 120.31 1s22 h PHE 223 Ca -0.16 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 1s22 h PHE 223 Cb 1.08 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 1s22 h PHE 223 CO 0.37 0.56 0.19 0.93 -2.23 0.00 0.00 178.31 178.13 1s22 h GLU 224 N 0.84 0.55 -0.83 1.11 5.08 -1.98 -0.36 114.58 118.99 1s22 h GLU 224 Ca 0.22 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1s22 h GLU 224 Cb -0.01 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 1s22 h GLU 224 CO -0.04 0.48 0.47 -0.91 -1.00 0.00 0.00 179.01 178.01 1s22 h ASN 225 N 0.49 1.02 -0.62 1.42 2.35 -1.95 -2.03 115.58 116.26 1s22 h ASN 225 Ca 0.13 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 1s22 h ASN 225 Cb 0.11 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1s22 h ASN 225 CO -0.02 0.82 0.04 -0.08 -1.65 0.00 0.00 177.43 176.54 1s22 h GLU 226 N 1.15 1.08 -0.70 0.81 4.57 -0.94 -0.80 114.58 119.75 1s22 h GLU 226 Ca 0.29 -0.32 0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1s22 h GLU 226 Cb 0.01 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.45 1s22 h GLU 226 CO -0.05 1.03 0.43 0.52 -1.18 0.00 0.00 179.01 179.76 1s22 h MET 227 N 0.98 0.81 -0.68 1.92 2.86 -0.84 -1.32 114.93 118.67 1s22 h MET 227 Ca 0.18 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1s22 h MET 227 Cb 0.52 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1s22 h MET 227 CO 0.02 0.54 0.28 0.00 1.06 0.00 0.00 176.91 178.81 1s22 h ALA 228 N 1.31 0.88 0.02 6.32 0.00 -0.92 -1.02 119.26 125.85 1s22 h ALA 228 Ca 0.29 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1s22 h ALA 228 Cb 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1s22 h ALA 228 CO -0.12 0.49 -0.01 1.15 0.00 0.00 0.00 179.25 180.76 1s22 h THR 229 N 0.96 0.99 0.00 0.00 2.02 -0.86 -2.72 112.91 113.29 1s22 h THR 229 Ca 0.23 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.32 1s22 h THR 229 Cb 0.19 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1s22 h THR 229 CO -0.02 0.01 -0.15 0.00 0.37 0.00 0.00 175.52 175.73 1s22 h ALA 230 N 0.92 1.50 0.00 6.16 0.00 -1.01 -2.02 119.26 124.81 1s22 h ALA 230 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1s22 h ALA 230 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1s22 h ALA 230 CO 0.01 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1s22 h ALA 231 N 1.85 1.00 0.00 0.00 0.00 -0.90 -3.35 119.26 117.86 1s22 h ALA 231 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s22 h ALA 231 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1s22 h ALA 231 CO 0.02 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 1s22 n SER 232 N -2.81 1.00 -3.45 0.00 3.41 -0.82 -5.05 113.62 105.90 1s22 n SER 232 Ca 0.03 -1.14 -0.12 0.00 -0.26 0.00 0.00 58.87 57.38 1s22 n SER 232 Cb 0.41 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 1s22 n SER 232 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1s22 s SER 233 N -0.14 -0.55 -0.02 4.04 0.15 -0.86 -5.03 113.70 111.30 1s22 s SER 233 Ca 0.00 0.11 0.14 0.00 0.70 0.00 0.00 55.95 56.90 1s22 s SER 233 Cb 0.00 0.56 0.44 0.00 -1.71 0.00 0.00 66.02 65.31 1s22 s SER 233 CO 0.00 -0.86 1.36 -1.54 1.20 0.00 0.00 173.24 173.40 1s22 n SER 234 N -0.16 2.79 0.26 5.45 3.41 -1.26 -4.55 113.62 119.56 1s22 n SER 234 Ca -0.16 -2.07 0.15 0.00 -0.26 0.00 0.00 58.87 56.53 1s22 n SER 234 Cb 0.63 -0.36 0.66 0.00 -0.26 0.00 0.00 64.21 64.88 1s22 n SER 234 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1s22 h SER 235 N 2.83 0.00 -0.14 4.04 4.64 -1.94 -2.18 113.55 120.80 1s22 h SER 235 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s22 h SER 235 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1s22 h SER 235 CO 0.04 0.08 0.00 0.18 -0.87 0.00 0.00 176.83 176.26 1s22 n LEU 236 N -3.24 2.53 -4.76 5.97 4.77 -1.26 -4.97 117.00 116.04 1s22 n LEU 236 Ca -0.00 -0.95 -0.40 0.00 -0.03 0.00 0.00 56.01 54.62 1s22 n LEU 236 Cb 0.32 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.28 1s22 n LEU 236 CO 0.29 0.48 0.77 -1.61 -1.33 0.00 0.00 177.39 175.99 1s22 s GLU 237 N -1.83 4.67 0.06 3.23 2.02 -0.82 -4.60 118.70 121.42 1s22 s GLU 237 Ca 0.34 1.76 0.04 0.00 0.02 0.00 0.00 54.97 57.13 1s22 s GLU 237 Cb 0.20 -3.20 -0.03 0.00 0.10 0.00 0.00 34.13 31.21 1s22 s GLU 237 CO 0.30 0.25 -0.12 0.15 0.02 0.00 0.00 175.26 175.87 1s22 s LYS 238 N -1.40 0.70 0.21 1.61 -0.14 -0.24 -4.99 119.74 115.49 1s22 s LYS 238 Ca 0.44 -0.87 0.10 0.00 -1.36 0.00 0.00 55.97 54.27 1s22 s LYS 238 Cb -0.31 -0.61 -0.04 0.00 -1.68 0.00 0.00 37.83 35.18 1s22 s LYS 238 CO 0.40 0.13 -0.12 -1.12 -0.76 0.00 0.00 175.35 173.88 1s22 s SER 239 N -1.67 4.07 -0.14 2.83 0.01 -1.26 -0.83 113.70 116.70 1s22 s SER 239 Ca -0.05 -0.70 -0.07 0.00 1.31 0.00 0.00 55.95 56.44 1s22 s SER 239 Cb -0.10 -0.60 0.06 0.00 0.21 0.00 0.00 66.02 65.59 1s22 s SER 239 CO 0.02 0.08 0.33 -0.47 0.41 0.00 0.00 173.24 173.61 1s22 s TYR 240 N -1.90 -0.50 -0.23 2.43 5.04 -0.07 -4.99 117.35 117.12 1s22 s TYR 240 Ca 0.26 1.09 -0.24 0.00 -2.44 0.00 0.00 57.07 55.74 1s22 s TYR 240 Cb -0.08 0.14 -0.01 0.00 0.35 0.00 0.00 41.96 42.37 1s22 s TYR 240 CO 0.15 -0.33 0.79 -2.00 -1.34 0.00 0.00 175.55 172.82 1s22 s GLU 241 N 1.69 4.19 0.62 4.97 2.12 -1.26 -1.19 118.70 129.83 1s22 s GLU 241 Ca -0.07 0.87 -0.12 0.00 0.36 0.00 0.00 54.97 56.02 1s22 s GLU 241 Cb -0.10 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 1s22 s GLU 241 CO -0.11 -0.47 1.03 -0.51 -0.54 0.00 0.00 175.26 174.67 1s22 s LEU 242 N 2.67 3.27 0.54 2.70 1.43 0.49 -4.94 118.68 124.84 1s22 s LEU 242 Ca 0.34 1.47 0.31 0.00 -1.03 0.00 0.00 54.13 55.21 1s22 s LEU 242 Cb -0.15 -4.48 1.47 0.00 0.03 0.00 0.00 46.19 43.06 1s22 s LEU 242 CO 0.08 -0.91 1.91 -0.65 0.23 0.00 0.00 176.35 177.01 1s22 h PRO 243 N -0.20 0.00 -0.05 1.29 0.11 -1.97 -0.18 132.00 130.99 1s22 h PRO 243 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1s22 h PRO 243 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1s22 h PRO 243 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 1s22 n ASP 244 N -4.28 0.50 0.00 -2.05 5.68 -1.26 -4.91 116.55 110.22 1s22 n ASP 244 Ca 0.17 -1.56 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 1s22 n ASP 244 Cb 0.91 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 1s22 n ASP 244 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s22 n GLY 245 N 0.86 2.23 3.77 6.12 0.00 -0.08 -5.04 105.19 113.05 1s22 n GLY 245 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1s22 n GLY 245 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s22 s GLN 246 N -0.25 3.77 -0.26 1.61 -0.21 -1.26 -4.74 119.66 118.32 1s22 s GLN 246 Ca 0.00 2.25 -0.07 0.00 0.02 0.00 0.00 55.36 57.56 1s22 s GLN 246 Cb 0.00 -2.66 -0.02 0.00 1.00 0.00 0.00 33.01 31.33 1s22 s GLN 246 CO 0.00 -0.69 0.08 0.08 -2.12 0.00 0.00 175.29 172.64 1s22 s VAL 247 N -1.25 4.29 -0.08 1.09 1.01 -1.26 -0.38 120.40 123.81 1s22 s VAL 247 Ca 0.60 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 1s22 s VAL 247 Cb -0.40 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1s22 s VAL 247 CO 0.51 0.29 0.20 -0.51 0.00 0.00 0.00 175.10 175.59 1s22 s ILE 248 N 1.60 5.41 -0.08 2.22 2.07 -0.33 -4.91 121.20 127.18 1s22 s ILE 248 Ca 0.06 0.29 0.03 0.00 -1.41 0.00 0.00 60.65 59.62 1s22 s ILE 248 Cb -0.15 -3.47 -0.02 0.00 0.13 0.00 0.00 42.46 38.95 1s22 s ILE 248 CO 0.04 0.58 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.58 1s22 s THR 249 N -1.07 2.73 0.12 4.00 2.01 -1.26 -0.89 115.64 121.28 1s22 s THR 249 Ca 0.18 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 61.45 1s22 s THR 249 Cb -0.13 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 1s22 s THR 249 CO 0.07 0.56 -0.20 0.27 -0.69 0.00 0.00 174.62 174.64 1s22 s ILE 250 N -0.16 1.72 0.00 1.82 -4.36 -0.01 -4.98 121.20 115.23 1s22 s ILE 250 Ca -0.02 -1.67 0.00 0.00 -0.26 0.00 0.00 60.65 58.70 1s22 s ILE 250 Cb -0.14 -1.64 0.00 0.00 1.25 0.00 0.00 42.46 41.93 1s22 s ILE 250 CO 0.03 -0.16 0.00 0.61 0.24 0.00 0.00 174.94 175.66 1s22 n GLY 251 N 0.80 1.03 0.30 6.27 0.00 -1.26 -1.08 105.19 111.25 1s22 n GLY 251 Ca -0.17 -0.08 0.18 0.00 0.00 0.00 0.00 46.02 45.95 1s22 n GLY 251 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1s22 h ASN 252 N 0.00 0.00 -0.38 1.61 7.08 -1.91 -1.35 115.58 120.64 1s22 h ASN 252 Ca 0.00 0.00 0.09 0.00 -3.08 0.00 0.00 56.30 53.31 1s22 h ASN 252 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.22 1s22 h ASN 252 CO 0.00 0.03 0.27 -0.33 -2.08 0.00 0.00 177.43 175.32 1s22 h GLU 253 N 0.00 0.10 -0.97 4.14 3.07 -1.98 0.45 114.58 119.39 1s22 h GLU 253 Ca -0.00 -0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.91 1s22 h GLU 253 Cb 0.23 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.05 1s22 h GLU 253 CO 0.00 0.07 0.62 0.00 -1.40 0.00 0.00 179.01 178.30 1s22 h ARG 254 N 0.10 1.12 0.00 2.33 3.08 -1.55 -2.78 114.38 116.68 1s22 h ARG 254 Ca 0.18 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1s22 h ARG 254 Cb 0.57 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1s22 h ARG 254 CO -0.02 0.74 -1.41 1.97 -1.07 0.00 0.00 179.97 180.18 1s22 n PHE 255 N -4.52 0.00 -0.05 3.04 1.16 -0.97 -1.53 117.46 114.60 1s22 n PHE 255 Ca 0.14 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.70 1s22 n PHE 255 Cb 0.16 -0.24 0.24 0.00 -1.61 0.00 0.00 39.48 38.03 1s22 n PHE 255 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1s22 h ARG 256 N 0.00 0.63 0.83 3.97 3.08 -0.90 -1.80 114.38 120.20 1s22 h ARG 256 Ca 0.00 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 1s22 h ARG 256 Cb 0.54 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.52 1s22 h ARG 256 CO 0.00 0.65 -0.40 0.00 -1.07 0.00 0.00 179.97 179.15 1s22 n PRO 258 N -5.12 0.15 -0.00 0.00 -0.04 -1.24 -2.52 135.00 126.23 1s22 n PRO 258 Ca -0.14 0.28 0.21 0.00 -0.04 0.00 0.00 63.50 63.80 1s22 n PRO 258 Cb 0.44 -1.73 0.70 0.00 -0.04 0.00 0.00 33.50 32.86 1s22 n PRO 258 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1s22 h GLU 259 N 0.00 0.00 -0.97 0.54 4.57 -1.20 -1.62 114.58 115.90 1s22 h GLU 259 Ca 0.00 0.00 0.25 0.00 -1.18 0.00 0.00 59.36 58.43 1s22 h GLU 259 Cb 0.46 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.99 1s22 h GLU 259 CO 0.00 0.00 0.66 1.15 -1.18 0.00 0.00 179.01 179.64 1s22 h THR 260 N 0.00 0.57 -0.73 0.32 2.02 -1.53 0.18 112.91 113.74 1s22 h THR 260 Ca 0.26 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.39 