#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5m s ASN 3 N 0.00 0.18 -0.08 4.04 0.01 -1.26 -5.15 114.94 112.69 1a5m s ASN 3 Ca 0.00 -0.46 -0.13 0.00 -0.71 0.00 0.00 52.86 51.56 1a5m s ASN 3 Cb 0.00 0.17 0.03 0.00 0.41 0.00 0.00 41.25 41.86 1a5m s ASN 3 CO 0.00 -0.40 0.32 -0.51 -1.51 0.00 0.00 177.10 175.00 1a5m s ILE 4 N -1.93 0.03 0.54 0.60 2.07 -1.26 -5.15 121.20 116.09 1a5m s ILE 4 Ca -0.11 -0.22 -0.18 0.00 -1.41 0.00 0.00 60.65 58.73 1a5m s ILE 4 Cb -0.06 -0.53 -0.06 0.00 0.13 0.00 0.00 42.46 41.95 1a5m s ILE 4 CO -0.02 -0.12 1.05 -0.94 -1.91 0.00 0.00 174.94 173.01 1a5m s SER 5 N -0.49 6.04 0.34 4.50 1.04 -1.26 -4.89 113.70 118.98 1a5m s SER 5 Ca -0.06 1.89 0.03 0.00 0.48 0.00 0.00 55.95 58.30 1a5m s SER 5 Cb -0.04 -2.55 0.65 0.00 0.10 0.00 0.00 66.02 64.18 1a5m s SER 5 CO 0.02 -0.99 1.96 0.03 0.98 0.00 0.00 173.24 175.24 1a5m h ARG 6 N 1.02 0.84 -0.01 4.02 3.08 -2.01 -0.52 114.38 120.79 1a5m h ARG 6 Ca -0.48 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.51 1a5m h ARG 6 Cb 1.22 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.08 1a5m h ARG 6 CO 0.58 0.56 0.00 0.37 -1.07 0.00 0.00 179.97 180.41 1a5m h GLN 7 N 0.86 0.02 -0.53 0.04 5.75 -1.99 -0.42 115.11 118.84 1a5m h GLN 7 Ca 0.31 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.79 1a5m h GLN 7 Cb 0.14 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 1a5m h GLN 7 CO -0.10 0.31 0.28 0.00 -2.65 0.00 0.00 178.83 176.67 1a5m h ALA 8 N 0.70 1.50 -0.20 3.38 0.00 -1.89 -1.61 119.26 121.14 1a5m h ALA 8 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1a5m h ALA 8 Cb 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1a5m h ALA 8 CO 0.00 0.41 0.06 -0.92 0.00 0.00 0.00 179.25 178.81 1a5m h TYR 9 N 0.73 0.33 -0.62 0.00 5.03 -0.83 -2.51 116.97 119.11 1a5m h TYR 9 Ca 0.19 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.45 1a5m h TYR 9 Cb 0.04 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.19 1a5m h TYR 9 CO 0.00 0.40 0.31 0.00 -1.32 0.00 0.00 178.16 177.55 1a5m h ALA 10 N 0.89 1.39 0.00 1.82 0.00 -0.46 0.55 119.26 123.45 1a5m h ALA 10 Ca 0.07 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1a5m h ALA 10 Cb 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1a5m h ALA 10 CO -0.00 0.49 -0.27 -0.44 0.00 0.00 0.00 179.25 179.02 1a5m h ASP 11 N 0.86 0.00 0.04 0.00 5.19 -1.13 0.70 116.42 122.08 1a5m h ASP 11 Ca 0.22 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.30 1a5m h ASP 11 Cb 0.07 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.54 1a5m h ASP 11 CO -0.03 0.27 -1.79 0.23 -3.12 0.00 0.00 179.24 174.80 1a5m n MET 12 N -3.72 0.64 -0.02 3.56 2.81 -0.74 -4.68 117.12 114.98 1a5m n MET 12 Ca -0.01 0.40 0.01 0.00 -1.81 0.00 0.00 57.70 56.29 1a5m n MET 12 Cb 0.38 -1.68 0.02 0.00 -0.71 0.00 0.00 33.22 31.23 1a5m n MET 12 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1a5m n PHE 13 N -4.01 0.04 0.00 2.03 3.72 0.11 -4.95 117.46 114.40 1a5m n PHE 13 Ca -0.37 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 1a5m n PHE 13 Cb 0.85 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.38 1a5m n PHE 13 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a5m n GLY 14 N 0.01 0.17 3.75 1.37 0.00 0.24 -4.28 105.19 106.45 1a5m n GLY 14 Ca 0.02 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 1a5m n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a5m s PRO 15 N -1.85 2.73 0.28 1.61 0.04 -1.26 -4.00 135.00 132.55 1a5m s PRO 15 Ca 0.00 1.65 0.01 0.00 0.04 0.00 0.00 61.00 62.70 1a5m s PRO 15 Cb 0.00 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.62 1a5m s PRO 15 CO 0.00 -1.35 0.03 -2.37 0.04 0.00 0.00 177.00 173.35 1a5m n THR 16 N -2.11 0.00 -1.64 1.26 5.66 -1.26 -4.92 114.28 111.26 1a5m n THR 16 Ca 0.12 -1.40 -0.57 0.00 -3.05 0.00 0.00 64.05 59.16 1a5m n THR 16 Cb 0.51 0.37 -0.07 0.00 -1.55 0.00 0.00 70.33 69.58 1a5m n THR 16 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1a5m n VAL 17 N -0.66 0.12 0.00 1.08 0.31 -1.26 -1.46 118.33 116.45 1a5m n VAL 17 Ca -0.09 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1a5m n VAL 17 Cb 0.37 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 1a5m n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a5m n GLY 18 N 3.18 3.21 3.78 2.92 0.00 -0.96 -4.98 105.19 112.35 1a5m n GLY 18 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1a5m n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a5m s ASP 19 N 0.09 6.72 0.17 1.61 1.01 -0.53 -4.79 116.67 120.96 1a5m s ASP 19 Ca 0.00 2.06 0.08 0.00 0.71 0.00 0.00 52.55 55.41 1a5m s ASP 19 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1a5m s ASP 19 CO 0.00 -0.52 -0.06 -0.54 0.21 0.00 0.00 175.17 174.27 1a5m s LYS 20 N -2.49 2.21 -0.02 8.23 1.02 -1.26 -1.61 119.74 125.82 1a5m s LYS 20 Ca 0.58 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 55.39 1a5m s LYS 20 Cb -0.23 -2.25 0.02 0.00 -0.52 0.00 0.00 37.83 34.85 1a5m s LYS 20 CO 0.28 0.45 0.00 0.08 -0.92 0.00 0.00 175.35 175.24 1a5m s VAL 21 N -1.67 0.11 0.07 3.17 1.01 0.48 -4.96 120.40 118.61 1a5m s VAL 21 Ca 0.26 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 1a5m s VAL 21 Cb -0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 1a5m s VAL 21 CO 0.16 0.10 0.96 -0.60 0.00 0.00 0.00 175.10 175.72 1a5m s ARG 22 N 0.67 4.64 -0.49 2.72 3.52 -1.26 -1.24 118.95 127.52 1a5m s ARG 22 Ca -0.06 1.43 -0.26 0.00 -0.13 0.00 0.00 55.73 56.70 1a5m s ARG 22 Cb -0.09 -3.41 0.03 0.00 -1.56 0.00 0.00 34.95 29.92 1a5m s ARG 22 CO -0.01 0.12 1.00 -0.51 -0.81 0.00 0.00 175.30 175.09 1a5m s LEU 23 N 0.36 3.89 0.00 -0.88 1.43 -0.54 -4.74 118.68 118.19 1a5m s LEU 23 Ca 0.48 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 1a5m s LEU 23 Cb -0.22 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1a5m s LEU 23 CO 0.29 -1.16 0.00 0.00 0.23 0.00 0.00 176.35 175.71 1a5m n ALA 24 N 7.47 0.00 -1.42 4.21 0.00 -0.08 -1.67 120.51 129.02 1a5m n ALA 24 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.41 1a5m n ALA 24 Cb 0.49 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.13 1a5m n ALA 24 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a5m n ASP 25 N 2.77 2.84 -3.79 0.00 5.75 -1.26 -4.83 116.55 118.03 1a5m n ASP 25 Ca 0.00 -3.76 -0.14 0.00 -0.01 0.00 0.00 54.79 50.88 1a5m n ASP 25 Cb 0.00 -0.69 0.07 0.00 -1.03 0.00 0.00 41.12 39.47 1a5m n ASP 25 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1a5m n THR 26 N -1.13 0.00 0.19 2.12 -2.24 -0.67 -4.79 114.28 107.77 1a5m n THR 26 Ca 0.40 -1.14 0.11 0.00 -2.27 0.00 0.00 64.05 61.15 1a5m n THR 26 Cb 1.18 -0.91 0.27 0.00 -2.10 0.00 0.00 70.33 68.78 1a5m n THR 26 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a5m n GLU 27 N -2.07 2.42 -2.98 -0.78 -0.58 -1.26 -4.67 120.64 110.72 1a5m n GLU 27 Ca 0.11 -2.19 -0.40 0.00 -0.42 0.00 0.00 57.16 54.26 1a5m n GLU 27 Cb 0.39 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.72 1a5m n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1a5m s LEU 28 N -1.21 4.41 -0.08 -4.62 1.43 -1.26 -5.01 118.68 112.34 1a5m s LEU 28 Ca 0.41 1.39 0.02 0.00 -1.03 0.00 0.00 54.13 54.92 1a5m s LEU 28 Cb 0.22 -3.21 0.01 0.00 0.03 0.00 0.00 46.19 43.24 1a5m s LEU 28 CO 0.30 -0.04 -0.14 0.26 0.23 0.00 0.00 176.35 176.96 1a5m s TRP 29 N 0.25 1.72 0.09 0.29 0.52 -1.26 -1.47 118.94 119.07 1a5m s TRP 29 Ca 0.39 -0.69 0.03 0.00 0.02 0.00 0.00 56.10 55.85 1a5m s TRP 29 Cb -0.20 -1.24 -0.04 0.00 -1.15 0.00 0.00 33.47 30.85 1a5m s TRP 29 CO 0.22 -0.34 0.09 0.96 0.02 0.00 0.00 176.95 177.89 1a5m s ILE 30 N 0.71 4.56 -0.05 2.03 -4.36 -0.37 -0.80 121.20 122.91 1a5m s ILE 30 Ca -0.13 -0.78 0.05 0.00 -0.26 0.00 0.00 60.65 59.52 1a5m s ILE 30 Cb -0.16 -3.21 -0.00 0.00 1.25 0.00 0.00 42.46 40.34 1a5m s ILE 30 CO 0.03 0.11 -0.19 -0.70 0.24 0.00 0.00 174.94 174.42 1a5m s GLU 31 N -2.46 2.08 -0.11 0.37 2.12 -1.26 -0.39 118.70 119.05 1a5m s GLU 31 Ca 0.30 -0.69 -0.29 0.00 0.36 0.00 0.00 54.97 54.64 1a5m s GLU 31 Cb -0.12 -1.76 -0.05 0.00 0.26 0.00 0.00 34.13 32.47 1a5m s GLU 31 CO 0.22 0.25 1.72 0.08 -0.54 0.00 0.00 175.26 176.99 1a5m s VAL 32 N 0.08 3.52 0.08 3.70 1.01 -0.64 -4.88 120.40 123.26 1a5m s VAL 32 Ca -0.06 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1a5m s VAL 32 Cb -0.13 -3.46 -0.24 0.00 0.00 0.00 0.00 36.38 32.55 1a5m s VAL 32 CO 0.03 -0.13 1.13 -0.33 0.00 0.00 0.00 175.10 175.80 1a5m h GLU 33 N 10.49 0.10 -2.70 2.72 5.08 -1.53 -2.54 114.58 126.20 1a5m h GLU 33 Ca -0.39 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 57.75 1a5m h GLU 33 Cb 1.18 0.06 -0.16 0.00 0.50 0.00 0.00 28.75 30.33 1a5m h GLU 33 CO 0.97 1.02 0.09 0.34 -1.00 0.00 0.00 179.01 180.42 1a5m s ASP 34 N -6.79 -0.49 -0.08 1.42 2.15 -1.25 -4.93 116.67 106.70 1a5m s ASP 34 Ca -0.02 0.22 -0.00 0.00 0.43 0.00 0.00 52.55 53.18 1a5m s ASP 34 Cb 0.09 0.52 0.03 0.00 -0.30 0.00 0.00 42.92 43.25 1a5m s ASP 34 CO 0.84 -0.75 -0.03 -0.62 -0.17 0.00 0.00 175.17 174.44 1a5m s ASP 35 N -1.99 1.64 0.00 -0.34 -1.08 -1.26 -0.57 116.67 113.07 1a5m s ASP 35 Ca -0.05 -0.16 0.20 0.00 -0.52 0.00 0.00 52.55 52.02 1a5m s ASP 35 Cb -0.01 -0.57 0.83 0.00 -1.46 0.00 0.00 42.92 41.71 1a5m s ASP 35 CO -0.02 -0.14 1.58 0.18 0.52 0.00 0.00 175.17 177.30 1a5m n LEU 36 N 4.83 1.23 -4.92 -1.34 4.32 -0.63 -4.94 117.00 115.55 1a5m n LEU 36 Ca -0.13 -0.52 -0.26 0.00 -0.02 0.00 0.00 56.01 55.08 1a5m n LEU 36 Cb 0.50 -0.08 0.06 0.00 -1.62 0.00 0.00 43.42 42.28 1a5m n LEU 36 CO 0.15 0.26 0.61 0.28 -1.22 0.00 0.00 177.39 177.47 1a5m s THR 37 N -1.84 2.78 -0.33 -5.08 -1.32 -1.26 -4.51 115.64 104.08 1a5m s THR 37 Ca 0.31 -0.12 -0.03 0.00 -1.21 0.00 0.00 61.69 60.64 1a5m s THR 37 Cb 0.16 -3.18 0.06 0.00 -1.51 0.00 0.00 72.50 68.04 1a5m s THR 37 CO 0.25 -0.19 0.06 -0.89 -2.21 0.00 0.00 174.62 171.64 1a5m s THR 38 N -3.18 3.17 -0.31 5.08 2.01 -1.26 -5.05 115.64 116.08 1a5m s THR 38 Ca 0.58 -1.51 -0.41 0.00 0.31 0.00 0.00 61.69 60.67 1a5m s THR 38 Cb -0.11 -2.90 -0.16 0.00 0.01 0.00 0.00 72.50 69.34 1a5m s THR 38 CO 0.45 -0.26 1.79 -1.22 -0.69 0.00 0.00 174.62 174.70 1a5m n TYR 39 N 4.64 1.97 0.00 4.92 4.01 -1.26 -0.61 117.16 130.83 1a5m n TYR 39 Ca -0.10 0.57 0.00 0.00 -0.16 0.00 0.00 57.90 58.21 1a5m n TYR 39 Cb 0.43 -2.44 0.00 0.00 -0.31 0.00 0.00 39.34 37.02 1a5m n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a5m n GLY 40 N 4.51 2.72 1.05 2.72 0.00 -1.26 -4.93 105.19 109.99 1a5m n GLY 40 Ca 0.29 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.39 1a5m n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a5m n GLU 41 N -1.10 3.25 -2.01 1.61 -0.58 0.22 -5.02 120.64 117.02 1a5m n GLU 41 Ca 0.00 -2.82 -0.40 0.00 -0.42 0.00 0.00 57.16 53.52 1a5m n GLU 41 Cb 0.00 -1.85 -0.01 0.00 -0.57 0.00 0.00 31.44 29.01 1a5m n GLU 41 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1a5m s GLU 42 N -2.59 4.12 -0.06 3.49 8.01 -1.26 -4.87 118.70 125.54 1a5m s GLU 42 Ca 0.43 2.28 -0.16 0.00 0.01 0.00 0.00 54.97 57.53 1a5m s GLU 42 Cb 0.33 -2.91 -0.05 0.00 -4.31 0.00 0.00 34.13 27.19 1a5m s GLU 42 CO 0.11 -0.41 0.43 0.14 0.01 0.00 0.00 175.26 175.54 1a5m s VAL 43 N -1.18 5.11 0.01 2.63 -7.23 -1.26 -4.94 120.40 113.53 1a5m s VAL 43 Ca 0.53 0.86 0.01 0.00 -1.81 0.00 0.00 61.98 61.57 1a5m s VAL 43 Cb -0.41 -3.75 -0.01 0.00 0.56 0.00 0.00 36.38 32.77 1a5m s VAL 43 CO 0.54 0.46 -0.03 -0.75 -0.31 0.00 0.00 175.10 175.01 1a5m s LYS 44 N -0.28 0.27 0.05 4.82 2.20 -1.26 -4.74 119.74 120.80 1a5m s LYS 44 Ca 0.24 -0.28 0.04 0.00 -0.36 0.00 0.00 55.97 55.61 1a5m s LYS 44 Cb -0.16 -0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 35.97 1a5m s LYS 44 CO 0.11 0.03 -0.05 0.12 -0.36 0.00 0.00 175.35 175.21 1a5m s PHE 45 N -0.51 2.91 0.00 4.03 5.36 -1.26 -1.39 117.98 127.11 1a5m s PHE 45 Ca -0.04 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 55.89 1a5m s PHE 45 Cb -0.04 -1.56 0.00 0.00 -0.34 0.00 0.00 43.02 41.08 1a5m s PHE 45 CO -0.00 0.42 0.00 0.41 -1.46 0.00 0.00 175.22 174.59 1a5m n GLY 46 N 1.09 0.49 3.65 13.12 0.00 -1.26 -4.92 105.19 117.36 1a5m n GLY 46 Ca -0.14 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1a5m n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a5m s GLY 47 N 0.00 1.40 -0.54 -0.02 0.00 -1.26 -2.22 107.32 104.67 1a5m s GLY 47 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1a5m s GLY 47 CO 0.00 3.19 0.00 0.61 0.00 0.00 0.00 173.10 176.90 1a5m n GLY 48 N 4.42 0.64 0.00 0.20 0.00 -1.26 -5.04 105.19 104.16 1a5m n GLY 48 Ca 0.19 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1a5m n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a5m n LYS 49 N -2.54 3.04 0.04 1.61 4.76 -0.94 -5.06 118.16 119.06 1a5m n LYS 49 Ca -0.06 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.17 1a5m n LYS 49 Cb 0.26 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.31 1a5m n LYS 49 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1a5m h VAL 50 N 0.00 1.27 -0.41 -0.18 2.07 -1.54 -3.42 116.25 114.04 1a5m h VAL 50 Ca 0.00 -2.48 -0.51 0.00 0.82 0.00 0.00 66.70 64.53 1a5m h VAL 50 Cb 0.00 2.