1s22 h THR 260 Cb 1.04 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 1s22 h THR 260 CO -0.00 0.05 0.48 -0.07 0.37 0.00 0.00 175.52 176.34 1s22 h LEU 261 N 0.26 0.74 0.00 2.58 3.38 -1.52 -1.78 115.31 118.96 1s22 h LEU 261 Ca 0.50 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.32 1s22 h LEU 261 Cb 1.52 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 1s22 h LEU 261 CO -0.15 0.50 -1.32 -0.26 0.09 0.00 0.00 178.44 177.31 1s22 h PHE 262 N 0.85 0.00 -2.56 1.13 0.04 -0.93 -0.43 116.94 115.04 1s22 h PHE 262 Ca 0.30 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.47 1s22 h PHE 262 Cb 0.11 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 37.86 1s22 h PHE 262 CO -0.00 0.53 -0.82 1.04 -0.60 0.00 0.00 178.31 178.46 1s22 n GLN 263 N -2.90 1.02 0.31 1.51 6.02 0.14 -4.06 117.38 119.42 1s22 n GLN 263 Ca -0.08 -3.77 0.20 0.00 -0.01 0.00 0.00 57.00 53.34 1s22 n GLN 263 Cb 0.81 -1.88 1.08 0.00 1.02 0.00 0.00 30.24 31.27 1s22 n GLN 263 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1s22 h PRO 264 N 5.23 0.00 -0.04 -1.09 0.11 -1.55 -0.78 132.00 133.88 1s22 h PRO 264 Ca 0.20 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.32 1s22 h PRO 264 Cb 0.83 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1s22 h PRO 264 CO 0.54 0.00 0.10 0.66 -0.21 0.00 0.00 178.00 179.09 1s22 h SER 265 N 0.00 0.00 -0.17 -2.05 4.64 -1.70 -2.04 113.55 112.22 1s22 h SER 265 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1s22 h SER 265 Cb 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1s22 h SER 265 CO 0.00 0.00 0.15 -0.26 -0.87 0.00 0.00 176.83 175.85 1s22 h PHE 266 N 0.00 0.00 -0.16 4.77 -1.00 -1.44 -1.66 116.94 117.45 1s22 h PHE 266 Ca 0.02 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.77 1s22 h PHE 266 Cb 0.22 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 1s22 h PHE 266 CO 0.00 0.00 -0.05 0.44 -1.61 0.00 0.00 178.31 177.09 1s22 n ILE 267 N -4.10 2.19 -1.07 -0.55 -5.35 -0.82 -4.98 119.36 104.68 1s22 n ILE 267 Ca 0.01 -2.26 -0.02 0.00 -0.27 0.00 0.00 62.75 60.21 1s22 n ILE 267 Cb 0.28 -0.26 -0.01 0.00 -1.74 0.00 0.00 39.64 37.91 1s22 n ILE 267 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s22 n GLY 268 N -0.98 0.58 3.82 3.28 0.00 -0.63 -5.05 105.19 106.21 1s22 n GLY 268 Ca 0.21 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 1s22 n GLY 268 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s22 s MET 269 N -1.87 3.87 0.00 1.61 -1.94 -0.88 -4.94 119.30 115.16 1s22 s MET 269 Ca 0.00 0.15 0.15 0.00 -1.71 0.00 0.00 55.69 54.28 1s22 s MET 269 Cb 0.00 -3.27 0.53 0.00 2.01 0.00 0.00 34.83 34.09 1s22 s MET 269 CO 0.00 0.58 1.39 -0.85 -0.01 0.00 0.00 175.02 176.14 1s22 n GLU 270 N 2.40 1.70 -2.15 2.03 0.00 -1.26 -2.08 120.64 121.27 1s22 n GLU 270 Ca -0.15 -1.07 -0.34 0.00 0.00 0.00 0.00 57.16 55.60 1s22 n GLU 270 Cb 0.53 -1.31 0.01 0.00 0.00 0.00 0.00 31.44 30.66 1s22 n GLU 270 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1s22 s SER 271 N -1.27 5.70 0.48 -1.84 0.01 -1.26 -5.00 113.70 110.52 1s22 s SER 271 Ca 0.26 2.02 -0.23 0.00 1.31 0.00 0.00 55.95 59.32 1s22 s SER 271 Cb 0.14 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.73 1s22 s SER 271 CO 0.20 -1.23 1.15 0.00 0.41 0.00 0.00 173.24 173.77 1s22 n ALA 272 N -1.64 0.79 -1.92 1.44 0.00 -1.26 -4.42 120.51 113.50 1s22 n ALA 272 Ca 0.10 0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.43 1s22 n ALA 272 Cb 0.52 -2.20 0.12 0.00 0.00 0.00 0.00 19.45 17.89 1s22 n ALA 272 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1s22 s GLY 273 N -0.81 1.67 0.46 0.00 0.00 -1.26 -4.76 107.32 102.62 1s22 s GLY 273 Ca 0.67 -0.91 0.22 0.00 0.00 0.00 0.00 44.72 44.70 1s22 s GLY 273 CO 0.54 -0.34 1.95 0.16 0.00 0.00 0.00 173.10 175.41 1s22 h ILE 274 N -1.16 0.78 -0.35 0.90 3.07 -1.32 0.06 117.51 119.48 1s22 h ILE 274 Ca -0.45 -0.87 -0.15 0.00 1.55 0.00 0.00 64.86 64.94 1s22 h ILE 274 Cb 1.29 1.53 -0.01 0.00 -0.27 0.00 0.00 36.82 39.36 1s22 h ILE 274 CO 0.55 0.21 -0.37 1.12 -1.05 0.00 0.00 178.15 178.62 1s22 h HIS 275 N 0.00 0.98 -0.30 0.16 2.07 -1.90 -2.08 115.15 114.08 1s22 h HIS 275 Ca -0.00 -0.28 -0.17 0.00 -2.85 0.00 0.00 60.37 57.07 1s22 h HIS 275 Cb 0.51 -0.21 -0.00 0.00 2.57 0.00 0.00 27.41 30.28 1s22 h HIS 275 CO 0.00 1.07 -0.45 0.93 -3.07 0.00 0.00 177.93 176.40 1s22 h GLU 276 N 0.68 0.85 -0.50 5.12 5.08 -1.55 -1.68 114.58 122.57 1s22 h GLU 276 Ca 0.06 -0.50 -0.09 0.00 -1.00 0.00 0.00 59.36 57.83 1s22 h GLU 276 Cb 0.93 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1s22 h GLU 276 CO 0.09 1.14 -0.05 1.79 -1.00 0.00 0.00 179.01 180.97 1s22 h THR 277 N 0.62 1.26 0.22 1.13 1.35 -1.05 0.16 112.91 116.59 1s22 h THR 277 Ca 0.03 -1.13 -0.01 0.00 -0.55 0.00 0.00 66.41 64.75 1s22 h THR 277 Cb 1.06 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1s22 h THR 277 CO 0.11 0.40 -0.10 0.74 -0.25 0.00 0.00 175.52 176.41 1s22 h THR 278 N 0.80 0.79 -0.47 6.82 2.02 -1.29 -0.81 112.91 120.77 1s22 h THR 278 Ca 0.14 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1s22 h THR 278 Cb 0.55 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1s22 h THR 278 CO 0.03 0.00 0.25 0.22 0.37 0.00 0.00 