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.70 1a5m h VAL 50 CO 0.00 0.72 1.74 -0.38 0.02 0.00 0.00 177.57 179.67 1a5m n ILE 51 N -4.00 2.45 -3.98 4.57 5.41 -0.66 -0.72 119.36 122.42 1a5m n ILE 51 Ca -0.19 -2.44 -0.09 0.00 1.00 0.00 0.00 62.75 61.03 1a5m n ILE 51 Cb 0.88 -2.27 -0.11 0.00 -0.71 0.00 0.00 39.64 37.42 1a5m n ILE 51 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1a5m s ARG 52 N 5.42 0.34 -0.15 0.38 0.52 -1.26 -4.84 118.95 119.36 1a5m s ARG 52 Ca 0.61 -0.65 -0.40 0.00 -0.52 0.00 0.00 55.73 54.77 1a5m s ARG 52 Cb 0.05 0.12 -0.19 0.00 0.52 0.00 0.00 34.95 35.45 1a5m s ARG 52 CO 0.10 -0.06 1.16 -3.47 0.02 0.00 0.00 175.30 173.06 1a5m n ASP 53 N 1.47 0.36 0.00 0.23 2.03 -1.26 -0.54 116.55 118.85 1a5m n ASP 53 Ca -0.23 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.17 1a5m n ASP 53 Cb 0.56 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 1a5m n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a5m n GLY 54 N 2.17 2.82 0.00 0.27 0.00 -0.49 -4.85 105.19 105.12 1a5m n GLY 54 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1a5m n GLY 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1a5m n MET 55 N -1.97 0.00 -0.01 1.61 2.81 0.30 -4.81 117.12 115.06 1a5m n MET 55 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.95 1a5m n MET 55 Cb 0.00 0.00 0.36 0.00 -0.71 0.00 0.00 33.22 32.87 1a5m n MET 55 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a5m n GLY 56 N 4.67 -0.93 3.07 3.03 0.00 0.10 -4.43 105.19 110.70 1a5m n GLY 56 Ca 0.00 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1a5m n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a5m s GLN 57 N -1.99 1.76 0.02 1.61 0.74 -1.15 -3.69 119.66 116.97 1a5m s GLN 57 Ca 0.19 -0.50 0.00 0.00 0.05 0.00 0.00 55.36 55.10 1a5m s GLN 57 Cb 0.09 -1.47 0.00 0.00 1.10 0.00 0.00 33.01 32.73 1a5m s GLN 57 CO 0.15 0.12 0.03 0.41 -0.55 0.00 0.00 175.29 175.44 1a5m n GLY 58 N 3.52 1.20 0.93 2.59 0.00 0.10 -1.39 105.19 112.14 1a5m n GLY 58 Ca -0.21 -2.02 0.09 0.00 0.00 0.00 0.00 46.02 43.88 1a5m n GLY 58 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a5m n GLN 59 N -1.05 2.28 -1.63 1.61 1.13 -1.26 -4.21 117.38 114.25 1a5m n GLN 59 Ca 0.00 -2.08 -0.33 0.00 -1.94 0.00 0.00 57.00 52.65 1a5m n GLN 59 Cb 0.02 -1.41 0.06 0.00 0.11 0.00 0.00 30.24 29.02 1a5m n GLN 59 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1a5m s MET 60 N -1.24 2.54 0.79 -1.09 0.23 -1.26 -5.00 119.30 114.27 1a5m s MET 60 Ca 0.32 1.51 -0.12 0.00 -1.03 0.00 0.00 55.69 56.37 1a5m s MET 60 Cb 0.18 -1.91 0.06 0.00 -1.53 0.00 0.00 34.83 31.64 1a5m s MET 60 CO 0.25 -1.47 1.10 -0.51 -2.03 0.00 0.00 175.02 172.36 1a5m s LEU 61 N -5.00 2.62 0.31 0.18 1.43 -1.26 -4.50 118.68 112.46 1a5m s LEU 61 Ca 0.69 1.22 0.08 0.00 -1.03 0.00 0.00 54.13 55.10 1a5m s LEU 61 Cb -0.23 -3.85 0.84 0.00 0.03 0.00 0.00 46.19 42.98 1a5m s LEU 61 CO 0.43 -1.87 1.73 0.00 0.23 0.00 0.00 176.35 176.87 1a5m h ALA 62 N -1.02 1.72 0.00 4.21 0.00 -1.96 0.87 119.26 123.09 1a5m h ALA 62 Ca -0.47 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1a5m h ALA 62 Cb 1.27 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1a5m h ALA 62 CO 0.61 -0.26 -0.08 0.00 0.00 0.00 0.00 179.25 179.52 1a5m h ALA 63 N 1.72 1.29 -0.65 0.00 0.00 -2.00 -2.81 119.26 116.81 1a5m h ALA 63 Ca 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1a5m h ALA 63 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1a5m h ALA 63 CO -0.47 0.10 0.00 -0.25 0.00 0.00 0.00 179.25 178.62 1a5m n ASP 64 N -3.60 4.14 -4.01 0.00 8.00 0.30 -4.96 116.55 116.41 1a5m n ASP 64 Ca -0.02 -2.18 -0.09 0.00 0.71 0.00 0.00 54.79 53.21 1a5m n ASP 64 Cb 0.19 -0.50 -0.08 0.00 -0.02 0.00 0.00 41.12 40.71 1a5m n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a5m s VAL 66 N -3.97 4.70 0.03 0.00 -7.23 -1.01 -4.90 120.40 108.03 1a5m s VAL 66 Ca 0.16 0.89 0.03 0.00 -1.81 0.00 0.00 61.98 61.25 1a5m s VAL 66 Cb 0.05 -3.86 -0.25 0.00 0.56 0.00 0.00 36.38 32.88 1a5m s VAL 66 CO -0.03 -1.13 0.95 0.44 -0.31 0.00 0.00 175.10 175.02 1a5m h ASP 67 N -0.27 0.19 -3.73 4.85 3.32 -1.43 -3.32 116.42 116.03 1a5m h ASP 67 Ca -0.44 -0.26 -0.22 0.00 0.02 0.00 0.00 57.03 56.13 1a5m h ASP 67 Cb 1.19 -0.06 -0.28 0.00 0.22 0.00 0.00 39.33 40.40 1a5m h ASP 67 CO 0.62 1.22 -0.64 -0.22 -1.72 0.00 0.00 179.24 178.50 1a5m s LEU 68 N -6.71 1.65 -0.05 1.55 2.96 -0.62 -0.05 118.68 117.41 1a5m s LEU 68 Ca -0.05 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1a5m s LEU 68 Cb 0.08 0.24 0.01 0.00 0.50 0.00 0.00 46.19 47.02 1a5m s LEU 68 CO 0.84 -0.04 -0.10 0.54 -1.32 0.00 0.00 176.35 176.28 1a5m s VAL 69 N 0.14 0.89 -0.42 1.68 0.11 -0.66 -0.59 120.40 121.55 1a5m s VAL 69 Ca -0.01 -0.37 -0.11 0.00 -2.93 0.00 0.00 61.98 58.56 1a5m s VAL 69 Cb -0.02 -0.82 0.06 0.00 -1.53 0.00 0.00 36.38 34.07 1a5m s VAL 69 CO -0.00 0.29 0.28 -0.76 -3.33 0.00 0.00 175.10 171.57 1a5m s LEU 70 N 0.53 5.14 0.20 2.54 1.02 -0.14 -1.41 118.68 126.56 1a5m s LEU 70 Ca -0.10 -1.31 -0.30 0.00 0.02 0.00 0.00 54.13 52.44 1a5m s LEU 70 Cb -0.13 -2.04 -0.08 0.00 0.02 0.00 0.00 46.19 43.96 1a5m s LEU 70 CO 0.02 -0.52 0.97 0.42 0.02 0.00 0.00 176.35 177.25 1a5m s THR 71 N 1.51 4.16 -1.39 5.49 -4.23 -0.62 -1.38 115.64 119.18 1a5m s THR 71 Ca 0.03 2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 62.55 1a5m s THR 71 Cb -0.22 -4.29 0.01 0.00 1.34 0.00 0.00 72.50 69.34 1a5m s THR 71 CO 0.05 0.42 0.50 0.59 -0.54 0.00 0.00 174.62 175.64 1a5m n ASN 72 N 1.93 -0.65 -4.85 3.99 3.02 -1.26 -1.07 115.26 116.38 1a5m n ASN 72 Ca -0.00 -0.96 -0.33 0.00 -0.03 0.00 0.00 54.58 53.26 1a5m n ASN 72 Cb 0.47 -3.31 -0.06 0.00 -0.61 0.00 0.00 39.78 36.27 1a5m n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a5m s ALA 73 N -3.86 3.42 -0.48 5.41 0.00 -0.08 -3.12 121.76 123.05 1a5m s ALA 73 Ca 0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.86 1a5m s ALA 73 Cb -0.02 -2.68 0.12 0.00 0.00 0.00 0.00 23.12 20.55 1a5m s ALA 73 CO 0.87 0.39 0.37 -1.17 0.00 0.00 0.00 175.76 176.22 1a5m s LEU 74 N -2.65 5.77 0.09 0.00 2.96 -0.90 -0.98 118.68 122.97 1a5m s LEU 74 Ca 0.49 -1.86 -0.30 0.00 -0.22 0.00 0.00 54.13 52.23 1a5m s LEU 74 Cb -0.12 -2.05 -0.06 0.00 0.50 0.00 0.00 46.19 44.46 1a5m s LEU 74 CO 0.19 -0.72 1.06 -0.63 -1.32 0.00 0.00 176.35 174.93 1a5m s ILE 75 N 1.41 4.29 -0.28 6.68 1.01 0.99 -0.96 121.20 134.34 1a5m s ILE 75 Ca 0.05 1.79 0.01 0.00 0.00 0.00 0.00 60.65 62.50 1a5m s ILE 75 Cb -0.27 -4.15 0.08 0.00 0.01 0.00 0.00 42.46 38.14 1a5m s ILE 75 CO 0.00 0.22 0.02 -0.69 0.00 0.00 0.00 174.94 174.50 1a5m s VAL 76 N 0.41 1.47 0.22 2.92 1.01 -0.93 -1.85 120.40 123.65 1a5m s VAL 76 Ca 0.52 -1.52 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 1a5m s VAL 76 Cb -0.26 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1a5m s VAL 76 CO 0.31 -0.40 0.19 -0.62 0.00 0.00 0.00 175.10 174.57 1a5m s ASP 77 N 1.36 0.28 0.60 3.32 2.15 -0.65 -4.58 116.67 119.15 1a5m s ASP 77 Ca 0.03 -1.38 0.31 0.00 0.43 0.00 0.00 52.55 51.95 1a5m s ASP 77 Cb -0.18 0.42 1.85 0.00 -0.30 0.00 0.00 42.92 44.70 1a5m s ASP 77 CO -0.12 -0.90 2.21 1.12 -0.17 0.00 0.00 175.17 177.30 1a5m h HIS 78 N 2.53 0.00 0.00 -5.34 2.07 -1.93 -2.50 115.15 109.97 1a5m h HIS 78 Ca -0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 1a5m h HIS 78 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 1a5m h HIS 78 CO 0.50 0.00 -0.90 -2.67 -3.07 0.00 0.00 177.93 171.79 1a5m n TRP 79 N -3.70 0.21 0.00 6.12 4.27 -1.26 -4.92 117.44 118.16 1a5m n TRP 79 Ca -0.01 0.06 0.00 0.00 -3.89 0.00 0.00 57.50 53.66 1a5m n TRP 79 Cb 0.17 -0.37 0.00 0.00 -1.36 0.00 0.00 31.31 29.75 1a5m n TRP 79 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1a5m n GLY 80 N 1.40 1.46 2.85 -1.67 0.00 -0.94 -5.06 105.19 103.23 1a5m n GLY 80 Ca 0.03 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1a5m n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5m s ILE 81 N -2.00 1.96 0.14 -0.61 1.01 -1.26 -1.64 121.20 118.80 1a5m s ILE 81 Ca 0.00 -2.77 0.06 0.00 0.00 0.00 0.00 60.65 57.94 1a5m s ILE 81 Cb 0.00 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1a5m s ILE 81 CO 0.00 -0.81 -0.13 0.68 0.00 0.00 0.00 174.94 174.68 1a5m s VAL 82 N 0.24 1.35 -0.13 2.92 -7.23 -0.77 -1.23 120.40 115.54 1a5m s VAL 82 Ca 0.16 -1.84 -0.14 0.00 -1.81 0.00 0.00 61.98 58.35 1a5m s VAL 82 Cb -0.24 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 1a5m s VAL 82 CO -0.03 -0.50 0.32 -0.75 -0.31 0.00 0.00 175.10 173.84 1a5m s LYS 83 N -2.99 4.18 -0.08 4.82 2.47 0.26 -0.00 119.74 128.40 1a5m s LYS 83 Ca 0.12 0.17 -0.32 0.00 -1.56 0.00 0.00 55.97 54.37 1a5m s LYS 83 Cb -0.03 -3.39 0.14 0.00 -1.46 0.00 0.00 37.83 33.09 1a5m s LYS 83 CO 0.03 0.31 1.34 0.00 0.16 0.00 0.00 175.35 177.19 1a5m s ALA 84 N 0.23 -2.32 0.15 3.13 0.00 -0.16 -1.60 121.76 121.19 1a5m s ALA 84 Ca 0.19 0.96 -0.09 0.00 0.00 0.00 0.00 51.96 53.02 1a5m s ALA 84 Cb -0.14 0.21 -0.06 0.00 0.00 0.00 0.00 23.12 23.13 1a5m s ALA 84 CO 0.06 -0.98 0.47 -0.51 0.00 0.00 0.00 175.76 174.80 1a5m s ASP 85 N -2.84 6.63 -0.13 0.00 1.01 -0.51 -0.90 116.67 119.93 1a5m s ASP 85 Ca 0.14 0.84 0.02 0.00 0.71 0.00 0.00 52.55 54.25 1a5m s ASP 85 Cb 0.05 -2.19 -0.00 0.00 1.01 0.00 0.00 42.92 41.79 1a5m s ASP 85 CO -0.05 0.05 -0.18 -0.63 0.21 0.00 0.00 175.17 174.57 1a5m s ILE 86 N -1.60 2.49 -0.12 0.77 1.01 -0.48 -1.42 121.20 121.85 1a5m s ILE 86 Ca 0.40 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 1a5m s ILE 86 Cb -0.13 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1a5m s ILE 86 CO 0.21 0.53 0.07 -0.83 0.00 0.00 0.00 174.94 174.93 1a5m s GLY 87 N 0.58 1.99 -0.07 6.18 0.00 0.40 -0.97 107.32 115.43 1a5m s GLY 87 Ca -0.11 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 43.91 1a5m s GLY 87 CO 0.03 -0.33 -0.11 0.14 0.00 0.00 0.00 173.10 172.84 1a5m s VAL 88 N -0.62 1.09 -0.02 1.40 1.01 0.24 -0.48 120.40 123.01 1a5m s VAL 88 Ca 0.11 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 1a5m s VAL 88 Cb -0.12 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1a5m s VAL 88 CO 0.02 0.35 0.05 -0.75 0.00 0.00 0.00 175.10 174.78 1a5m s LYS 89 N 0.89 0.02 -1.54 2.72 2.20 -0.18 -1.37 119.74 122.48 1a5m s LYS 89 Ca -0.10 0.14 -0.04 0.00 -0.36 0.00 0.00 55.97 55.61 1a5m s LYS 89 Cb -0.15 -0.10 0.01 0.00 -1.51 0.00 0.00 37.83 36.09 1a5m s LYS 89 CO 0.01 -0.08 0.40 -0.25 -0.36 0.00 0.00 175.35 175.07 1a5m n ASP 90 N 3.59 -5.63 0.00 1.43 8.00 -1.26 -1.57 116.55 121.12 1a5m n ASP 90 Ca -0.19 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.11 1a5m n ASP 90 Cb 0.55 -4.60 0.00 0.00 -0.02 0.00 0.00 41.12 37.05 1a5m n ASP 90 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5m n GLY 91 N -1.31 0.76 3.38 0.44 0.00 -1.26 -5.01 105.19 102.20 1a5m n GLY 91 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1a5m n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5m s ARG 92 N -0.16 1.43 -0.20 1.61 0.52 -0.61 -0.49 118.95 121.05 1a5m s ARG 92 Ca 0.00 -1.61 -0.29 0.00 -0.52 0.00 0.00 55.73 53.31 1a5m s ARG 92 Cb 0.00 -1.36 -0.03 0.00 0.52 0.00 0.00 34.95 34.08 1a5m s ARG 92 CO 0.00 0.25 1.64 0.42 0.02 0.00 0.00 175.30 177.63 1a5m s ILE 93 N -2.65 3.65 -0.14 1.52 1.01 0.10 -1.01 121.20 123.69 1a5m s ILE 93 Ca 0.23 0.74 -0.17 0.00 0.00 0.00 0.00 60.65 61.45 1a5m s ILE 93 Cb -0.03 -3.64 -0.15 0.00 0.01 0.00 0.00 42.46 38.65 1a5m s ILE 93 CO 0.09 -0.25 0.34 0.15 0.00 0.00 0.00 174.94 175.27 1a5m h PHE 94 N 10.72 0.00 -2.88 3.97 3.57 -1.07 0.22 116.94 131.47 1a5m h PHE 94 Ca -0.35 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.17 1a5m h PHE 94 Cb 1.16 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.79 1a5m h PHE 94 CO 0.91 0.69 0.26 0.00 -2.23 0.00 0.00 178.31 177.94 1a5m s ALA 95 N -2.40 -1.58 -0.26 2.41 0.00 -1.11 -4.76 121.76 114.05 1a5m s ALA 95 Ca -0.15 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.26 1a5m s ALA 95 Cb 0.00 0.81 0.07 0.00 0.00 0.00 0.00 23.12 24.01 1a5m s ALA 95 CO 0.42 -0.80 -0.02 0.42 0.00 0.00 0.00 175.76 175.78 1a5m s ILE 96 N -3.68 1.59 0.00 0.00 1.01 -1.26 -0.45 121.20 118.41 1a5m s ILE 96 Ca 0.03 -1.46 0.00 0.00 0.00 0.00 0.00 60.65 59.22 1a5m s ILE 96 Cb -0.02 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.50 1a5m s ILE 96 CO -0.09 -0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.19 1a5m n GLY 97 N 4.61 1.34 3.14 6.18 0.00 -0.51 -4.97 105.19 114.99 1a5m n GLY 97 Ca -0.08 0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1a5m n GLY 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a5m s LYS 98 N 3.91 2.67 0.42 1.61 2.36 -1.26 -1.43 119.74 128.03 1a5m s LYS 98 Ca 0.00 -1.07 -0.07 0.00 -2.55 0.00 0.00 55.97 52.28 1a5m s LYS 98 Cb 0.00 -2.88 -0.05 0.00 -1.05 0.00 0.00 37.83 33.85 1a5m s LYS 98 CO 0.00 -0.42 0.73 0.00 1.55 0.00 0.00 175.35 177.21 1a5m s ALA 99 N 1.25 3.43 0.00 3.13 0.00 -1.26 0.00 121.76 128.32 1a5m s ALA 99 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1a5m s ALA 99 Cb -0.17 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.39 1a5m s ALA 99 CO -0.06 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1a5m n GLY 100 N -1.74 0.02 3.16 0.00 0.00 -0.32 -4.69 105.19 101.62 1a5m n GLY 100 Ca 0.01 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 1a5m n GLY 100 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a5m s ASN 101 N -4.00 4.56 0.48 1.61 2.47 -1.24 -1.35 114.94 117.47 1a5m s ASN 101 Ca 0.00 -1.16 0.32 0.00 0.42 0.00 0.00 52.86 52.44 1a5m s ASN 101 Cb 0.00 -1.65 1.74 0.00 -1.45 0.00 0.00 41.25 39.89 1a5m s ASN 101 CO 0.00 -0.20 1.98 -0.65 -3.72 0.00 0.00 177.10 174.51 1a5m h PRO 102 N 7.95 0.00 -0.18 0.43 0.11 -1.92 0.72 132.00 139.10 1a5m h PRO 102 Ca -0.25 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.76 1a5m h PRO 102 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1a5m h PRO 102 CO 0.53 0.00 -0.33 -0.44 -0.21 0.00 0.00 178.00 177.56 1a5m h ASP 103 N 0.00 0.38 0.00 -2.05 3.32 -1.94 -3.38 116.42 112.76 1a5m h ASP 103 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1a5m h ASP 103 Cb 0.02 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1a5m h ASP 103 CO 0.00 0.69 -0.05 2.30 -1.72 0.00 0.00 179.24 180.46 1a5m n ILE 104 N -4.08 0.00 -4.21 0.35 -5.35 -0.91 -5.08 119.36 100.08 1a5m n ILE 104 Ca -0.01 -0.20 -0.30 0.00 -0.27 0.00 0.00 62.75 61.96 1a5m n ILE 104 Cb 0.44 0.91 -0.09 0.00 -1.74 0.00 0.00 39.64 39.16 1a5m n ILE 104 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1a5m s GLN 105 N -0.51 2.35 0.37 6.28 -0.21 0.20 -5.07 119.66 123.06 1a5m s GLN 105 Ca 0.00 -0.91 -0.07 0.00 0.02 0.00 0.00 55.36 54.40 1a5m s GLN 105 Cb 0.00 -2.43 -0.05 0.00 1.00 0.00 0.00 33.01 31.53 1a5m s GLN 105 CO 0.00 0.53 0.68 -1.25 -2.12 0.00 0.00 175.29 173.13 1a5m s PRO 106 N -2.17 3.67 -1.27 2.91 0.04 -1.26 -4.44 135.00 132.47 1a5m s PRO 106 Ca 0.23 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1a5m s PRO 106 Cb -0.11 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1a5m s PRO 106 CO 0.15 0.04 0.00 0.09 0.04 0.00 0.00 177.00 177.32 1a5m n ASN 107 N -1.36 -4.39 -4.66 6.66 4.13 -1.26 -4.93 115.26 109.45 1a5m n ASN 107 Ca 0.00 0.16 -0.43 0.00 1.68 0.00 0.00 54.58 55.99 1a5m n ASN 107 Cb 0.54 -3.73 -0.02 0.00 -1.54 0.00 0.00 39.78 35.03 1a5m n ASN 107 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1a5m s VAL 108 N -2.69 4.20 -0.10 2.41 1.01 -1.26 -4.53 120.40 119.43 1a5m s VAL 108 Ca 0.00 1.44 0.12 0.00 0.00 0.00 0.00 61.98 63.54 1a5m s VAL 108 Cb 0.00 -3.95 -0.18 0.00 0.00 0.00 0.00 36.38 32.26 1a5m s VAL 108 CO 0.00 -0.14 0.30 0.35 0.00 0.00 0.00 175.10 175.61 1a5m n THR 109 N 5.43 0.00 -3.93 3.92 -2.24 0.10 -4.84 114.28 112.72 1a5m n THR 109 Ca 0.14 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.35 1a5m n THR 109 Cb 0.45 0.35 -0.14 0.00 -2.10 0.00 0.00 70.33 68.88 1a5m n THR 109 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1a5m s ILE 110 N -2.72 2.26 0.14 2.28 1.01 -0.73 -4.92 121.20 118.51 1a5m s ILE 110 Ca -0.03 -2.81 -0.31 0.00 0.00 0.00 0.00 60.65 57.50 1a5m s ILE 110 Cb 0.08 -2.61 -0.08 0.00 0.01 0.00 0.00 42.46 39.86 1a5m s ILE 110 CO 0.50 -0.74 1.37 -2.16 0.00 0.00 0.00 174.94 173.91 1a5m s PRO 111 N 0.28 4.34 -0.17 2.79 0.04 -1.26 -1.17 135.00 139.85 1a5m s PRO 111 Ca 0.15 2.07 -0.06 0.00 0.04 0.00 0.00 61.00 63.20 1a5m s PRO 111 Cb -0.23 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 1a5m s PRO 111 CO -0.04 -0.39 0.03 0.42 0.04 0.00 0.00 177.00 177.06 1a5m s ILE 112 N 0.85 4.48 0.00 0.56 1.01 -0.46 -2.41 121.20 125.22 1a5m s ILE 112 Ca 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.13 1a5m s ILE 112 Cb -0.37 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1a5m s ILE 112 CO 0.32 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.36 1a5m n GLY 113 N 3.42 4.26 0.31 6.18 0.00 -1.26 0.00 105.19 118.10 1a5m n GLY 113 Ca -0.17 -1.66 0.14 0.00 0.00 0.00 0.00 46.02 44.34 1a5m n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5m h ALA 114 N 1.00 1.86 -0.34 4.61 0.00 -1.79 -1.61 119.26 122.99 1a5m h ALA 114 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a5m h ALA 114 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1a5m h ALA 114 CO 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.09 1a5m n ALA 115 N -2.43 2.59 -2.79 0.00 0.00 -1.26 -4.88 120.51 111.74 1a5m n ALA 115 Ca -0.00 -0.67 -0.36 0.00 0.00 0.00 0.00 53.44 52.40 1a5m n ALA 115 Cb 0.21 -0.99 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 1a5m n ALA 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1a5m s THR 116 N -1.59 4.93 0.23 0.00 2.01 -0.61 -4.39 115.64 116.22 1a5m s THR 116 Ca 0.24 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 62.20 1a5m s THR 116 Cb 0.14 -3.29 -0.06 0.00 0.01 0.00 0.00 72.50 69.29 1a5m s THR 116 CO 0.14 0.36 0.52 -0.70 -0.69 0.00 0.00 174.62 174.25 1a5m s GLU 117 N 1.13 3.72 -0.05 4.92 2.56 0.93 -4.88 118.70 127.04 1a5m s GLU 117 Ca 0.06 0.13 0.06 0.00 0.00 0.00 0.00 54.97 55.22 1a5m s GLU 117 Cb -0.14 -2.68 -0.01 0.00 2.00 0.00 0.00 34.13 33.30 1a5m s GLU 117 CO 0.04 0.31 -0.23 0.08 -0.56 0.00 0.00 175.26 174.90 1a5m s VAL 118 N -1.87 1.90 -0.18 3.70 1.01 -1.26 -1.65 120.40 122.06 1a5m s VAL 118 Ca 0.45 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1a5m s VAL 118 Cb -0.11 -1.60 0.03 0.00 0.00 0.00 0.00 36.38 34.69 1a5m s VAL 118 CO 0.24 0.53 -0.14 -0.63 0.00 0.00 0.00 175.10 175.10 1a5m s ILE 119 N -0.21 1.75 -0.44 2.22 1.01 -0.50 -4.98 121.20 120.05 1a5m s ILE 119 Ca -0.01 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 1a5m s ILE 119 Cb -0.12 -1.68 0.03 0.00 0.01 0.00 0.00 42.46 40.69 1a5m s ILE 119 CO 0.02 0.37 1.12 0.00 0.00 0.00 0.00 174.94 176.45 1a5m s ALA 120 N 1.39 3.23 -1.05 9.38 0.00 -1.26 -1.60 121.76 131.85 1a5m s ALA 120 Ca 0.02 -0.40 0.13 0.00 0.00 0.00 0.00 51.96 51.71 1a5m s ALA 120 Cb -0.14 -3.84 0.37 0.00 0.00 0.00 0.00 23.12 19.51 1a5m s ALA 120 CO -0.10 -2.09 1.31 0.00 0.00 0.00 0.00 175.76 174.88 1a5m n ALA 121 N 7.61 2.25 -1.75 0.00 0.00 -0.23 -4.92 120.51 123.47 1a5m n ALA 121 Ca 0.12 -1.21 -0.42 0.00 0.00 0.00 0.00 53.44 51.92 1a5m n ALA 121 Cb 0.49 -0.52 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 1a5m n ALA 121 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1a5m s GLU 122 N -1.08 4.15 0.00 0.00 1.03 -1.00 -0.76 118.70 121.04 1a5m s GLU 122 Ca 0.28 2.54 0.00 0.00 0.03 0.00 0.00 54.97 57.82 1a5m s GLU 122 Cb 0.15 -3.69 0.00 0.00 -0.80 0.00 0.00 34.13 29.80 1a5m s GLU 122 CO 0.18 -0.84 0.00 0.41 -1.33 0.00 0.00 175.26 173.68 1a5m n GLY 123 N 4.23 0.75 3.54 -3.83 0.00 -1.26 -4.78 105.19 103.85 1a5m n GLY 123 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1a5m n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5m s LYS 124 N -0.33 1.94 -0.16 1.61 -0.14 0.06 -4.34 119.74 118.38 1a5m s LYS 124 Ca 0.00 -1.35 -0.06 0.00 -1.36 0.00 0.00 55.97 53.20 1a5m s LYS 124 Cb 0.00 -2.08 -0.04 0.00 -1.68 0.00 0.00 37.83 34.04 1a5m s LYS 124 CO 0.00 0.42 0.04 0.42 -0.76 0.00 0.00 175.35 175.47 1a5m s ILE 125 N -1.76 4.59 -0.10 2.17 1.01 0.28 -2.13 121.20 125.27 1a5m s ILE 125 Ca 0.24 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.80 1a5m s ILE 125 Cb -0.08 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 1a5m s ILE 125 CO 0.14 0.49 -0.14 -0.69 0.00 0.00 0.00 174.94 174.74 1a5m s VAL 126 N 0.15 2.98 0.28 2.92 1.01 -0.14 -0.17 120.40 127.43 1a5m s VAL 126 Ca 0.03 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1a5m s VAL 126 Cb -0.13 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1a5m s VAL 126 CO 0.01 0.55 0.09 0.42 0.00 0.00 0.00 175.10 176.17 1a5m s THR 127 N -0.00 0.70 0.62 3.92 -4.23 -0.47 -2.18 115.64 114.00 1a5m s THR 127 Ca -0.04 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.36 1a5m s THR 127 Cb -0.14 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 1a5m s THR 127 CO 0.04 0.00 1.03 0.00 -0.54 0.00 0.00 174.62 175.15 1a5m s ALA 128 N -3.63 3.10 0.37 3.99 0.00 -1.26 -1.07 121.76 123.26 1a5m s ALA 128 Ca 0.37 -0.09 -0.26 0.00 0.00 0.00 0.00 51.96 51.97 1a5m s ALA 128 Cb 0.08 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 20.04 1a5m s ALA 128 CO 0.14 -0.68 1.15 0.20 0.00 0.00 0.00 175.76 176.58 1a5m s GLY 129 N -4.16 2.91 0.81 0.00 0.00 -0.68 -4.60 107.32 101.60 1a5m s GLY 129 Ca 0.55 0.95 -0.11 0.00 0.00 0.00 0.00 44.72 46.12 1a5m s GLY 129 CO 0.54 1.49 1.09 -0.32 0.00 0.00 0.00 173.10 175.90 1a5m s GLY 130 N -1.06 1.67 -0.14 0.20 0.00 0.49 -4.64 107.32 103.84 1a5m s GLY 130 Ca 0.53 0.23 -0.03 0.00 0.00 0.00 0.00 44.72 45.46 1a5m s GLY 130 CO 0.39 0.61 0.04 -0.42 0.00 0.00 0.00 173.10 173.72 1a5m s ILE 131 N -2.89 0.29 -0.27 0.90 1.01 0.10 -0.78 121.20 119.56 1a5m s ILE 131 Ca 0.62 -0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.98 1a5m s ILE 131 Cb -0.18 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 1a5m s ILE 131 CO 0.56 -0.06 0.15 -0.62 0.00 0.00 0.00 174.94 174.97 1a5m s ASP 132 N 1.98 5.73 -0.24 3.58 -1.08 -0.81 -4.71 116.67 121.13 1a5m s ASP 132 Ca 0.02 -0.07 0.14 0.00 -0.52 0.00 0.00 52.55 52.12 1a5m s ASP 132 Cb -0.15 -2.05 0.72 0.00 -1.46 0.00 0.00 42.92 39.98 1a5m s ASP 132 CO -0.07 -0.04 1.67 0.35 0.52 0.00 0.00 175.17 177.60 1a5m n THR 133 N 4.98 2.67 -3.00 1.71 -2.24 -1.26 -1.03 114.28 