175.52 176.40 1s22 h TYR 279 N -0.30 0.65 -0.77 3.16 3.20 -1.12 -1.84 116.97 119.95 1s22 h TYR 279 Ca -0.03 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 1s22 h TYR 279 Cb 0.23 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 1s22 h TYR 279 CO -0.06 0.49 0.48 -0.91 -1.64 0.00 0.00 178.16 176.51 1s22 h ASN 280 N 0.62 0.90 -0.21 -2.11 2.35 -0.57 -0.58 115.58 115.98 1s22 h ASN 280 Ca 0.16 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1s22 h ASN 280 Cb 0.06 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1s22 h ASN 280 CO -0.03 0.68 0.00 -1.28 -1.65 0.00 0.00 177.43 175.16 1s22 h SER 281 N 1.05 0.35 -0.96 5.81 0.87 -0.82 -1.98 113.55 117.87 1s22 h SER 281 Ca 0.28 -0.31 0.05 0.00 -1.23 0.00 0.00 61.79 60.58 1s22 h SER 281 Cb -0.07 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 61.74 1s22 h SER 281 CO -0.05 0.57 0.62 0.40 -0.53 0.00 0.00 176.83 177.84 1s22 h ILE 282 N 0.13 1.13 0.00 2.23 2.04 -0.88 -2.28 117.51 119.87 1s22 h ILE 282 Ca 0.06 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1s22 h ILE 282 Cb 0.39 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1s22 h ILE 282 CO 0.01 0.21 0.00 0.24 0.00 0.00 0.00 178.15 178.61 1s22 h MET 283 N 1.17 0.00 0.00 2.37 2.86 -0.69 -1.83 114.93 118.81 1s22 h MET 283 Ca 0.39 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.03 1s22 h MET 283 Cb 0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1s22 h MET 283 CO -0.14 0.00 -0.04 0.87 1.06 0.00 0.00 176.91 178.66 1s22 h LYS 284 N 0.00 0.00 -7.24 1.72 1.79 -0.76 -3.47 116.57 108.61 1s22 h LYS 284 Ca 0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 1s22 h LYS 284 Cb 0.52 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.22 1s22 h LYS 284 CO 0.00 0.04 0.34 0.00 -1.08 0.00 0.00 179.45 178.75 1s22 n ASP 286 N -2.61 1.78 -0.32 0.00 -0.08 -1.26 -4.81 116.55 109.25 1s22 n ASP 286 Ca 0.05 1.11 0.29 0.00 -1.51 0.00 0.00 54.79 54.72 1s22 n ASP 286 Cb 0.54 -1.15 0.63 0.00 2.34 0.00 0.00 41.12 43.48 1s22 n ASP 286 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1s22 h ILE 287 N 3.95 0.46 0.00 5.18 2.10 -1.92 -0.82 117.51 126.46 1s22 h ILE 287 Ca -0.47 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.40 1s22 h ILE 287 Cb 1.34 0.25 0.00 0.00 -1.09 0.00 0.00 36.82 37.32 1s22 h ILE 287 CO 0.83 0.04 0.00 0.47 -1.08 0.00 0.00 178.15 178.41 1s22 n ASP 288 N -4.42 0.00 -0.35 2.19 8.00 -1.26 -2.97 116.55 117.74 1s22 n ASP 288 Ca 0.25 0.36 0.06 0.00 0.71 0.00 0.00 54.79 56.17 1s22 n ASP 288 Cb 1.06 -0.45 0.01 0.00 -0.02 0.00 0.00 41.12 41.72 1s22 n ASP 288 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1s22 n ILE 289 N -1.45 0.00 -0.27 0.53 -5.35 -0.32 -4.72 119.36 107.78 1s22 n ILE 289 Ca 0.07 -0.41 -0.07 0.00 -0.27 0.00 0.00 62.75 62.08 1s22 n ILE 289 Cb 0.26 1.18 0.05 0.00 -1.74 0.00 0.00 39.64 39.40 1s22 n ILE 289 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1s22 h ARG 290 N 1.70 1.17 -0.82 6.28 3.08 -1.48 -2.04 114.38 122.27 1s22 h ARG 290 Ca 0.00 -0.25 0.12 0.00 0.07 0.00 0.00 59.98 59.92 1s22 h ARG 290 Cb 0.46 -0.17 -0.08 0.00 0.08 0.00 0.00 29.97 30.26 1s22 h ARG 290 CO 0.00 0.99 0.43 -0.22 -1.07 0.00 0.00 179.97 180.11 1s22 h LYS 291 N 1.12 0.66 -0.24 0.04 1.63 -1.84 0.18 116.57 118.11 1s22 h LYS 291 Ca 0.24 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.87 1s22 h LYS 291 Cb 0.32 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1s22 h LYS 291 CO -0.01 0.43 -0.39 -0.44 -3.45 0.00 0.00 179.45 175.60 1s22 h ASP 292 N 0.67 0.58 -0.27 4.20 3.32 -1.72 -2.48 116.42 120.72 1s22 h ASP 292 Ca 0.42 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 1s22 h ASP 292 Cb 0.51 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1s22 h ASP 292 CO -0.31 0.91 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.00 1s22 h LEU 293 N 0.46 0.51 -1.66 1.55 3.38 -0.72 -2.78 115.31 116.04 1s22 h LEU 293 Ca 0.04 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.69 1s22 h LEU 293 Cb 0.88 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1s22 h LEU 293 CO 0.08 0.75 0.28 1.88 0.09 0.00 0.00 178.44 181.52 1s22 h TYR 294 N 0.27 0.42 -0.02 1.13 -1.99 -0.88 -0.97 116.97 114.94 1s22 h TYR 294 Ca 0.07 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.81 1s22 h TYR 294 Cb 0.52 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.11 1s22 h TYR 294 CO 0.05 0.25 0.00 0.00 -0.00 0.00 0.00 178.16 178.46 1s22 n ALA 295 N -2.50 2.60 -2.79 3.88 0.00 -0.95 -1.75 120.51 119.01 1s22 n ALA 295 Ca 0.05 -0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.01 1s22 n ALA 295 Cb 0.17 -1.26 0.04 0.00 0.00 0.00 0.00 19.45 18.39 1s22 n ALA 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s22 n ASN 296 N -0.17 0.44 -4.57 0.00 3.02 -0.37 -4.37 115.26 109.24 1s22 n ASN 296 Ca 0.20 -2.80 -0.42 0.00 -0.03 0.00 0.00 54.58 51.52 1s22 n ASN 296 Cb 0.28 -0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.30 1s22 n ASN 296 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1s22 s ASN 297 N -2.50 6.52 -0.15 6.41 3.04 -0.96 -1.11 114.94 126.19 1s22 s ASN 297 Ca 0.29 0.23 -0.04 0.00 0.04 0.00 0.00 52.86 53.37 1s22 s ASN 297 Cb 0.41 -2.40 -0.03 0.00 -1.54 0.00 0.00 41.25 37.70 1s22 s ASN 297 CO -0.02 -0.81 -0.03 -0.69 -3.04 0.00 0.00 177.10 172.51 1s22 s VAL 298 N 3.21 3.94 -0.11 -5.21 1.01 0.08 -0.42 120.40 122.90 1s22 s VAL 298 Ca 0.32 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.83 1s22 s VAL 298 Cb -0.13 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1s22 s VAL 298 CO 0.19 0.50 0.29 -0.04 0.00 0.00 0.00 175.10 176.04 1s22 s MET 299 N 0.31 4.00 0.03 2.72 1.00 0.26 -0.88 119.30 126.73 1s22 s MET 299 Ca -0.03 0.12 0.03 0.00 0.00 0.00 0.00 55.69 55.81 1s22 s MET 299 Cb -0.14 -3.32 -0.02 0.00 0.00 0.00 0.00 34.83 31.35 1s22 s MET 299 CO 0.03 0.47 -0.09 0.45 0.00 0.00 0.00 175.02 175.88 1s22 s SER 300 N -0.25 1.02 0.00 3.03 0.15 0.31 -4.42 113.70 113.55 1s22 s SER 300 Ca 0.18 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1s22 s SER 300 Cb -0.14 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1s22 s SER 300 CO 0.06 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1s22 n GLY 301 N 2.09 2.24 0.32 9.45 0.00 -0.18 -1.28 105.19 117.83 1s22 n GLY 301 Ca -0.18 -1.84 0.05 0.00 0.00 0.00 0.00 46.02 44.05 1s22 n GLY 301 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1s22 h GLY 302 N 0.00 0.61 1.57 -0.02 0.00 -1.71 -1.61 103.07 101.92 1s22 h GLY 302 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1s22 h GLY 302 CO 0.00 0.20 0.00 2.41 0.00 0.00 0.00 176.54 179.15 1s22 n THR 303 N -4.47 0.21 0.69 4.70 -1.04 -0.58 -1.98 114.28 111.82 1s22 n THR 303 Ca 0.05 0.05 0.07 0.00 -2.04 0.00 0.00 64.05 62.18 1s22 n THR 303 Cb 0.11 -0.64 0.20 0.00 -1.82 0.00 0.00 70.33 68.18 1s22 n THR 303 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1s22 n THR 304 N -1.29 0.54 0.74 12.58 -2.24 -0.60 -4.39 114.28 119.62 1s22 n THR 304 Ca 0.12 -0.55 0.13 0.00 -2.27 0.00 0.00 64.05 61.48 1s22 n THR 304 Cb 0.20 0.30 0.47 0.00 -2.10 0.00 0.00 70.33 69.20 1s22 n THR 304 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1s22 n MET 305 N 0.72 0.18 -1.66 -0.78 2.81 -0.84 -4.90 117.12 112.65 1s22 n MET 305 Ca 0.14 0.15 -0.46 0.00 -1.81 0.00 0.00 57.70 55.72 1s22 n MET 305 Cb 0.36 -1.71 -0.04 0.00 -0.71 0.00 0.00 33.22 31.12 1s22 n MET 305 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1s22 n TYR 306 N -2.02 2.23 -1.65 2.03 4.01 -1.26 -4.92 117.16 115.58 1s22 n TYR 306 Ca 0.06 0.28 -0.45 0.00 -0.16 0.00 0.00 57.90 57.64 1s22 n TYR 306 Cb 0.40 -2.53 -0.02 0.00 -0.31 0.00 0.00 39.34 36.87 1s22 n TYR 306 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1s22 n PRO 307 N 3.47 1.80 0.00 -0.72 -0.02 -1.26 -2.32 135.00 135.95 1s22 n PRO 307 Ca 0.17 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1s22 n PRO 307 Cb 0.28 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1s22 n PRO 307 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s22 n GLY 308 N 1.60 2.25 0.30 -1.23 0.00 -1.26 -0.99 105.19 105.86 1s22 n GLY 308 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 1s22 n GLY 308 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1s22 h ILE 309 N 0.00 1.24 -0.35 -0.61 2.10 -1.69 -0.50 117.51 117.71 1s22 h ILE 309 Ca 0.00 -0.98 -0.11 0.00 1.08 0.00 0.00 64.86 64.85 1s22 h ILE 309 Cb 0.00 0.79 -0.01 0.00 -1.09 0.00 0.00 36.82 36.51 1s22 h ILE 309 CO 0.00 0.35 -0.21 0.00 -1.08 0.00 0.00 178.15 177.21 1s22 h ALA 310 N 1.23 0.49 -0.75 0.18 0.00 -1.90 -0.31 119.26 118.20 1s22 h ALA 310 Ca 0.16 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1s22 h ALA 310 Cb 0.42 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1s22 h ALA 310 CO 0.01 0.45 0.24 -0.44 0.00 0.00 0.00 179.25 179.52 1s22 h ASP 311 N 0.53 1.07 -0.34 0.00 3.32 -1.93 0.23 116.42 119.30 1s22 h ASP 311 Ca 0.07 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 1s22 h ASP 311 Cb 0.76 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1s22 h ASP 311 CO 0.06 0.99 0.02 -0.09 -1.72 0.00 0.00 179.24 178.49 1s22 h ARG 312 N 1.11 0.59 -0.70 3.56 9.65 -0.92 -1.75 114.38 125.92 1s22 h ARG 312 Ca 0.24 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 58.93 1s22 h ARG 312 Cb 0.29 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.78 1s22 h ARG 312 CO -0.01 0.70 0.37 1.98 2.80 0.00 0.00 179.97 185.82 1s22 h MET 313 N 0.41 0.98 -0.52 0.20 4.05 -0.77 -0.42 114.93 118.86 1s22 h MET 313 Ca 0.10 -0.12 0.08 0.00 -0.28 0.00 0.00 59.70 59.48 1s22 h MET 313 Cb 0.42 -0.19 -0.06 0.00 -0.80 0.00 0.00 31.60 30.97 1s22 h MET 313 CO 0.01 0.74 0.16 0.37 0.23 0.00 0.00 176.91 178.43 1s22 h GLN 314 N 0.96 0.32 -0.33 0.39 5.75 -0.77 -0.19 115.11 121.24 1s22 h GLN 314 Ca 0.24 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.71 1s22 h GLN 314 Cb 0.05 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1s22 h GLN 314 CO -0.04 0.21 0.14 -0.22 -2.65 0.00 0.00 178.83 176.28 1s22 h LYS 315 N 0.33 0.49 -0.33 1.69 3.64 -0.81 -1.76 116.57 119.81 1s22 h LYS 315 Ca 0.26 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.38 1s22 h LYS 315 Cb 0.30 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1s22 h LYS 315 CO -0.28 0.47 -0.46 0.93 -2.27 0.00 0.00 179.45 177.84 1s22 h GLU 316 N 0.39 0.88 -0.47 1.90 4.39 -0.71 -2.37 114.58 118.60 1s22 h GLU 316 Ca 0.11 -0.50 -0.13 0.00 0.34 0.00 0.00 59.36 59.18 1s22 h GLU 316 Cb 0.16 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1s22 h GLU 316 CO -0.01 1.15 -0.22 0.82 -1.16 0.00 0.00 179.01 179.59 1s22 h ILE 317 N 0.70 1.27 -0.95 3.13 1.08 -1.03 -2.70 117.51 119.01 1s22 h ILE 317 Ca 0.04 -1.37 0.09 0.00 -0.39 0.00 0.00 64.86 63.23 1s22 h ILE 317 Cb 1.06 1.13 -0.07 0.00 -3.07 0.00 0.00 36.82 35.86 1s22 h ILE 317 CO 0.11 0.47 0.59 0.74 -0.69 0.00 0.00 178.15 179.37 1s22 h THR 318 N 0.83 0.98 -0.03 -0.27 2.02 -1.22 0.05 112.91 115.27 1s22 h THR 318 Ca 0.11 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.85 1s22 h THR 318 Cb 0.78 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1s22 h THR 318 CO 0.07 0.18 -0.44 0.00 0.37 0.00 0.00 175.52 175.70 1s22 h ALA 319 N 1.48 1.23 0.00 6.16 0.00 -1.12 -3.22 119.26 123.79 1s22 h ALA 319 Ca 0.44 -0.41 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 1s22 h ALA 319 Cb 0.34 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1s22 h ALA 319 CO -0.23 0.56 -1.53 -0.07 0.00 0.00 0.00 179.25 177.98 1s22 h LEU 320 N 0.05 0.00-10.37 0.00 3.38 -1.02 -3.48 115.31 103.87 1s22 h LEU 320 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 1s22 h LEU 320 Cb 0.79 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.59 1s22 h LEU 320 CO 0.06 0.89 0.16 0.00 0.09 0.00 0.00 178.44 179.64 1s22 s ALA 321 N -2.69 3.34 0.34 1.53 0.00 -0.09 -5.03 121.76 119.16 1s22 s ALA 321 Ca -0.03 -0.59 -0.26 0.00 0.00 0.00 0.00 51.96 51.08 1s22 s ALA 321 Cb 0.08 -2.62 -0.13 0.00 0.00 0.00 0.00 23.12 20.46 1s22 s ALA 321 CO 0.82 -0.60 0.97 -2.30 0.00 0.00 0.00 175.76 174.66 1s22 n PRO 322 N -2.45 1.30 0.29 0.00 -0.02 -1.26 -4.87 135.00 127.99 1s22 n PRO 322 Ca 0.03 0.46 0.17 0.00 -2.02 0.00 0.00 63.50 62.14 1s22 n PRO 322 Cb 0.56 -1.88 0.90 0.00 -0.02 0.00 0.00 33.50 33.05 1s22 n PRO 322 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1s22 h SER 323 N 1.75 0.00 -0.29 2.55 4.64 -1.96 -1.72 113.55 118.53 1s22 h SER 323 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1s22 h SER 323 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1s22 h SER 323 CO 0.59 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.94 1s22 n THR 324 N -3.40 0.37 -2.92 2.95 -2.24 -1.26 -4.95 114.28 102.84 1s22 n THR 324 Ca -0.02 -0.45 -0.41 0.00 -2.27 0.00 0.00 64.05 60.90 1s22 n THR 324 Cb 0.18 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 1s22 n THR 324 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1s22 s MET 325 N -1.63 4.46 -0.13 -0.78 0.00 -0.65 -5.00 119.30 115.57 1s22 s MET 325 Ca 0.30 1.07 -0.29 0.00 0.00 0.00 0.00 55.69 56.76 1s22 s MET 325 Cb 0.16 -3.47 -0.02 0.00 0.00 0.00 0.00 34.83 31.51 1s22 s MET 325 CO 0.23 -0.03 1.17 0.21 0.00 0.00 0.00 175.02 176.60 1s22 s LYS 326 N 1.05 4.30 -0.08 4.11 2.36 -1.26 -5.01 119.74 125.22 1s22 s LYS 326 Ca 0.42 1.58 0.04 0.00 -2.55 0.00 0.00 55.97 55.46 1s22 s LYS 326 Cb -0.19 -3.65 -0.02 0.00 -1.05 0.00 0.00 37.83 32.93 1s22 s LYS 326 CO 0.20 -0.56 -0.19 0.42 1.55 0.00 0.00 175.35 176.77 1s22 s ILE 327 N 2.84 2.57 -0.03 5.43 1.01 -1.26 -3.65 121.20 128.11 1s22 s ILE 327 Ca 0.52 -0.87 -0.00 0.00 0.00 0.00 0.00 60.65 60.30 1s22 s ILE 327 Cb -0.21 -2.00 0.03 0.00 0.01 0.00 0.00 42.46 40.29 1s22 s ILE 327 CO 0.16 0.56 0.04 -0.75 0.00 0.00 0.00 174.94 174.96 1s22 s LYS 328 N -0.15 -0.03 -0.19 2.79 2.20 -0.72 -4.93 119.74 118.71 1s22 s LYS 328 Ca -0.02 0.22 -0.05 0.00 -0.36 0.00 0.00 55.97 55.75 1s22 s LYS 328 Cb -0.14 -0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 35.91 1s22 s LYS 328 CO 0.04 -0.17 -0.01 0.42 -0.36 0.00 0.00 175.35 175.27 1s22 s ILE 329 N 1.12 3.98 -0.22 5.43 -1.09 -1.26 -2.25 121.20 126.91 1s22 s ILE 329 Ca -0.09 -0.31 -0.04 0.00 -2.23 0.00 0.00 60.65 57.98 1s22 s ILE 329 Cb -0.13 -2.79 -0.01 0.00 -1.58 0.00 0.00 42.46 37.95 1s22 s ILE 329 CO -0.03 0.45 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.46 1s22 s ILE 330 N 0.81 3.48 -0.56 2.92 1.09 0.45 -4.99 121.20 124.39 1s22 s ILE 330 Ca 0.00 -0.46 0.04 0.00 -1.10 0.00 0.00 60.65 59.13 1s22 s ILE 330 Cb -0.14 -2.58 0.16 0.00 -1.06 0.00 0.00 42.46 38.83 1s22 s ILE 330 CO 0.02 0.42 0.38 0.00 -0.10 0.00 0.00 174.94 175.66 1s22 s ALA 331 N 1.46 2.77 0.42 9.38 0.00 -1.26 -0.58 121.76 133.94 1s22 s ALA 331 Ca 0.05 -3.15 -0.26 0.00 0.00 0.00 0.00 51.96 48.60 1s22 s ALA 331 Cb -0.14 -1.95 -0.10 0.00 0.00 0.00 0.00 23.12 20.93 1s22 s ALA 331 CO -0.02 -2.05 1.38 -2.30 0.00 0.00 0.00 175.76 172.76 1s22 n PRO 332 N 2.63 2.23 0.16 0.00 -0.02 -1.26 -4.88 135.00 133.85 1s22 n PRO 332 Ca 0.19 0.79 0.13 0.00 -2.02 0.00 0.00 63.50 62.59 1s22 n PRO 332 Cb 0.38 -2.53 0.67 0.00 -0.02 0.00 0.00 33.50 32.00 1s22 n PRO 332 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1s22 h PRO 333 N 2.38 0.00 -0.49 0.52 0.13 -1.99 -1.92 132.00 130.63 1s22 h PRO 333 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1s22 h PRO 333 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1s22 h PRO 333 CO 0.61 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.53 1s22 n GLU 334 N -4.45 1.73 0.00 0.86 0.00 -1.26 -4.61 120.64 112.91 1s22 n GLU 334 Ca 0.02 -0.79 0.08 0.00 0.00 0.00 