116.10 1a5m n THR 133 Ca -0.15 -1.62 -0.16 0.00 -2.27 0.00 0.00 64.05 59.85 1a5m n THR 133 Cb 0.52 -0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.45 1a5m n THR 133 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1a5m n HIS 134 N 0.13 0.75 -3.49 4.78 -0.00 -1.14 -4.69 115.22 111.56 1a5m n HIS 134 Ca 0.28 -3.51 -0.37 0.00 -0.00 0.00 0.00 57.72 54.12 1a5m n HIS 134 Cb 1.15 -0.40 -0.06 0.00 -0.00 0.00 0.00 29.99 30.67 1a5m n HIS 134 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1a5m s ILE 135 N -2.82 5.20 -0.32 3.57 -1.09 -0.69 -2.13 121.20 122.91 1a5m s ILE 135 Ca 0.37 0.73 -0.09 0.00 -2.23 0.00 0.00 60.65 59.43 1a5m s ILE 135 Cb 0.38 -3.69 0.01 0.00 -1.58 0.00 0.00 42.46 37.58 1a5m s ILE 135 CO -0.05 0.45 0.14 -1.00 -1.23 0.00 0.00 174.94 173.25 1a5m s HIS 136 N -0.10 3.19 -1.24 3.97 3.76 -1.26 -1.55 115.29 122.07 1a5m s HIS 136 Ca 0.21 -0.86 -0.17 0.00 -0.15 0.00 0.00 55.06 54.09 1a5m s HIS 136 Cb -0.15 -2.34 -0.02 0.00 1.11 0.00 0.00 32.58 31.19 1a5m s HIS 136 CO 0.09 -0.56 2.07 0.91 -0.85 0.00 0.00 174.74 176.39 1a5m n TRP 137 N 4.94 3.20 0.08 1.40 7.02 -0.08 -4.55 117.44 129.45 1a5m n TRP 137 Ca -0.13 -2.56 -0.12 0.00 -1.02 0.00 0.00 57.50 53.66 1a5m n TRP 137 Cb 0.48 -2.35 -0.13 0.00 -2.42 0.00 0.00 31.31 26.88 1a5m n TRP 137 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1a5m h ILE 138 N 4.46 1.51 -2.47 -0.99 2.04 -1.87 -0.92 117.51 119.27 1a5m h ILE 138 Ca 0.49 -3.15 -0.09 0.00 1.00 0.00 0.00 64.86 63.12 1a5m h ILE 138 Cb 0.70 2.86 -0.20 0.00 -0.74 0.00 0.00 36.82 39.44 1a5m h ILE 138 CO 1.81 0.90 -0.04 0.00 0.00 0.00 0.00 178.15 180.82 1a5m h PRO 140 N 3.98 0.00 0.00 0.00 0.13 -1.98 -3.07 132.00 131.07 1a5m h PRO 140 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1a5m h PRO 140 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1a5m h PRO 140 CO 0.32 0.12 0.06 1.96 -0.23 0.00 0.00 178.00 180.24 1a5m h GLN 141 N 0.00 0.00 -0.33 0.86 7.50 -2.02 -2.43 115.11 118.68 1a5m h GLN 141 Ca -0.00 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 1a5m h GLN 141 Cb 0.41 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.92 1a5m h GLN 141 CO 0.02 0.00 0.14 1.96 -1.50 0.00 0.00 178.83 179.44 1a5m h GLN 142 N 0.00 0.46 -0.75 1.46 4.20 -1.96 -2.89 115.11 115.63 1a5m h GLN 142 Ca 0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1a5m h GLN 142 Cb 0.13 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1a5m h GLN 142 CO 0.00 0.38 0.40 0.00 -0.67 0.00 0.00 178.83 178.94 1a5m h ALA 143 N 1.69 0.97 -0.33 3.87 0.00 -1.69 -1.07 119.26 122.69 1a5m h ALA 143 Ca 0.12 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1a5m h ALA 143 Cb 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1a5m h ALA 143 CO -0.01 0.50 -0.12 1.49 0.00 0.00 0.00 179.25 181.10 1a5m h GLU 144 N 1.05 0.67 -0.48 0.00 4.81 -1.71 0.22 114.58 119.13 1a5m h GLU 144 Ca 0.26 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1a5m h GLU 144 Cb 0.06 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1a5m h GLU 144 CO -0.04 0.86 0.27 1.49 -0.73 0.00 0.00 179.01 180.86 1a5m h GLU 145 N 0.44 0.53 -0.32 1.92 4.57 -1.36 -0.80 114.58 119.55 1a5m h GLU 145 Ca 0.08 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.09 1a5m h GLU 145 Cb 0.63 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1a5m h GLU 145 CO 0.04 0.35 -0.35 0.00 -1.18 0.00 0.00 179.01 177.87 1a5m h ALA 146 N 1.23 0.48 -0.43 2.92 0.00 -1.10 -2.73 119.26 119.62 1a5m h ALA 146 Ca 0.20 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1a5m h ALA 146 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1a5m h ALA 146 CO -0.11 0.55 0.28 1.25 0.00 0.00 0.00 179.25 181.22 1a5m h LEU 147 N 0.59 0.47 -1.34 0.00 5.85 -0.68 -0.85 115.31 119.34 1a5m h LEU 147 Ca 0.05 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1a5m h LEU 147 Cb 0.94 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1a5m h LEU 147 CO 0.09 0.34 0.46 0.58 -0.34 0.00 0.00 178.44 179.56 1a5m h VAL 148 N 0.56 1.14 0.00 1.05 2.07 -1.13 -1.73 116.25 118.22 1a5m h VAL 148 Ca 0.16 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1a5m h VAL 148 Cb -0.04 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1a5m h VAL 148 CO -0.05 0.16 0.00 0.77 0.02 0.00 0.00 177.57 178.47 1a5m h SER 149 N 0.89 0.00 0.00 0.57 4.64 -1.07 -3.39 113.55 115.19 1a5m h SER 149 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1a5m h SER 149 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1a5m h SER 149 CO -0.07 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.50 1a5m n GLY 150 N 0.41 1.51 3.49 -0.77 0.00 -0.65 -4.85 105.19 104.33 1a5m n GLY 150 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1a5m n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a5m s VAL 151 N -2.00 4.51 -0.86 1.61 1.01 -0.39 -0.38 120.40 123.90 1a5m s VAL 151 Ca 0.00 -0.11 0.16 0.00 0.00 0.00 0.00 61.98 62.03 1a5m s VAL 151 Cb 0.00 -3.11 -0.15 0.00 0.00 0.00 0.00 36.38 33.12 1a5m s VAL 151 CO 0.00 0.34 0.71 0.35 0.00 0.00 0.00 175.10 176.50 1a5m n THR 152 N 4.79 0.00 -4.53 3.92 -2.24 0.04 -3.37 114.28 112.88 1a5m n THR 152 Ca -0.16 -0.15 -0.23 0.00 -2.27 0.00 0.00 64.05 61.24 1a5m n THR 152 Cb 0.52 1.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.61 1a5m n THR 152 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1a5m s THR 153 N -2.44 1.02 -0.11 4.28 2.01 -1.02 -1.09 115.64 118.29 1a5m s THR 153 Ca 0.07 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1a5m s THR 153 Cb 0.12 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.73 1a5m s THR 153 CO 0.63 0.32 -0.10 -0.04 -0.69 0.00 0.00 174.62 174.73 1a5m s MET 154 N 0.45 1.77 -0.10 4.92 -1.94 0.43 -1.92 119.30 122.91 1a5m s MET 154 Ca -0.09 -0.37 0.03 0.00 -1.71 0.00 0.00 55.69 53.55 1a5m s MET 154 Cb -0.13 -1.68 -0.01 0.00 2.01 0.00 0.00 34.83 35.02 1a5m s MET 154 CO 0.02 -0.19 -0.19 0.08 -0.01 0.00 0.00 175.02 174.72 1a5m s VAL 155 N 1.43 2.53 -2.44 -6.03 1.01 -0.20 -2.69 120.40 114.00 1a5m s VAL 155 Ca 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1a5m s VAL 155 Cb -0.13 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1a5m s VAL 155 CO -0.06 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1a5m n GLY 156 N 3.27 -0.56 3.40 4.51 0.00 -0.99 -1.71 105.19 113.11 1a5m n GLY 156 Ca -0.18 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1a5m n GLY 156 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a5m s GLY 157 N 0.00 0.18 0.00 -0.02 0.00 -0.59 -0.69 107.32 106.20 1a5m s GLY 157 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1a5m s GLY 157 CO 0.00 -0.58 0.00 0.61 0.00 0.00 0.00 173.10 173.13 1a5m n GLY 158 N -0.25 2.25 0.00 0.20 0.00 -1.19 -0.90 105.19 105.31 1a5m n GLY 158 Ca -0.09 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1a5m n GLY 158 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5m n THR 159 N -1.37 0.02 0.00 2.61 -2.24 -1.23 -4.62 114.28 107.44 1a5m n THR 159 Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1a5m n THR 159 Cb 0.00 1.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 1a5m n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a5m n GLY 160 N -0.01 0.72 2.62 3.38 0.00 -0.35 -4.90 105.19 106.65 1a5m n GLY 160 Ca 0.00 -2.08 -0.35 0.00 0.00 0.00 0.00 46.02 43.60 1a5m n GLY 160 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a5m n PRO 161 N 0.00 2.63 -4.22 1.61 -0.04 -0.63 -4.39 135.00 129.96 1a5m n PRO 161 Ca 0.00 -1.96 -0.27 0.00 -0.04 0.00 0.00 63.50 61.23 1a5m n PRO 161 Cb 0.00 -2.79 -0.08 0.00 -0.04 0.00 0.00 33.50 30.59 1a5m n PRO 161 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a5m s ALA 162 N 3.25 3.13 0.23 0.55 0.00 -1.26 -4.98 121.76 122.69 1a5m s ALA 162 Ca 0.53 -1.38 -0.09 0.00 0.00 0.00 0.00 51.96 51.02 1a5m s ALA 162 Cb 0.14 -0.93 0.37 0.00 0.00 0.00 0.00 23.12 22.70 1a5m s ALA 162 CO -0.03 0.49 1.64 0.00 0.00 0.00 0.00 175.76 177.86 1a5m h ALA 163 N 2.81 0.68 -0.76 0.00 0.00 -1.99 0.30 119.26 120.30 1a5m h ALA 163 Ca -0.47 0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1a5m h ALA 163 Cb 1.20 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 1a5m h ALA 163 CO 0.57 -0.42 0.48 0.78 0.00 0.00 0.00 179.25 180.66 1a5m h GLY 164 N 0.09 1.10 1.90 0.00 0.00 -1.95 -2.54 103.07 101.68 1a5m h GLY 164 Ca 0.38 -0.36 -0.18 0.00 0.00 0.00 0.00 47.33 47.17 1a5m h GLY 164 CO -0.64 0.30 -0.80 -0.84 0.00 0.00 0.00 176.54 174.55 1a5m h THR 165 N 0.93 1.52 -0.61 4.70 2.02 -1.49 0.10 112.91 120.09 1a5m h THR 165 Ca 0.31 -2.61 0.04 0.00 0.77 0.00 0.00 66.41 64.92 1a5m h THR 165 Cb 0.03 2.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.82 1a5m h THR 165 CO -0.12 0.75 0.35 0.45 0.37 0.00 0.00 175.52 177.33 1a5m h HIS 166 N 0.05 0.66 0.05 3.16 3.86 -0.60 -3.22 115.15 119.12 1a5m h HIS 166 Ca -0.02 0.02 -0.32 0.00 -1.16 0.00 0.00 60.37 58.89 1a5m h HIS 166 Cb 1.41 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 29.64 1a5m h HIS 166 CO 0.01 0.35 -1.78 0.00 0.86 0.00 0.00 177.93 177.38 1a5m h ALA 167 N 1.29 0.61 -2.20 2.45 0.00 -1.44 -3.43 119.26 116.54 1a5m h ALA 167 Ca 0.26 -1.40 -0.44 0.00 0.00 0.00 0.00 54.91 53.33 1a5m h ALA 167 Cb 0.08 0.53 -0.14 0.00 0.00 0.00 0.00 17.79 18.26 1a5m h ALA 167 CO -0.13 1.45 -0.72 0.95 0.00 0.00 0.00 179.25 180.80 1a5m s THR 168 N -2.59 1.61 -0.84 0.00 -4.23 0.34 -4.97 115.64 104.97 1a5m s THR 168 Ca -0.11 -2.17 -0.03 0.00 -1.18 0.00 0.00 61.69 58.20 1a5m s THR 168 Cb 0.07 -2.09 0.22 0.00 1.34 0.00 0.00 72.50 72.05 1a5m s THR 168 CO 0.81 -0.56 2.27 0.35 -0.54 0.00 0.00 174.62 176.95 1a5m n THR 169 N -0.39 4.26 -5.09 3.99 -2.24 -1.26 -4.23 114.28 109.33 1a5m n THR 169 Ca -0.08 -4.25 -0.30 0.00 -2.27 0.00 0.00 64.05 57.15 1a5m n THR 169 Cb 0.61 -1.53 -0.17 0.00 -2.10 0.00 0.00 70.33 67.14 1a5m n THR 169 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5m s THR 171 N 0.38 4.62 -0.20 0.00 2.01 -0.66 -3.14 115.64 118.65 1a5m s THR 171 Ca -0.17 -1.93 -0.29 0.00 0.31 0.00 0.00 61.69 59.61 1a5m s THR 171 Cb -0.17 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 1a5m s THR 171 CO 0.08 -0.85 1.68 -2.84 -0.69 0.00 0.00 174.62 172.00 1a5m s PRO 172 N 1.11 3.77 0.25 4.92 0.02 -1.26 -3.83 135.00 139.99 1a5m s PRO 172 Ca 0.08 1.75 0.00 0.00 0.02 0.00 0.00 61.00 62.85 1a5m s PRO 172 Cb -0.24 -4.07 0.00 0.00 0.02 0.00 0.00 34.50 30.21 1a5m s PRO 172 CO -0.01 -1.33 0.00 0.41 -0.33 0.00 0.00 177.00 175.74 1a5m n GLY 173 N 4.72 -2.59 0.25 0.52 0.00 -1.26 -4.09 105.19 102.74 1a5m n GLY 173 Ca 0.20 -1.29 0.03 0.00 0.00 0.00 0.00 46.02 44.95 1a5m n GLY 173 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a5m h PRO 174 N -0.65 0.20 0.20 1.61 0.11 -1.91 -0.43 132.00 131.13 1a5m h PRO 174 Ca -0.06 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1a5m h PRO 174 Cb 0.63 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1a5m h PRO 174 CO 0.03 0.13 -0.10 2.35 -0.21 0.00 0.00 178.00 180.20 1a5m h TRP 175 N 0.21 -0.25 -0.31 0.65 7.01 -2.00 -0.58 115.95 120.68 1a5m h TRP 175 Ca 0.36 -0.01 -0.10 0.00 2.11 0.00 0.00 58.89 61.25 1a5m h TRP 175 Cb 0.60 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 1a5m h TRP 175 CO -0.30 -0.04 -0.23 1.88 -2.79 0.00 0.00 178.44 176.96 1a5m h TYR 176 N -0.42 0.68 -0.18 2.65 0.05 -1.67 -1.29 116.97 116.79 1a5m h TYR 176 Ca -0.03 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.60 1a5m h TYR 176 Cb 0.32 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 1a5m h TYR 176 CO -0.02 0.79 0.09 0.82 -1.05 0.00 0.00 178.16 178.79 1a5m h ILE 177 N 0.54 1.12 -0.60 -2.88 2.04 -0.99 -0.19 117.51 116.54 1a5m h ILE 177 Ca 0.08 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.63 1a5m h ILE 177 Cb 0.69 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1a5m h ILE 177 CO 0.05 0.11 0.38 0.28 0.00 0.00 0.00 178.15 178.97 1a5m h SER 178 N 0.18 0.63 -0.64 1.72 0.02 -0.95 0.08 113.55 114.59 1a5m h SER 178 Ca 0.06 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1a5m h SER 178 Cb 0.09 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 1a5m h SER 178 CO -0.01 0.45 0.35 -0.09 -1.14 0.00 0.00 176.83 176.39 1a5m h ARG 179 N 0.76 0.90 -0.08 3.45 9.65 -0.90 -2.19 114.38 125.97 1a5m h ARG 179 Ca 0.24 -0.10 -0.16 0.00 -1.10 0.00 0.00 59.98 58.85 1a5m h ARG 179 Cb -0.02 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.38 1a5m h ARG 179 CO -0.08 0.68 -0.63 0.52 2.80 0.00 0.00 179.97 183.25 1a5m h MET 180 N 0.88 0.29 -0.50 0.20 2.86 -0.64 -1.48 114.93 116.54 1a5m h MET 180 Ca 0.23 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 1a5m h MET 180 Cb 0.04 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1a5m h MET 180 CO -0.04 0.83 0.06 -0.07 1.06 0.00 0.00 176.91 178.76 1a5m h LEU 181 N 0.21 0.75 -0.20 1.22 3.38 -0.77 -0.37 115.31 119.53 1a5m h LEU 181 Ca -0.01 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1a5m h LEU 181 Cb 1.16 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1a5m h LEU 181 CO 0.10 0.77 -0.16 1.56 0.09 0.00 0.00 178.44 180.81 1a5m h GLN 182 N 0.75 0.45 0.00 1.13 4.20 -1.22 -3.02 115.11 117.41 1a5m h GLN 182 Ca 0.16 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1a5m h GLN 182 Cb 0.36 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1a5m h GLN 182 CO 0.01 0.78 -0.15 0.00 -0.67 0.00 0.00 178.83 178.80 1a5m h ALA 183 N 0.66 1.51 -0.09 3.87 0.00 -1.02 -2.78 119.26 121.41 1a5m h ALA 183 Ca 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1a5m h ALA 183 Cb 0.68 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1a5m h ALA 183 CO 0.04 0.18 0.02 0.00 0.00 0.00 0.00 179.25 179.49 1a5m h ALA 184 N 1.85 1.87 -0.02 0.00 0.00 -0.93 -2.17 119.26 119.87 1a5m h ALA 184 Ca -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1a5m h ALA 184 Cb 0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1a5m h ALA 184 CO 0.02 0.10 0.06 -0.44 0.00 0.00 0.00 179.25 178.99 1a5m h ASP 185 N 0.12 0.00 0.50 0.00 3.32 -1.59 -0.45 116.42 118.32 1a5m h ASP 185 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1a5m h ASP 185 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1a5m h ASP 185 CO -0.00 0.00 -0.31 -1.20 -1.72 0.00 0.00 179.24 176.01 1a5m n SER 186 N -3.31 0.52 -4.74 6.45 7.64 -0.82 -4.71 113.62 114.67 1a5m n SER 186 Ca -0.02 -0.32 -0.35 0.00 1.01 0.00 0.00 58.87 59.18 1a5m n SER 186 Cb 0.14 0.06 -0.08 0.00 -1.01 0.00 0.00 64.21 63.31 1a5m n SER 186 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a5m s LEU 187 N -2.81 4.04 0.00 -3.43 1.43 -0.18 -5.01 118.68 112.72 1a5m s LEU 187 Ca 0.17 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1a5m s LEU 187 Cb 0.19 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1a5m s LEU 187 CO 0.60 0.28 0.53 -0.81 0.23 0.00 0.00 176.35 177.17 1a5m n PRO 188 N 2.86 0.71 -4.18 1.29 -0.04 -1.26 -4.81 135.00 129.57 1a5m n PRO 188 Ca -0.18 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.14 1a5m n PRO 188 Cb 0.53 -1.25 -0.11 0.00 -0.04 0.00 0.00 33.50 32.63 1a5m n PRO 188 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1a5m s VAL 189 N -0.38 0.96 0.32 0.52 -7.23 -1.26 -5.01 120.40 108.32 1a5m s VAL 189 Ca 0.00 -1.62 -0.28 0.00 -1.81 0.00 0.00 61.98 58.27 1a5m s VAL 189 Cb 0.00 -1.34 -0.10 0.00 0.56 0.00 0.00 36.38 35.50 1a5m s VAL 189 CO 0.00 -0.53 1.21 0.20 -0.31 0.00 0.00 175.10 175.66 1a5m s ASN 190 N -2.39 6.93 0.02 4.85 0.01 -0.25 -4.66 114.94 119.44 1a5m s ASN 190 Ca 0.05 2.47 0.03 0.00 -0.71 0.00 0.00 52.86 54.70 1a5m s ASN 190 Cb -0.03 -2.64 -0.01 0.00 0.41 0.00 0.00 41.25 38.98 1a5m s ASN 190 CO 0.00 -0.40 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.48 1a5m s ILE 191 N -1.19 0.62 -0.02 0.60 1.01 -0.44 -0.43 121.20 121.35 1a5m s ILE 191 Ca 0.48 -0.65 -0.00 0.00 0.00 0.00 0.00 60.65 60.48 1a5m s ILE 191 Cb -0.35 -0.58 0.03 0.00 0.01 0.00 0.00 42.46 41.56 1a5m s ILE 191 CO 0.46 -0.05 0.04 -0.83 0.00 0.00 0.00 174.94 174.56 1a5m s GLY 192 N -0.78 0.08 0.19 6.18 0.00 -1.10 -0.80 107.32 111.10 1a5m s GLY 192 Ca -0.02 0.30 -0.01 0.00 0.00 0.00 0.00 44.72 45.00 1a5m s GLY 192 CO 0.00 0.63 0.38 1.08 0.00 0.00 0.00 173.10 175.19 1a5m s LEU 193 N 0.94 4.24 -0.05 0.66 1.43 -1.26 -2.35 118.68 122.29 1a5m s LEU 193 Ca -0.08 0.39 0.06 0.00 -1.03 0.00 0.00 54.13 53.47 1a5m s LEU 193 Cb -0.11 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 42.94 1a5m s LEU 193 CO -0.03 -0.02 -0.23 -0.76 0.23 0.00 0.00 176.35 175.54 1a5m s LEU 194 N -3.25 2.19 0.58 1.79 1.43 0.13 -0.50 118.68 121.06 1a5m s LEU 194 Ca 0.38 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 1a5m s LEU 194 Cb -0.11 -1.40 0.09 0.00 0.03 0.00 0.00 46.19 44.79 1a5m s LEU 194 CO 0.29 0.28 0.80 -0.83 0.23 0.00 0.00 176.35 177.11 1a5m s GLY 195 N -0.34 1.75 -0.50 -3.19 0.00 -0.45 -1.65 107.32 102.94 1a5m s GLY 195 Ca 0.02 -2.06 -0.28 0.00 0.00 0.00 0.00 44.72 42.40 1a5m s GLY 195 CO 0.02 -1.61 1.09 1.25 0.00 0.00 0.00 173.10 173.85 1a5m s LYS 196 N -4.70 3.61 0.00 2.90 2.20 -1.25 -1.39 119.74 121.10 1a5m s LYS 196 Ca 0.62 0.35 0.20 0.00 -0.36 0.00 0.00 55.97 56.78 1a5m s LYS 196 Cb -0.06 -3.95 0.72 0.00 -1.51 0.00 0.00 37.83 33.03 1a5m s LYS 196 CO 0.39 -1.42 1.53 0.41 -0.36 0.00 0.00 175.35 175.90 1a5m n GLY 197 N 4.94 0.36 3.54 5.54 0.00 -0.83 -4.76 105.19 113.98 1a5m n GLY 197 Ca 0.09 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 1a5m n GLY 197 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a5m s ASN 198 N -1.54 6.85 0.01 1.61 -0.87 -1.26 -4.55 114.94 115.19 1a5m s ASN 198 Ca 0.32 -2.45 -0.24 0.00 -1.57 0.00 0.00 52.86 48.92 1a5m s ASN 198 Cb 0.17 -2.52 0.05 0.00 -0.02 0.00 0.00 41.25 38.94 1a5m s ASN 198 CO 0.26 -1.09 0.54 -0.69 -2.57 0.00 0.00 177.10 173.55 1a5m s VAL 199 N 3.49 0.02 -0.53 1.60 1.01 -1.26 -5.00 120.40 119.73 1a5m s VAL 199 Ca 0.49 -0.20 0.15 0.00 0.00 0.00 0.00 61.98 62.42 1a5m s VAL 199 Cb 0.01 -0.93 0.52 0.00 0.00 0.00 0.00 36.38 35.98 1a5m s VAL 199 CO 0.02 -0.11 1.44 -1.20 0.00 0.00 0.00 175.10 175.25 1a5m n SER 200 N 0.66 3.91 -4.01 3.32 7.64 -1.26 -4.49 113.62 119.40 1a5m n SER 200 Ca -0.19 -2.65 -0.31 0.00 1.01 0.00 0.00 58.87 56.73 1a5m n SER 200 Cb 0.59 -0.48 -0.15 0.00 -1.01 0.00 0.00 64.21 63.16 1a5m n SER 200 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1a5m s GLN 201 N -2.18 1.98 0.21 1.43 2.00 -1.26 -5.01 119.66 116.83 1a5m s GLN 201 Ca 0.39 -1.13 -0.10 0.00 -2.00 0.00 0.00 55.36 52.52 1a5m s GLN 201 Cb 0.29 -2.71 0.29 0.00 0.80 0.00 0.00 33.01 31.68 1a5m s GLN 201 CO 0.14 -0.56 1.70 -1.35 -0.50 0.00 0.00 175.29 174.72 1a5m h PRO 202 N 7.87 0.22 -0.77 1.67 0.11 -1.91 -2.51 132.00 136.68 1a5m h PRO 202 Ca -0.20 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.06 1a5m h PRO 202 Cb 1.06 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 1a5m h PRO 202 CO 0.45 0.14 0.52 -0.44 -0.21 0.00 0.00 178.00 178.46 1a5m h ASP 203 N 0.23 0.37 0.40 -2.05 3.32 -1.98 0.15 116.42 116.84 1a5m h ASP 203 Ca 0.31 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 1a5m h ASP 203 Cb 0.47 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1a5m h ASP 203 CO -0.42 0.18 -0.21 0.00 -1.72 0.00 0.00 179.24 177.07 1a5m h ALA 204 N 1.64 1.35 0.12 3.45 0.00 -1.89 -1.73 119.26 122.19 1a5m h ALA 204 Ca 0.38 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.85 1a5m h ALA 204 Cb 0.93 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1a5m h ALA 204 CO -0.12 0.26 -1.29 -0.07 0.00 0.00 0.00 179.25 178.03 1a5m h LEU 205 N 0.00 0.38 -0.96 0.00 3.38 -0.89 -3.33 115.31 113.89 1a5m h LEU 205 Ca -0.00 -0.86 0.07 0.00 0.09 0.00 0.00 57.88 57.18 1a5m h LEU 205 Cb 0.46 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1a5m h LEU 205 CO 0.03 1.57 0.61 0.03 0.09 0.00 0.00 178.44 180.77 1a5m h ARG 206 N -0.34 1.05 -0.56 1.13 3.08 -0.83 -1.76 114.38 116.15 1a5m h ARG 206 Ca -0.27 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 59.76 1a5m h ARG 206 Cb 1.72 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 31.49 1a5m h ARG 206 CO 0.07 0.70 0.29 0.93 -1.07 0.00 0.00 179.97 180.89 1a5m h GLU 207 N 1.09 0.54 -0.40 0.04 5.08 -1.47 0.89 114.58 120.35 1a5m h GLU 207 Ca 0.42 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.73 1a5m h GLU 207 Cb 0.21 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1a5m h GLU 207 CO -0.19 0.36 0.16 1.96 -1.00 0.00 0.00 179.01 180.30 1a5m h GLN 208 N 0.56 0.60 -0.68 2.33 4.20 -1.46 0.68 115.11 121.33 1a5m h GLN 208 Ca 0.25 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 1a5m h GLN 208 Cb 0.16 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1a5m h GLN 208 CO -0.17 0.56 0.28 0.28 -0.67 0.00 0.00 178.83 179.11 1a5m h VAL 209 N 0.50 1.24 0.00 -0.54 2.07 -0.83 -1.79 116.25 116.90 1a5m h VAL 209 Ca 0.13 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1a5m h VAL 209 Cb 0.18 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1a5m h VAL 209 CO -0.01 0.30 -0.18 0.00 0.02 0.00 0.00 177.57 177.69 1a5m h ALA 210 N 1.13 1.23 0.00 1.67 0.00 -0.50 -2.12 119.26 120.66 1a5m h ALA 210 Ca 0.23 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1a5m h ALA 210 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1a5m h ALA 210 CO -0.02 0.23 -0.32 0.00 0.00 0.00 0.00 179.25 179.14 1a5m h ALA 211 N 1.82 0.86 0.00 0.00 0.00 -0.01 -3.36 119.26 118.57 1a5m h ALA 211 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1a5m h ALA 211 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1a5m h ALA 211 CO 0.02 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1a5m n GLY 212 N 0.77 0.53 3.76 0.00 0.00 -0.80 -4.72 105.19 104.74 1a5m n GLY 212 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1a5m n GLY 212 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a5m s VAL 213 N 0.00 2.89 -2.21 1.61 -7.23 -1.15 -3.91 120.40 110.39 1a5m s VAL 213 Ca 0.00 0.58 0.20 0.00 -1.81 0.00 0.00 61.98 60.95 1a5m s VAL 213 Cb 0.00 -3.25 0.35 0.00 0.56 0.00 0.00 36.38 34.04 1a5m s VAL 213 CO 0.00 -0.09 1.30 2.30 -0.31 0.00 0.00 175.10 178.30 1a5m n ILE 214 N -1.24 0.45 -3.76 -0.62 -5.35 0.35 -4.01 119.36 105.17 1a5m n ILE 214 Ca 0.12 -0.72 -0.01 0.00 -0.27 0.00 0.00 62.75 61.86 1a5m n ILE 214 Cb 0.50 1.01 -0.00 0.00 -1.74 0.00 0.00 39.64 39.41 1a5m n ILE 214 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1a5m s GLY 215 N -1.40 -0.22 -0.10 3.28 0.00 -1.21 -2.83 107.32 104.84 1a5m s GLY 215 Ca 0.33 0.23 0.00 0.00 0.00 0.00 0.00 44.72 45.28 1a5m s GLY 215 CO 0.28 1.29 -0.09 1.08 0.00 0.00 0.00 173.10 175.66 1a5m s LEU 216 N -3.17 1.29 -0.23 0.66 1.43 -0.05 -1.34 118.68 117.28 1a5m s LEU 216 Ca 0.17 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 1a5m s LEU 216 Cb 0.01 -0.84 -0.05 0.00 0.03 0.00 0.00 46.19 45.34 1a5m s LEU 216 CO 0.00 -0.09 0.24 0.00 0.23 0.00 0.00 176.35 176.74 1a5m s ALA 217 N 1.48 3.59 -0.25 4.21 0.00 -0.49 -1.66 121.76 128.65 1a5m s ALA 217 Ca 0.01 -0.76 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 1a5m s ALA 217 Cb -0.13 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 1a5m s ALA 217 CO -0.06 -0.22 0.12 0.42 0.00 0.00 0.00 175.76 176.02 1a5m s ILE 218 N 1.13 4.82 0.02 0.00 1.09 0.54 -1.96 121.20 126.84 1a5m s ILE 218 Ca 0.12 -0.00 0.07 0.00 -1.10 0.00 0.00 60.65 59.73 1a5m s ILE 218 Cb -0.14 -3.26 -0.02 0.00 -1.06 0.00 0.00 42.46 37.98 1a5m s ILE 218 CO 0.06 0.32 -0.20 -1.00 -0.10 0.00 0.00 174.94 174.01 1a5m s HIS 219 N 1.50 1.76 0.60 3.97 3.76 -1.26 -0.52 115.29 125.10 1a5m s HIS 219 Ca 0.06 -0.36 0.32 0.00 -0.15 0.00 0.00 55.06 54.94 1a5m s HIS 219 Cb -0.15 -1.08 1.90 0.00 1.11 0.00 0.00 32.58 