0.00 57.16 56.47 1s22 n GLU 334 Cb 0.30 -1.39 0.40 0.00 0.00 0.00 0.00 31.44 30.75 1s22 n GLU 334 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1s22 n ARG 335 N 0.13 0.18 0.30 3.44 1.85 -0.72 -0.87 116.66 120.96 1s22 n ARG 335 Ca 0.07 0.15 0.17 0.00 -1.00 0.00 0.00 57.85 57.24 1s22 n ARG 335 Cb 0.32 -1.50 0.96 0.00 -1.05 0.00 0.00 32.46 31.18 1s22 n ARG 335 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1s22 h LYS 336 N 0.00 0.00 0.00 2.89 1.57 -1.81 -0.46 116.57 118.76 1s22 h LYS 336 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s22 h LYS 336 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1s22 h LYS 336 CO 0.00 0.02 -0.09 0.66 -0.57 0.00 0.00 179.45 179.48 1s22 n TYR 337 N -3.57 0.00 -0.26 -1.35 4.01 -0.05 -4.59 117.16 111.34 1s22 n TYR 337 Ca -0.03 -0.57 -0.03 0.00 -0.16 0.00 0.00 57.90 57.11 1s22 n TYR 337 Cb 0.12 -0.09 0.08 0.00 -0.31 0.00 0.00 39.34 39.14 1s22 n TYR 337 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1s22 h SER 338 N 0.00 0.74 -0.14 7.72 0.02 -1.53 -0.03 113.55 120.33 1s22 h SER 338 Ca 0.00 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1s22 h SER 338 Cb 0.93 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 1s22 h SER 338 CO 0.00 0.51 0.00 0.58 -1.14 0.00 0.00 176.83 176.78 1s22 h VAL 339 N 0.88 0.91 -0.17 2.27 2.07 -1.85 -0.71 116.25 119.64 1s22 h VAL 339 Ca 0.29 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1s22 h VAL 339 Cb 0.02 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1s22 h VAL 339 CO -0.11 0.01 0.11 -0.25 0.02 0.00 0.00 177.57 177.35 1s22 h TRP 340 N 0.05 0.21 -0.71 1.57 7.01 -1.78 -1.94 115.95 120.36 1s22 h TRP 340 Ca 0.06 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.13 1s22 h TRP 340 Cb 0.08 -0.07 -0.06 0.00 -2.10 0.00 0.00 29.16 27.01 1s22 h TRP 340 CO -0.14 0.13 0.40 0.82 -2.79 0.00 0.00 178.44 176.86 1s22 h ILE 341 N 0.23 0.96 -0.63 2.65 2.04 -0.81 0.37 117.51 122.32 1s22 h ILE 341 Ca 0.06 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.75 1s22 h ILE 341 Cb -0.02 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 36.16 1s22 h ILE 341 CO -0.02 0.13 0.28 1.23 0.00 0.00 0.00 178.15 179.78 1s22 h GLY 342 N 0.73 0.90 1.10 5.37 0.00 -0.83 -0.30 103.07 110.04 1s22 h GLY 342 Ca 0.32 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 1s22 h GLY 342 CO -0.19 0.04 0.19 -1.33 0.00 0.00 0.00 176.54 175.25 1s22 h GLY 343 N 0.51 1.20 1.01 4.60 0.00 -0.52 -1.01 103.07 108.86 1s22 h GLY 343 Ca 0.30 -0.73 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1s22 h GLY 343 CO -0.26 0.69 0.46 0.23 0.00 0.00 0.00 176.54 177.66 1s22 h SER 344 N 1.06 0.87 0.35 0.19 0.87 -0.07 -0.51 113.55 116.32 1s22 h SER 344 Ca 0.22 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1s22 h SER 344 Cb 0.35 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1s22 h SER 344 CO -0.00 0.66 -0.17 0.40 -0.53 0.00 0.00 176.83 177.19 1s22 h ILE 345 N 1.00 0.65 -0.34 2.23 2.04 -0.94 -2.78 117.51 119.38 1s22 h ILE 345 Ca 0.26 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1s22 h ILE 345 Cb -0.06 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1s22 h ILE 345 CO -0.05 0.07 0.22 0.25 0.00 0.00 0.00 178.15 178.64 1s22 h LEU 346 N -0.69 0.38 -1.02 1.44 5.85 -0.93 -2.38 115.31 117.97 1s22 h LEU 346 Ca -0.05 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1s22 h LEU 346 Cb 0.48 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1s22 h LEU 346 CO 0.08 0.28 -0.06 0.00 -0.34 0.00 0.00 178.44 178.39 1s22 h ALA 347 N 1.13 0.99 -0.10 1.25 0.00 -1.17 -2.73 119.26 118.64 1s22 h ALA 347 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s22 h ALA 347 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1s22 h ALA 347 CO -0.03 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 1s22 n SER 348 N -3.16 3.08 -4.67 0.00 3.41 -0.99 -4.89 113.62 106.41 1s22 n SER 348 Ca 0.01 -2.00 -0.43 0.00 -0.26 0.00 0.00 58.87 56.20 1s22 n SER 348 Cb 0.40 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 1s22 n SER 348 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1s22 s LEU 349 N -1.91 4.24 0.31 1.04 2.96 -0.93 -4.89 118.68 119.50 1s22 s LEU 349 Ca 0.30 1.87 0.07 0.00 -0.22 0.00 0.00 54.13 56.15 1s22 s LEU 349 Cb 0.21 -3.54 0.82 0.00 0.50 0.00 0.00 46.19 44.17 1s22 s LEU 349 CO 0.30 -0.77 1.71 0.77 -1.32 0.00 0.00 176.35 177.04 1s22 h SER 350 N 8.34 0.50 0.25 3.68 4.64 -1.91 -0.61 113.55 128.45 1s22 h SER 350 Ca -0.31 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1s22 h SER 350 Cb 1.13 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1s22 h SER 350 CO 0.95 0.04 0.00 0.35 -0.87 0.00 0.00 176.83 177.30 1s22 n THR 351 N -4.97 0.07 1.00 2.95 -2.24 -1.26 -3.20 114.28 106.64 1s22 n THR 351 Ca 0.25 0.02 0.10 0.00 -2.27 0.00 0.00 64.05 62.15 1s22 n THR 351 Cb 0.71 -0.58 -0.09 0.00 -2.10 0.00 0.00 70.33 68.26 1s22 n THR 351 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1s22 n PHE 352 N -1.14 0.00 0.31 4.78 7.35 -0.24 -4.55 117.46 123.96 1s22 n PHE 352 Ca 0.17 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 57.05 1s22 n PHE 352 Cb 0.15 -0.01 0.90 0.00 0.35 0.00 0.00 39.48 40.88 1s22 n PHE 