34.36 1a5m s HIS 219 CO 0.06 0.04 2.25 1.05 -0.85 0.00 0.00 174.74 177.29 1a5m h GLU 220 N 5.18 0.00 0.00 1.40 4.11 -1.68 -2.02 114.58 121.58 1a5m h GLU 220 Ca -0.41 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.00 1a5m h GLU 220 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1a5m h GLU 220 CO 0.45 0.00 -0.10 -0.44 0.07 0.00 0.00 179.01 179.00 1a5m h ASP 221 N 0.00 0.00 -0.39 3.06 5.19 -1.94 -0.08 116.42 122.26 1a5m h ASP 221 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1a5m h ASP 221 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1a5m h ASP 221 CO -0.00 0.10 0.00 0.79 -3.12 0.00 0.00 179.24 177.01 1a5m n TRP 222 N -4.37 0.50 -0.56 4.55 7.02 -0.77 -5.01 117.44 118.80 1a5m n TRP 222 Ca -0.03 -0.26 0.00 0.00 -1.02 0.00 0.00 57.50 56.19 1a5m n TRP 222 Cb 0.17 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.06 1a5m n TRP 222 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1a5m n GLY 223 N 1.45 -1.14 2.85 6.99 0.00 -0.04 -4.91 105.19 110.38 1a5m n GLY 223 Ca 0.19 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1a5m n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5m n ALA 224 N 0.19 5.50 -2.39 4.61 0.00 -1.25 -4.86 120.51 122.30 1a5m n ALA 224 Ca 0.00 -4.42 -0.28 0.00 0.00 0.00 0.00 53.44 48.74 1a5m n ALA 224 Cb 0.00 -2.79 -0.02 0.00 0.00 0.00 0.00 19.45 16.64 1a5m n ALA 224 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1a5m s THR 225 N -0.66 4.95 0.27 0.00 -4.23 -1.26 -4.31 115.64 110.39 1a5m s THR 225 Ca 0.39 0.17 -0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1a5m s THR 225 Cb 0.10 -3.78 0.26 0.00 1.34 0.00 0.00 72.50 70.41 1a5m s THR 225 CO 0.02 -0.54 1.80 -0.65 -0.54 0.00 0.00 174.62 174.71 1a5m h PRO 226 N 1.07 0.80 -0.33 3.99 0.11 -1.94 -0.02 132.00 135.69 1a5m h PRO 226 Ca -0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1a5m h PRO 226 Cb 1.20 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1a5m h PRO 226 CO 0.64 0.53 0.16 0.00 -0.21 0.00 0.00 178.00 179.11 1a5m h ALA 227 N 1.53 0.43 -0.18 -0.75 0.00 -1.98 0.02 119.26 118.33 1a5m h ALA 227 Ca 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1a5m h ALA 227 Cb 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1a5m h ALA 227 CO -0.30 0.00 0.09 0.00 0.00 0.00 0.00 179.25 179.05 1a5m h ALA 228 N 1.01 0.24 -0.21 0.00 0.00 -1.57 -0.85 119.26 117.88 1a5m h ALA 228 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1a5m h ALA 228 Cb 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1a5m h ALA 228 CO -0.01 -0.21 0.07 0.82 0.00 0.00 0.00 179.25 179.91 1a5m h ILE 229 N 0.17 0.94 -0.71 0.00 2.04 -0.89 -1.08 117.51 117.98 1a5m h ILE 229 Ca 0.06 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1a5m h ILE 229 Cb 0.10 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1a5m h ILE 229 CO -0.01 0.03 0.46 -0.78 0.00 0.00 0.00 178.15 177.85 1a5m h ASP 230 N 0.16 0.83 0.17 1.72 3.58 -0.86 -1.67 116.42 120.36 1a5m h ASP 230 Ca 0.09 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1a5m h ASP 230 Cb 0.06 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 1a5m h ASP 230 CO -0.10 0.62 -0.10 0.00 -2.88 0.00 0.00 179.24 176.78 1a5m h ALA 232 N 0.56 1.19 -0.08 0.00 0.00 -1.05 -2.23 119.26 117.64 1a5m h ALA 232 Ca -0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1a5m h ALA 232 Cb 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1a5m h ALA 232 CO 0.02 0.50 -0.37 -0.07 0.00 0.00 0.00 179.25 179.32 1a5m h LEU 233 N 1.19 0.17 -0.33 0.00 3.38 -1.11 -0.68 115.31 117.93 1a5m h LEU 233 Ca 0.35 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 1a5m h LEU 233 Cb -0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1a5m h LEU 233 CO -0.10 0.54 -0.01 0.74 0.09 0.00 0.00 178.44 179.70 1a5m h THR 234 N 0.15 1.26 -0.43 0.22 2.02 -0.74 -0.85 112.91 114.54 1a5m h THR 234 Ca 0.02 -0.98 -0.13 0.00 0.77 0.00 0.00 66.41 66.08 1a5m h THR 234 Cb 0.73 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1a5m h THR 234 CO 0.06 0.32 -0.27 0.58 0.37 0.00 0.00 175.52 176.58 1a5m h VAL 235 N 0.39 1.27 -0.56 3.16 2.07 -1.28 -2.78 116.25 118.52 1a5m h VAL 235 Ca 0.09 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1a5m h VAL 235 Cb 0.46 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1a5m h VAL 235 CO 0.02 0.48 0.35 0.00 0.02 0.00 0.00 177.57 178.44 1a5m h ALA 236 N 0.92 0.72 -0.03 1.67 0.00 -0.99 -0.68 119.26 120.86 1a5m h ALA 236 Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1a5m h ALA 236 Cb 0.83 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1a5m h ALA 236 CO 0.07 0.18 -0.00 -0.44 0.00 0.00 0.00 179.25 179.06 1a5m h ASP 237 N 0.76 0.03 0.36 0.00 3.32 -0.97 -0.84 116.42 119.09 1a5m h ASP 237 Ca 0.20 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1a5m h ASP 237 Cb -0.04 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1a5m h ASP 237 CO -0.04 0.05 -1.14 -1.84 -1.72 0.00 0.00 179.24 174.54 1a5m n GLU 238 N -4.51 0.32 -0.02 3.56 0.28 -0.87 -4.39 120.64 115.01 1a5m n GLU 238 Ca -0.03 -0.02 0.04 0.00 -0.16 0.00 0.00 57.16 56.99 1a5m n GLU 238 Cb 0.11 -1.59 0.04 0.00 1.43 0.00 0.00 31.44 31.43 1a5m n GLU 238 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1a5m n MET 239 N -1.99 0.50 -3.55 3.44 2.81 -0.32 -5.02 117.12 112.99 1a5m n MET 239 Ca 0.01 -1.09 -0.20 0.00 -1.81 0.00 0.00 57.70 54.61 1a5m n MET 239 Cb 0.45 -1.15 0.06 0.00 -0.71 0.00 0.00 33.22 31.87 1a5m n MET 239 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1a5m n ASP 240 N 0.38 -2.54 -4.38 7.83 2.03 -0.35 -4.65 116.55 114.87 1a5m n ASP 240 Ca 0.05 -0.76 -0.20 0.00 0.52 0.00 0.00 54.79 54.40 1a5m n ASP 240 Cb 0.22 -4.49 -0.10 0.00 -0.72 0.00 0.00 41.12 36.02 1a5m n ASP 240 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1a5m s ILE 241 N -3.52 1.65 0.17 5.18 -5.25 -1.20 -4.54 121.20 113.68 1a5m s ILE 241 Ca 0.11 -2.16 -0.03 0.00 -0.99 0.00 0.00 60.65 57.58 1a5m s ILE 241 Cb -0.02 -2.24 -0.05 0.00 2.95 0.00 0.00 42.46 43.10 1a5m s ILE 241 CO 0.78 -0.45 0.38 -1.58 -1.79 0.00 0.00 174.94 172.28 1a5m s GLN 242 N -3.69 3.56 -0.12 0.37 2.00 -1.13 -4.68 119.66 115.97 1a5m s GLN 242 Ca 0.26 -0.23 0.01 0.00 -2.00 0.00 0.00 55.36 53.40 1a5m s GLN 242 Cb 0.02 -2.85 -0.02 0.00 0.80 0.00 0.00 33.01 30.96 1a5m s GLN 242 CO 0.09 0.44 -0.14 0.08 -0.50 0.00 0.00 175.29 175.26 1a5m s VAL 243 N -1.76 2.99 -0.14 1.34 1.01 -1.26 -0.87 120.40 121.71 1a5m s VAL 243 Ca 0.39 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1a5m s VAL 243 Cb -0.12 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 1a5m s VAL 243 CO 0.27 0.53 -0.17 0.00 0.00 0.00 0.00 175.10 175.73 1a5m s ALA 244 N 0.23 2.43 -0.06 5.51 0.00 -0.66 -1.13 121.76 128.07 1a5m s ALA 244 Ca -0.09 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1a5m s ALA 244 Cb -0.15 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 1a5m s ALA 244 CO 0.05 0.10 -0.11 -1.17 0.00 0.00 0.00 175.76 174.63 1a5m s LEU 245 N 0.61 2.91 -0.37 0.00 2.96 0.48 -0.34 118.68 124.92 1a5m s LEU 245 Ca -0.10 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1a5m s LEU 245 Cb -0.16 -1.61 0.11 0.00 0.50 0.00 0.00 46.19 45.03 1a5m s LEU 245 CO 0.03 0.34 0.14 -2.28 -1.32 0.00 0.00 176.35 173.26 1a5m s HIS 246 N -0.70 2.28 1.11 5.38 5.65 0.32 -1.06 115.29 128.27 1a5m s HIS 246 Ca 0.11 -2.29 -0.15 0.00 0.25 0.00 0.00 55.06 52.98 1a5m s HIS 246 Cb -0.11 -2.07 0.24 0.00 -1.18 0.00 0.00 32.58 29.46 1a5m s HIS 246 CO 0.01 -0.85 1.07 -1.54 -0.65 0.00 0.00 174.74 172.78 1a5m s SER 247 N 0.96 1.63 -0.76 9.88 1.04 -1.26 -2.25 113.70 122.93 1a5m s SER 247 Ca 0.13 1.07 -0.26 0.00 0.48 0.00 0.00 55.95 57.37 1a5m s SER 247 Cb -0.20 -1.64 -0.02 0.00 0.10 0.00 0.00 66.02 64.25 1a5m s SER 247 CO -0.12 -3.74 1.83 -0.62 0.98 0.00 0.00 173.24 171.57 1a5m s ASP 248 N -3.38 5.36 0.20 7.02 2.15 -1.26 -3.72 116.67 123.04 1a5m s ASP 248 Ca 0.67 -0.24 -0.11 0.00 0.43 0.00 0.00 52.55 53.30 1a5m s ASP 248 Cb -0.17 -2.55 0.14 0.00 -0.30 0.00 0.00 42.92 40.04 1a5m s ASP 248 CO 0.59 -2.43 1.85 0.74 -0.17 0.00 0.00 175.17 175.74 1a5m h THR 249 N 6.97 1.20 0.00 1.71 2.02 -1.93 -2.76 112.91 120.13 1a5m h THR 249 Ca -0.09 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1a5m h THR 249 Cb 1.08 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1a5m h THR 249 CO 1.23 0.21 0.00 0.18 0.37 0.00 0.00 175.52 177.51 1a5m n LEU 250 N -4.54 0.27 -2.01 2.58 4.77 -1.26 -2.84 117.00 113.97 1a5m n LEU 250 Ca 0.06 0.61 -0.19 0.00 -0.03 0.00 0.00 56.01 56.46 1a5m n LEU 250 Cb 0.05 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 40.48 1a5m n LEU 250 CO 0.37 -0.61 -0.21 0.59 -1.33 0.00 0.00 177.39 176.20 1a5m n ASN 251 N -1.84 -5.23 -0.30 -1.43 3.02 -1.04 -4.87 115.26 103.56 1a5m n ASN 251 Ca 0.00 0.24 -0.05 0.00 -0.03 0.00 0.00 54.58 54.74 1a5m n ASN 251 Cb 0.07 -4.51 0.07 0.00 -0.61 0.00 0.00 39.78 34.81 1a5m n ASN 251 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1a5m h GLU 252 N 0.00 1.16 -0.00 3.52 4.81 -1.87 -3.07 114.58 119.11 1a5m h GLU 252 Ca -0.42 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 1a5m h GLU 252 Cb 1.29 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1a5m h GLU 252 CO 0.55 0.86 -0.85 -1.13 -0.73 0.00 0.00 179.01 177.72 1a5m n SER 253 N -4.38 1.15 0.00 1.04 3.41 -1.26 -5.06 113.62 108.52 1a5m n SER 253 Ca 0.08 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 1a5m n SER 253 Cb 0.11 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 1a5m n SER 253 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a5m n GLY 254 N 1.45 -2.22 3.05 5.00 0.00 -1.16 -4.94 105.19 106.36 1a5m n GLY 254 Ca 0.05 -1.44 -0.17 0.00 0.00 0.00 0.00 46.02 44.45 1a5m n GLY 254 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a5m n PHE 255 N -1.18 -2.89 -0.29 1.61 3.72 -1.26 -4.25 117.46 112.91 1a5m n PHE 255 Ca 0.00 -1.45 0.08 0.00 -0.05 0.00 0.00 57.45 56.03 1a5m n PHE 255 Cb 0.00 -0.54 0.31 0.00 -0.94 0.00 0.00 39.48 38.31 1a5m n PHE 255 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 1a5m h VAL 256 N -0.40 0.93 0.00 -4.37 3.04 -1.93 -0.85 116.25 112.67 1a5m h VAL 256 Ca -0.25 -0.30 -0.04 0.00 -1.01 0.00 0.00 66.70 65.10 1a5m h VAL 256 Cb 0.96 -0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.23 1a5m h VAL 256 CO 0.28 0.16 -0.21 1.05 -1.01 0.00 0.00 177.57 177.85 1a5m h GLU 257 N 0.86 0.00 -0.21 4.17 9.09 -1.97 0.07 114.58 126.59 1a5m h GLU 257 Ca 0.43 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.63 1a5m h GLU 257 Cb 0.48 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.59 1a5m h GLU 257 CO -0.20 0.21 -0.68 -0.44 0.05 0.00 0.00 179.01 177.95 1a5m h ASP 258 N 0.00 0.97 -0.19 3.06 3.32 -1.52 -1.36 116.42 120.70 1a5m h ASP 258 Ca -0.00 -0.59 -0.02 0.00 0.02 0.00 0.00 57.03 56.44 1a5m h ASP 258 Cb 0.37 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1a5m h ASP 258 CO 0.03 1.39 0.05 0.74 -1.72 0.00 0.00 179.24 179.72 1a5m h THR 259 N 0.60 1.20 -0.65 0.35 2.02 -1.01 -0.39 112.91 115.03 1a5m h THR 259 Ca -0.02 -0.64 0.03 0.00 0.77 0.00 0.00 66.41 66.55 1a5m h THR 259 Cb 1.30 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 68.94 1a5m h THR 259 CO 0.14 0.20 0.43 -0.07 0.37 0.00 0.00 175.52 176.59 1a5m h LEU 260 N 0.13 0.67 -0.34 2.58 3.38 -0.99 -0.06 115.31 120.68 1a5m h LEU 260 Ca 0.06 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1a5m h LEU 260 Cb 0.26 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1a5m h LEU 260 CO 0.00 0.46 -0.03 0.00 0.09 0.00 0.00 178.44 178.96 1a5m h ALA 261 N 1.62 0.46 -0.87 1.53 0.00 -0.85 -2.51 119.26 118.62 1a5m h ALA 261 Ca 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1a5m h ALA 261 Cb 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1a5m h ALA 261 CO -0.07 0.25 0.47 0.00 0.00 0.00 0.00 179.25 179.90 1a5m h ALA 262 N 0.84 1.18 -0.39 0.00 0.00 0.05 -1.41 119.26 119.52 1a5m h ALA 262 Ca 0.09 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1a5m h ALA 262 Cb 0.50 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1a5m h ALA 262 CO 0.02 0.65 0.26 0.82 0.00 0.00 0.00 179.25 181.01 1a5m h ILE 263 N 1.23 1.09 -6.19 0.00 2.04 -0.84 -3.42 117.51 111.42 1a5m h ILE 263 Ca 0.31 -0.18 -0.45 0.00 1.00 0.00 0.00 64.86 65.54 1a5m h ILE 263 Cb 0.04 0.53 0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1a5m h ILE 263 CO -0.05 0.09 -0.75 0.61 0.00 0.00 0.00 178.15 178.06 1a5m n GLY 264 N -1.48 -0.49 2.39 5.37 0.00 -0.53 -2.28 105.19 108.17 1a5m n GLY 264 Ca 0.03 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 1a5m n GLY 264 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5m n GLY 265 N -1.74 0.49 3.87 -0.02 0.00 -1.26 -5.01 105.19 101.51 1a5m n GLY 265 Ca 0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1a5m n GLY 265 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5m s ARG 266 N -1.37 3.86 0.24 1.61 0.52 -0.97 -4.80 118.95 118.05 1a5m s ARG 266 Ca 0.00 0.41 -0.31 0.00 -0.52 0.00 0.00 55.73 55.31 1a5m s ARG 266 Cb 0.00 -2.55 -0.11 0.00 0.52 0.00 0.00 34.95 32.80 1a5m s ARG 266 CO 0.00 0.23 1.64 0.99 0.02 0.00 0.00 175.30 178.19 1a5m s THR 267 N -1.92 2.11 -0.16 0.02 2.01 -1.26 -4.78 115.64 111.66 1a5m s THR 267 Ca 0.50 0.09 -0.24 0.00 0.31 0.00 0.00 61.69 62.34 1a5m s THR 267 Cb -0.11 -3.06 0.06 0.00 0.01 0.00 0.00 72.50 69.41 1a5m s THR 267 CO 0.21 0.01 0.63 -0.51 -0.69 0.00 0.00 174.62 174.27 1a5m s ILE 268 N 0.60 0.00 -0.34 1.82 2.07 -0.91 -4.73 121.20 119.73 1a5m s ILE 268 Ca 0.69 -0.04 -0.13 0.00 -1.41 0.00 0.00 60.65 59.76 1a5m s ILE 268 Cb -0.48 -0.91 -0.02 0.00 0.13 0.00 0.00 42.46 41.18 1a5m s ILE 268 CO 0.39 -0.02 0.26 -2.28 -1.91 0.00 0.00 174.94 171.38 1a5m s HIS 269 N -0.27 3.23 -0.20 3.50 5.65 -0.28 -1.27 115.29 125.64 1a5m s HIS 269 Ca -0.05 -0.15 -0.20 0.00 0.25 0.00 0.00 55.06 54.92 1a5m s HIS 269 Cb -0.03 -2.50 -0.03 0.00 -1.18 0.00 0.00 32.58 28.84 1a5m s HIS 269 CO 0.04 -0.35 0.60 0.95 -0.65 0.00 0.00 174.74 175.32 1a5m s THR 270 N 1.78 5.04 0.41 0.89 -4.23 -0.43 -0.39 115.64 118.70 1a5m s THR 270 Ca 0.07 1.12 -0.22 0.00 -1.18 0.00 0.00 61.69 61.47 1a5m s THR 270 Cb -0.17 -3.91 -0.10 0.00 1.34 0.00 0.00 72.50 69.65 1a5m s THR 270 CO 0.11 0.12 0.97 -0.36 -0.54 0.00 0.00 174.62 174.92 1a5m s PHE 271 N 1.90 3.36 -0.41 3.99 0.08 -0.23 -2.22 117.98 124.44 1a5m s PHE 271 Ca 0.27 1.65 -0.08 0.00 0.12 0.00 0.00 56.93 58.88 1a5m s PHE 271 Cb -0.16 -2.92 0.01 0.00 -0.57 0.00 0.00 43.02 39.39 1a5m s PHE 271 CO 0.10 -0.17 0.25 -2.39 -0.10 0.00 0.00 175.22 172.91 1a5m n HIS 272 N -0.36 -0.63 0.28 0.36 1.44 -1.08 -4.75 115.22 110.49 1a5m n HIS 272 Ca 0.06 0.13 0.16 0.00 -2.01 0.00 0.00 57.72 56.07 1a5m n HIS 272 Cb 0.53 -1.06 0.88 0.00 0.12 0.00 0.00 29.99 30.45 1a5m n HIS 272 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 1a5m h THR 273 N 0.73 0.00 -0.01 0.61 2.02 -1.40 -1.27 112.91 113.58 1a5m h THR 273 Ca -0.27 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.80 1a5m h THR 273 Cb 0.55 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1a5m h THR 273 CO 0.18 0.00 -0.53 -0.08 0.37 0.00 0.00 175.52 175.46 1a5m h GLU 274 N 0.00 0.04 0.00 6.66 4.22 -1.85 -2.38 114.58 121.26 1a5m h GLU 274 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1a5m h GLU 274 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1a5m h GLU 274 CO 0.00 0.56 0.00 0.41 -2.18 0.00 0.00 179.01 177.80 1a5m n GLY 275 N 0.01 1.62 0.31 1.92 0.00 -0.48 -4.47 105.19 104.11 1a5m n GLY 275 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1a5m n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5m h ALA 276 N 0.00 1.20 0.00 4.61 0.00 -1.81 0.19 119.26 123.45 1a5m h ALA 276 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1a5m h ALA 276 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1a5m h ALA 276 CO 0.00 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1a5m n GLY 277 N -1.32 -1.19 0.00 0.00 0.00 -1.26 -4.83 105.19 96.58 1a5m n GLY 277 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1a5m n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5m n GLY 278 N 0.92 4.56 0.00 -0.02 0.00 0.66 -5.01 105.19 106.30 1a5m n GLY 278 Ca 0.10 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1a5m n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5m n GLY 279 N -1.50 4.15 3.73 -0.02 0.00 -1.24 -4.41 105.19 105.89 1a5m n GLY 279 Ca 0.00 -1.40 -0.65 0.00 0.00 0.00 0.00 46.02 43.97 1a5m n GLY 279 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a5m n HIS 280 N -1.82 1.80 -3.20 1.61 8.25 -1.23 -3.93 115.22 116.70 1a5m n HIS 280 Ca 0.00 1.00 -0.39 0.00 -0.26 0.00 0.00 57.72 58.08 1a5m n HIS 280 Cb 0.00 -2.28 -0.05 0.00 1.12 0.00 0.00 29.99 28.78 1a5m n HIS 280 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a5m s ALA 281 N 3.04 3.44 -0.50 -1.41 0.00 -1.13 -1.56 121.76 123.64 1a5m s ALA 281 Ca 1.03 -0.02 0.13 0.00 0.00 0.00 0.00 51.96 53.10 1a5m s ALA 281 Cb -1.39 -2.77 0.37 0.00 0.00 0.00 0.00 23.12 19.32 1a5m s ALA 281 CO 0.77 0.03 1.29 -0.35 0.00 0.00 0.00 175.76 177.50 1a5m n PRO 282 N 3.38 2.80 -0.73 0.00 -0.04 -1.26 -4.93 135.00 134.23 1a5m n PRO 282 Ca -0.05 -2.35 -0.02 0.00 -0.04 0.00 0.00 63.50 61.04 1a5m n PRO 282 Cb 0.51 -1.49 0.22 0.00 -0.04 0.00 0.00 33.50 32.70 1a5m n PRO 282 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1a5m n ASP 283 N -0.11 3.07 0.29 3.54 5.68 -1.09 -4.64 116.55 123.30 1a5m n ASP 283 Ca 0.15 -3.51 0.14 0.00 -0.50 0.00 0.00 54.79 51.07 1a5m n ASP 283 Cb 0.61 -0.62 0.87 0.00 -1.14 0.00 0.00 41.12 40.84 1a5m n ASP 283 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1a5m h ILE 284 N 1.28 0.58 -0.03 2.12 6.09 -1.56 -2.06 117.51 123.94 1a5m h ILE 284 Ca 0.18 -0.07 0.01 0.00 -1.37 0.00 0.00 64.86 63.61 1a5m h ILE 284 Cb 1.70 1.04 -0.00 0.00 0.47 0.00 0.00 36.82 40.03 1a5m h ILE 284 CO 0.40 0.02 0.10 -0.29 -3.07 0.00 0.00 178.15 175.30 1a5m h ILE 285 N 0.00 0.16 0.00 2.19 2.10 -1.65 -1.93 117.51 118.39 1a5m h ILE 285 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1a5m h ILE 285 Cb 0.04 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 36.68 1a5m h ILE 285 CO 0.00 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.42 1a5m n THR 286 N -3.29 1.08 0.24 2.19 -2.24 -0.77 -3.09 114.28 108.40 1a5m n THR 286 Ca -0.02 0.27 0.07 0.00 -2.27 0.00 0.00 64.05 62.11 1a5m n THR 286 Cb 0.17 -1.06 0.58 0.00 -2.10 0.00 0.00 70.33 67.93 1a5m n THR 286 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5m h ALA 287 N 2.44 1.75 0.00 6.98 0.00 -1.58 -2.97 119.26 125.88 1a5m h ALA 287 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1a5m h ALA 287 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1a5m h ALA 287 CO 0.00 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1a5m n ALA 289 N -1.05 3.02 -2.26 0.00 0.00 -1.12 -4.31 120.51 114.79 1a5m n ALA 289 Ca 0.04 -0.28 -0.38 0.00 0.00 0.00 0.00 53.44 52.82 1a5m n ALA 289 Cb 0.02 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.28 1a5m n ALA 289 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1a5m s HIS 290 N -3.17 3.76 0.38 0.00 3.76 -0.73 -4.65 115.29 114.64 1a5m s HIS 290 Ca 0.06 1.26 0.10 0.00 -0.15 0.00 0.00 55.06 56.33 1a5m s HIS 290 Cb 0.14 -2.50 0.75 0.00 1.11 0.00 0.00 32.58 32.08 1a5m s HIS 290 CO 0.74 0.53 1.87 -1.00 -0.85 0.00 0.00 174.74 176.03 1a5m h PRO 291 N 4.24 0.16 -0.01 8.40 0.13 -1.91 -2.96 132.00 140.05 1a5m h PRO 291 Ca -0.49 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1a5m h PRO 291 Cb 1.21 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1a5m h PRO 291 CO 0.64 0.39 -0.14 0.27 -0.23 0.00 0.00 178.00 178.92 1a5m n ASN 292 N -4.20 0.74 -4.69 1.44 6.94 -1.26 -0.16 115.26 114.07 1a5m n ASN 292 Ca -0.01 -0.79 -0.37 0.00 -0.02 0.00 0.00 54.58 53.39 1a5m n ASN 292 Cb 0.33 0.01 -0.08 0.00 -2.36 0.00 0.00 39.78 37.68 1a5m n ASN 292 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1a5m s ILE 293 N -2.42 5.28 -0.51 1.53 -1.09 -1.12 -2.14 121.20 120.72 1a5m s ILE 293 Ca 0.29 0.53 -0.07 0.00 -2.23 0.00 0.00 60.65 59.17 1a5m s ILE 293 Cb 0.20 -3.64 0.13 0.00 -1.58 0.00 0.00 42.46 37.57 1a5m s ILE 293 CO 0.47 0.33 0.36 -0.76 -1.23 0.00 0.00 174.94 174.11 1a5m s LEU 294 N 0.91 5.60 0.10 2.97 1.43 -0.39 -4.29 118.68 125.00 1a5m s LEU 294 Ca 0.15 -2.17 -0.23 0.00 -1.03 0.00 0.00 54.13 50.85 1a5m s LEU 294 Cb -0.14 -1.96 -0.07 0.00 0.03 0.00 0.00 46.19 44.06 1a5m s LEU 294 CO 0.05 -0.59 0.69 -2.16 0.23 0.00 0.00 176.35 174.57 1a5m s PRO 295 N 0.96 4.42 0.12 1.29 0.04 -1.26 -1.32 135.00 139.25 1a5m s PRO 295 Ca 0.09 0.97 0.01 0.00 0.04 0.00 0.00 61.00 62.12 1a5m s PRO 295 Cb -0.23 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 1a5m s PRO 295 CO -0.03 0.52 -0.03 -1.54 0.04 0.00 0.00 177.00 175.96 1a5m s SER 296 N -0.84 1.03 0.19 6.66 1.04 -0.94 -1.99 113.70 118.85 1a5m s SER 296 Ca 0.34 -1.07 0.10 0.00 0.48 0.00 0.00 55.95 55.80 1a5m s SER 296 Cb -0.21 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 1a5m s SER 296 CO 0.23 -0.53 -0.18 -0.44 0.98 0.00 0.00 173.24 173.30 1a5m s SER 297 N -3.07 3.80 0.12 7.02 0.01 -0.53 -1.34 113.70 119.71 1a5m s SER 297 Ca 0.16 -0.74 0.02 0.00 1.31 0.00 0.00 55.95 56.70 1a5m s SER 297 Cb 0.06 -0.46 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 1a5m s SER 297 CO -0.02 0.11 0.24 0.42 0.41 0.00 0.00 173.24 174.41 1a5m s THR 298 N -1.70 5.28 -0.06 1.44 -4.23 -1.26 -0.31 115.64 114.80 1a5m s THR 298 Ca 0.23 -0.61 0.28 0.00 -1.18 0.00 0.00 61.69 60.41 1a5m s THR 298 Cb -0.08 -3.66 0.33 0.00 1.34 0.00 0.00 72.50 70.42 1a5m s THR 298 CO 0.12 -0.01 1.82 -0.55 -0.54 0.00 0.00 174.62 175.47 1a5m h ASN 299 N 2.51 0.00 0.11 3.99 7.08 -1.05 -3.34 115.58 124.88 1a5m h ASN 299 Ca -0.47 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.75 1a5m h ASN 299 Cb 1.18 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.42 1a5m h ASN 299 CO 0.71 0.07 0.00 1.55 -2.08 0.00 0.00 177.43 177.68 1a5m h PRO 300 N 0.00 0.00 -0.05 4.14 0.13 -1.82 -0.61 132.00 133.79 1a5m h PRO 300 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1a5m h PRO 300 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1a5m h PRO 300 CO 0.01 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.03 1a5m n THR 301 N -2.87 0.03 -3.78 1.56 -2.24 -1.25 -4.85 114.28 100.87 1a5m n THR 301 Ca -0.02 -0.46 -0.37 0.00 -2.27 0.00 0.00 64.05 60.93 1a5m n THR 301 Cb 0.09 1.25 -0.13 0.00 -2.10 0.00 0.00 70.33 69.44 1a5m n THR 301 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1a5m s LEU 302 N -1.96 3.85 0.45 3.22 1.43 -0.24 -3.22 118.68 122.21 1a5m s LEU 302 Ca 0.31 -0.79 0.08 0.00 -1.03 0.00 0.00 54.13 52.69 1a5m s LEU 302 Cb 0.20 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1a5m s LEU 302 CO 0.31 -0.21 0.54 -2.16 0.23 0.00 0.00 176.35 175.07 1a5m s PRO 303 N 1.46 2.62 -0.13 1.29 0.04 -1.26 -4.82 135.00 134.20 1a5m s PRO 303 Ca 0.02 -1.44 -0.29 0.00 0.04 0.00 0.00 61.00 59.33 1a5m s PRO 303 Cb -0.17 -2.59 -0.06 0.00 0.04 0.00 0.00 34.50 31.71 1a5m s PRO 303 CO 0.02 -0.37 2.00 -0.47 0.04 0.00 0.00 177.00 178.22 1a5m s TYR 304 N -2.47 1.40 0.42 0.56 5.04 -1.20 -4.94 117.35 116.16 1a5m s TYR 304 Ca 0.53 0.18 0.03 0.00 -2.44 0.00 0.00 57.07 55.37 1a5m s TYR 304 Cb -0.07 -4.06 -0.03 0.00 0.35 0.00 0.00 41.96 38.16 1a5m s TYR 304 CO 0.32 -4.39 0.09 0.95 -1.34 0.00 0.00 175.55 171.19 1a5m s THR 305 N 6.27 0.81 0.46 4.34 -4.23 -1.26 -1.43 115.64 120.60 1a5m s THR 305 Ca 0.90 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.53 1a5m s THR 305 Cb -0.35 -2.38 0.28 0.00 1.34 0.00 0.00 72.50 71.39 1a5m s THR 305 