352 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 1s22 h GLN 353 N 0.26 0.00 -0.04 -4.13 1.08 -1.59 0.23 115.11 110.91 1s22 h GLN 353 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1s22 h GLN 353 Cb 0.53 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1s22 h GLN 353 CO 0.00 0.00 0.00 1.04 -0.95 0.00 0.00 178.83 178.92 1s22 n GLN 354 N -3.00 1.59 0.01 1.46 3.00 -1.26 -4.12 117.38 115.07 1s22 n GLN 354 Ca -0.01 -0.86 0.11 0.00 -0.01 0.00 0.00 57.00 56.23 1s22 n GLN 354 Cb 0.19 -1.46 -0.06 0.00 0.00 0.00 0.00 30.24 28.91 1s22 n GLN 354 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1s22 n MET 355 N 0.05 0.30 -1.72 -1.09 2.81 0.81 -4.94 117.12 113.34 1s22 n MET 355 Ca 0.19 -0.05 -0.41 0.00 -1.81 0.00 0.00 57.70 55.63 1s22 n MET 355 Cb 0.32 -1.55 0.01 0.00 -0.71 0.00 0.00 33.22 31.28 1s22 n MET 355 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 1s22 n TRP 356 N -1.91 2.29 -2.75 2.03 7.02 -1.25 -4.97 117.44 117.90 1s22 n TRP 356 Ca 0.01 0.49 -0.42 0.00 -1.02 0.00 0.00 57.50 56.55 1s22 n TRP 356 Cb 0.44 -2.40 -0.03 0.00 -2.42 0.00 0.00 31.31 26.90 1s22 n TRP 356 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1s22 s ILE 357 N -1.19 4.78 0.33 -0.99 1.01 -0.17 -4.91 121.20 120.06 1s22 s ILE 357 Ca 0.61 1.90 -0.03 0.00 0.00 0.00 0.00 60.65 63.12 1s22 s ILE 357 Cb -0.49 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 37.68 1s22 s ILE 357 CO 0.58 -0.06 0.58 0.42 0.00 0.00 0.00 174.94 176.47 1s22 s THR 358 N 2.50 5.04 0.36 2.92 -4.23 -1.26 -0.82 115.64 120.14 1s22 s THR 358 Ca 0.43 -0.11 0.06 0.00 -1.18 0.00 0.00 61.69 60.89 1s22 s THR 358 Cb -0.17 -3.80 0.30 0.00 1.34 0.00 0.00 72.50 70.17 1s22 s THR 358 CO 0.12 -0.48 1.94 0.50 -0.54 0.00 0.00 174.62 176.16 1s22 h LYS 359 N 1.16 0.75 -0.16 3.99 3.64 -1.43 -1.16 116.57 123.36 1s22 h LYS 359 Ca -0.48 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1s22 h LYS 359 Cb 1.20 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1s22 h LYS 359 CO 0.64 0.49 0.06 1.96 -2.27 0.00 0.00 179.45 180.34 1s22 h GLN 360 N 0.77 0.14 -0.92 1.90 4.20 -1.93 0.11 115.11 119.38 1s22 h GLN 360 Ca 0.34 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 1s22 h GLN 360 Cb 0.32 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 1s22 h GLN 360 CO -0.12 0.10 0.53 0.93 -0.67 0.00 0.00 178.83 179.60 1s22 h GLU 361 N 0.15 1.27 -0.46 1.46 5.08 -1.74 -1.58 114.58 118.77 1s22 h GLU 361 Ca 0.07 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1s22 h GLU 361 Cb 0.03 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1s22 h GLU 361 CO -0.06 0.91 0.13 -0.92 -1.00 0.00 0.00 179.01 178.07 1s22 h TYR 362 N 1.28 0.75 -0.22 4.33 3.20 -0.79 -0.26 116.97 125.26 1s22 h TYR 362 Ca 0.33 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 1s22 h TYR 362 Cb -0.01 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1s22 h TYR 362 CO 0.01 0.68 -0.06 -0.44 -1.64 0.00 0.00 178.16 176.70 1s22 h ASP 363 N 0.60 0.31 -0.06 -2.11 3.32 -0.42 0.47 116.42 118.53 1s22 h ASP 363 Ca 0.15 -0.06 -0.24 0.00 0.02 0.00 0.00 57.03 56.90 1s22 h ASP 363 Cb 0.29 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.77 1s22 h ASP 363 CO -0.00 0.42 -0.90 -0.33 -1.72 0.00 0.00 179.24 176.71 1s22 h GLU 364 N 0.32 0.74 0.00 3.56 5.08 -1.02 -3.42 114.58 119.84 1s22 h GLU 364 Ca 0.07 -0.69 -0.00 0.00 -1.00 0.00 0.00 59.36 57.74 1s22 h GLU 364 Cb 0.32 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1s22 h GLU 364 CO 0.01 1.28 -1.02 0.00 -1.00 0.00 0.00 179.01 178.29 1s22 n ALA 365 N -2.62 2.01 0.00 3.43 0.00 -0.13 -5.11 120.51 118.09 1s22 n ALA 365 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1s22 n ALA 365 Cb 0.81 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.27 1s22 n ALA 365 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s22 n GLY 366 N 2.53 -2.45 0.33 0.00 0.00 0.16 -4.55 105.19 101.21 1s22 n GLY 366 Ca -0.00 -1.61 0.16 0.00 0.00 0.00 0.00 46.02 44.57 1s22 n GLY 366 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1s22 h PRO 367 N 0.00 0.00 0.00 1.61 0.11 -1.89 -2.63 132.00 129.19 1s22 h PRO 367 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1s22 h PRO 367 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1s22 h PRO 367 CO 0.00 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.66 1s22 n SER 368 N -4.11 0.00 0.31 -2.05 3.41 -1.26 -2.44 113.62 107.48 1s22 n SER 368 Ca 0.03 0.45 0.18 0.00 -0.26 0.00 0.00 58.87 59.27 1s22 n SER 368 Cb 0.34 -0.48 0.99 0.00 -0.26 0.00 0.00 64.21 64.80 1s22 n SER 368 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1s22 h ILE 369 N 0.00 0.30 0.00 -1.33 2.10 -1.73 -2.97 117.51 113.89 1s22 h ILE 369 Ca 0.00 -0.13 -0.02 0.00 1.08 0.00 0.00 64.86 65.79 1s22 h ILE 369 Cb 0.22 1.10 -0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1s22 h ILE 369 CO 0.00 0.02 -0.10 1.62 -1.08 0.00 0.00 178.15 178.61 1s22 h VAL 370 N 0.00 0.82 0.00 2.19 3.04 -1.74 -3.51 116.25 117.04 1s22 h VAL 370 Ca -0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1s22 h VAL 370 Cb 0.09 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 1s22 h VAL 370 CO 0.00 0.10 0.00 1.41 -1.01 0.00 0.00 177.57 178.07