CO 0.36 0.00 2.09 -0.07 -0.54 0.00 0.00 174.62 176.46 1a5m h LEU 306 N 1.74 0.25 -0.85 4.79 3.38 -1.11 -3.05 115.31 120.45 1a5m h LEU 306 Ca -0.38 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1a5m h LEU 306 Cb 1.28 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1a5m h LEU 306 CO 0.62 0.17 -0.50 0.59 0.09 0.00 0.00 178.44 179.42 1a5m n ASN 307 N -4.50 1.82 -0.05 -0.43 3.02 -1.26 -4.66 115.26 109.20 1a5m n ASN 307 Ca 0.01 -1.39 -0.11 0.00 -0.03 0.00 0.00 54.58 53.06 1a5m n ASN 307 Cb 0.11 0.48 -0.06 0.00 -0.61 0.00 0.00 39.78 39.70 1a5m n ASN 307 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1a5m h THR 308 N 2.08 0.13 0.25 3.41 2.02 -1.91 -2.75 112.91 116.14 1a5m h THR 308 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1a5m h THR 308 Cb 0.71 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1a5m h THR 308 CO 0.00 0.00 -0.12 0.40 0.37 0.00 0.00 175.52 176.17 1a5m h ILE 309 N -0.42 0.76 -0.95 3.11 1.08 -1.83 -2.92 117.51 116.34 1a5m h ILE 309 Ca 0.10 -0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.75 1a5m h ILE 309 Cb 0.61 0.76 -0.11 0.00 -3.07 0.00 0.00 36.82 35.01 1a5m h ILE 309 CO -0.47 0.00 0.54 0.44 -0.69 0.00 0.00 178.15 177.97 1a5m h ASP 310 N -0.33 0.66 0.19 1.72 3.32 -1.85 -1.99 116.42 118.14 1a5m h ASP 310 Ca -0.03 0.11 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 1a5m h ASP 310 Cb 0.25 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1a5m h ASP 310 CO 0.06 0.22 -0.48 -0.08 -1.72 0.00 0.00 179.24 177.23 1a5m h GLU 311 N 0.67 0.34 -0.76 3.56 4.81 -1.41 -3.38 114.58 118.40 1a5m h GLU 311 Ca 0.55 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 1a5m h GLU 311 Cb 0.87 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 1a5m h GLU 311 CO -0.40 0.75 0.30 0.45 -0.73 0.00 0.00 179.01 179.38 1a5m h HIS 312 N 0.27 1.16 -0.14 0.92 3.86 -1.16 -3.30 115.15 116.76 1a5m h HIS 312 Ca 0.01 -0.09 0.05 0.00 -1.16 0.00 0.00 60.37 59.19 1a5m h HIS 312 Cb 0.95 -0.35 -0.05 0.00 1.06 0.00 0.00 27.41 29.02 1a5m h HIS 312 CO 0.02 0.88 -0.19 1.25 0.86 0.00 0.00 177.93 180.75 1a5m h LEU 313 N 1.11 -0.60 -0.82 2.43 5.85 -1.75 -1.26 115.31 120.27 1a5m h LEU 313 Ca 0.25 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.96 1a5m h LEU 313 Cb 0.22 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1a5m h LEU 313 CO -0.02 -0.24 -0.58 0.44 -0.34 0.00 0.00 178.44 177.70 1a5m h ASP 314 N -0.24 0.05 -0.24 1.25 3.32 -1.86 -2.81 116.42 115.89 1a5m h ASP 314 Ca 0.10 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1a5m h ASP 314 Cb 0.39 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1a5m h ASP 314 CO -0.28 0.61 0.05 -0.03 -1.72 0.00 0.00 179.24 177.87 1a5m h MET 315 N 0.03 0.39 -0.12 3.56 4.05 -1.58 -2.79 114.93 118.47 1a5m h MET 315 Ca -0.01 -0.10 0.03 0.00 -0.28 0.00 0.00 59.70 59.35 1a5m h MET 315 Cb 1.03 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.75 1a5m h MET 315 CO 0.08 0.50 -0.08 1.25 0.23 0.00 0.00 176.91 178.89 1a5m h LEU 316 N 0.21 -0.25 0.21 3.39 7.12 -1.04 -2.71 115.31 122.23 1a5m h LEU 316 Ca 0.07 0.06 0.01 0.00 0.13 0.00 0.00 57.88 58.15 1a5m h LEU 316 Cb 0.29 0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.52 1a5m h LEU 316 CO 0.00 -0.11 -0.36 0.24 -0.13 0.00 0.00 178.44 178.09 1a5m h MET 317 N -0.08 -0.62 -0.70 1.25 2.86 -1.42 -2.52 114.93 113.70 1a5m h MET 317 Ca 0.07 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.79 1a5m h MET 317 Cb 0.19 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 1a5m h MET 317 CO -0.17 -0.41 0.43 0.28 1.06 0.00 0.00 176.91 178.10 1a5m h VAL 318 N -0.64 1.06 0.58 -2.22 2.07 -1.47 -1.62 116.25 114.02 1a5m h VAL 318 Ca 0.01 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1a5m h VAL 318 Cb 0.63 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1a5m h VAL 318 CO -0.16 0.15 -0.28 0.00 0.02 0.00 0.00 177.57 177.30 1a5m n HIS 320 N -5.43 0.41 -3.66 0.00 -0.00 -0.96 -3.98 115.22 101.60 1a5m n HIS 320 Ca -0.13 -0.19 -0.24 0.00 -0.00 0.00 0.00 57.72 57.16 1a5m n HIS 320 Cb 0.32 -0.04 0.07 0.00 -0.00 0.00 0.00 29.99 30.34 1a5m n HIS 320 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1a5m n HIS 321 N 0.25 -2.63 -2.68 4.41 8.25 -0.78 -4.99 115.22 117.04 1a5m n HIS 321 Ca 0.09 0.98 -0.26 0.00 -0.26 0.00 0.00 57.72 58.26 1a5m n HIS 321 Cb 0.28 -4.78 0.01 0.00 1.12 0.00 0.00 29.99 26.62 1a5m n HIS 321 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1a5m s LEU 322 N -7.16 3.58 -0.26 2.41 1.43 -0.68 -5.05 118.68 112.95 1a5m s LEU 322 Ca 0.51 0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 54.35 1a5m s LEU 322 Cb -0.23 -3.68 0.02 0.00 0.03 0.00 0.00 46.19 42.32 1a5m s LEU 322 CO 0.76 -0.67 -0.03 -0.62 0.23 0.00 0.00 176.35 176.01 1a5m s ASP 323 N -4.16 4.48 0.29 2.29 -1.08 -1.26 -4.77 116.67 112.46 1a5m s ASP 323 Ca 0.48 -0.80 0.22 0.00 -0.52 0.00 0.00 52.55 51.93 1a5m s ASP 323 Cb -0.10 -1.71 1.08 0.00 -1.46 0.00 0.00 42.92 40.72 1a5m s ASP 323 CO 0.43 -0.13 1.66 -0.81 0.52 0.00 0.00 175.17 176.84 1a5m n PRO 324 N 4.72 0.15 0.00 4.34 -0.04 -1.26 -0.85 135.00 142.06 1a5m n PRO 324 Ca -0.16 0.56 0.13 0.00 -0.04 0.00 0.00 63.50 63.99 1a5m n PRO 324 Cb 0.47 -1.92 0.30 0.00 -0.04 0.00 0.00 33.50 32.32 1a5m n PRO 324 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1a5m n ASP 325 N -2.23 1.58 -4.34 3.54 8.00 -1.26 -4.74 116.55 117.10 1a5m n ASP 325 Ca -0.00 -1.29 -0.41 0.00 0.71 0.00 0.00 54.79 53.80 1a5m n ASP 325 Cb 0.10 0.16 -0.10 0.00 -0.02 0.00 0.00 41.12 41.26 1a5m n ASP 325 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a5m s ILE 326 N -2.32 4.48 0.27 0.53 1.01 -0.03 -4.98 121.20 120.16 1a5m s ILE 326 Ca 0.27 -1.07 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 1a5m s ILE 326 Cb 0.19 -3.60 0.40 0.00 0.01 0.00 0.00 42.46 39.46 1a5m s ILE 326 CO 0.46 -0.35 1.58 0.00 0.00 0.00 0.00 174.94 176.63 1a5m h ALA 327 N 8.45 0.75 -0.07 9.38 0.00 -1.85 0.20 119.26 136.12 1a5m h ALA 327 Ca -0.25 0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1a5m h ALA 327 Cb 1.10 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1a5m h ALA 327 CO 0.71 -0.43 -0.12 0.93 0.00 0.00 0.00 179.25 180.34 1a5m h GLU 328 N 0.01 0.10 -0.23 0.00 3.07 -1.93 -0.97 114.58 114.63 1a5m h GLU 328 Ca 0.47 -0.02 -0.20 0.00 -0.50 0.00 0.00 59.36 59.12 1a5m h GLU 328 Cb 0.80 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1a5m h GLU 328 CO -0.91 0.22 -0.64 -0.44 -1.40 0.00 0.00 179.01 175.85 1a5m h ASP 329 N 0.10 0.92 0.65 1.42 5.19 -0.86 -2.76 116.42 121.09 1a5m h ASP 329 Ca 0.02 -0.54 -0.18 0.00 -0.62 0.00 0.00 57.03 55.71 1a5m h ASP 329 Cb 0.27 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 1a5m h ASP 329 CO 0.02 1.33 -0.83 -0.37 -3.12 0.00 0.00 179.24 176.27 1a5m h VAL 330 N 0.60 1.52 -0.49 -1.35 -1.51 -1.00 -2.71 116.25 111.31 1a5m h VAL 330 Ca -0.01 -2.62 -0.11 0.00 -1.23 0.00 0.00 66.70 62.73 1a5m h VAL 330 Cb 1.25 2.44 -0.02 0.00 -2.13 0.00 0.00 31.29 32.83 1a5m h VAL 330 CO 0.13 0.76 -0.12 0.00 -1.23 0.00 0.00 177.57 177.11 1a5m h ALA 331 N 1.08 0.68 0.00 5.19 0.00 -1.21 -1.36 119.26 123.64 1a5m h ALA 331 Ca -0.03 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 1a5m h ALA 331 Cb 1.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1a5m h ALA 331 CO 0.12 0.59 -0.42 0.35 0.00 0.00 0.00 179.25 179.89 1a5m h PHE 332 N 0.80 0.00 -0.08 0.00 3.57 -1.51 -1.15 116.94 118.58 1a5m h PHE 332 Ca 0.12 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 1a5m h PHE 332 Cb 0.68 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.43 1a5m h PHE 332 CO 0.05 0.42 -0.21 0.00 -2.23 0.00 0.00 178.31 176.34 1a5m h ALA 333 N 1.58 0.14 -0.30 2.41 0.00 -1.17 -3.19 119.26 118.72 1a5m h ALA 333 Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1a5m h ALA 333 Cb 0.82 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1a5m h ALA 333 CO 0.05 0.09 0.02 0.93 0.00 0.00 0.00 179.25 180.35 1a5m h GLU 334 N -0.19 0.45 0.00 0.00 5.08 -1.02 -1.73 114.58 117.16 1a5m h GLU 334 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1a5m h GLU 334 Cb 0.81 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1a5m h GLU 334 CO 0.04 0.46 0.00 -1.13 -1.00 0.00 0.00 179.01 177.38 1a5m n SER 335 N -4.32 0.00 -0.01 1.42 3.41 -0.45 -2.60 113.62 111.06 1a5m n SER 335 Ca 0.01 0.38 -0.01 0.00 -0.26 0.00 0.00 58.87 59.00 1a5m n SER 335 Cb 0.21 -0.44 -0.12 0.00 -0.26 0.00 0.00 64.21 63.60 1a5m n SER 335 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1a5m n ARG 336 N -1.44 0.64 -3.26 4.33 1.74 -0.65 -4.78 116.66 113.25 1a5m n ARG 336 Ca 0.04 0.10 -0.46 0.00 -0.77 0.00 0.00 57.85 56.76 1a5m n ARG 336 Cb 0.15 -1.69 -0.04 0.00 -1.02 0.00 0.00 32.46 29.86 1a5m n ARG 336 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a5m s ILE 337 N -2.90 5.20 -0.18 0.55 1.01 -1.07 -3.55 121.20 120.26 1a5m s ILE 337 Ca -0.06 -1.61 0.01 0.00 0.00 0.00 0.00 60.65 58.99 1a5m s ILE 337 Cb 0.09 -4.42 0.02 0.00 0.01 0.00 0.00 42.46 38.16 1a5m s ILE 337 CO 0.83 -0.99 -0.20 -0.13 0.00 0.00 0.00 174.94 174.46 1a5m s ARG 338 N 1.56 3.01 0.30 2.79 0.52 -1.26 -4.99 118.95 120.87 1a5m s ARG 338 Ca 0.09 -0.82 0.03 0.00 -0.52 0.00 0.00 55.73 54.51 1a5m s ARG 338 Cb -0.23 -2.57 0.60 0.00 0.52 0.00 0.00 34.95 33.27 1a5m s ARG 338 CO 0.01 -0.18 1.85 -0.09 0.02 0.00 0.00 175.30 176.90 1a5m h ARG 339 N 7.87 0.91 -0.08 3.54 2.43 -1.98 -1.98 114.38 125.09 1a5m h ARG 339 Ca -0.44 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 58.70 1a5m h ARG 339 Cb 1.15 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 1a5m h ARG 339 CO 0.63 0.60 -0.10 0.93 -1.51 0.00 0.00 179.97 180.52 1a5m h GLU 340 N 0.94 -0.13 -0.05 0.20 3.07 -1.92 -1.43 114.58 115.26 1a5m h GLU 340 Ca 0.47 0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 59.16 1a5m h GLU 340 Cb 0.50 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1a5m h GLU 340 CO -0.24 -0.09 -0.74 1.79 -1.40 0.00 0.00 179.01 178.34 1a5m h THR 341 N -0.13 1.42 -0.32 1.13 1.35 -1.69 -2.81 112.91 111.85 1a5m h THR 341 Ca 0.07 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.69 1a5m h THR 341 Cb 0.23 2.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.83 1a5m h THR 341 CO -0.17 0.66 0.21 0.40 -0.25 0.00 0.00 175.52 176.38 1a5m h ILE 342 N 0.19 1.09 -0.60 6.82 2.04 -1.09 -1.84 117.51 124.12 1a5m h ILE 342 Ca -0.03 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.55 1a5m h ILE 342 Cb 1.31 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1a5m h ILE 342 CO 0.12 0.09 -0.02 0.00 0.00 0.00 0.00 178.15 178.34 1a5m h ALA 343 N 1.11 0.83 -0.42 1.87 0.00 -1.29 -3.13 119.26 118.22 1a5m h ALA 343 Ca 0.12 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1a5m h ALA 343 Cb -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1a5m h ALA 343 CO -0.02 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.85 1a5m h ALA 344 N 0.99 1.12 -0.84 0.00 0.00 -1.31 -3.16 119.26 116.05 1a5m h ALA 344 Ca 0.17 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 54.96 1a5m h ALA 344 Cb 0.58 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 1a5m h ALA 344 CO 0.03 0.56 0.42 1.49 0.00 0.00 0.00 179.25 181.75 1a5m h GLU 345 N 0.66 0.56 -0.88 0.00 4.81 -1.27 -0.82 114.58 117.65 1a5m h GLU 345 Ca 0.13 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1a5m h GLU 345 Cb 0.48 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1a5m h GLU 345 CO 0.02 0.37 0.50 -0.44 -0.73 0.00 0.00 179.01 178.74 1a5m h ASP 346 N 0.58 1.07 -0.23 1.04 5.19 -1.66 -1.77 116.42 120.65 1a5m h ASP 346 Ca 0.46 -0.08 -0.11 0.00 -0.62 0.00 0.00 57.03 56.68 1a5m h ASP 346 Cb 0.68 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.92 1a5m h ASP 346 CO -0.38 0.84 -0.30 0.58 -3.12 0.00 0.00 179.24 176.86 1a5m h VAL 347 N 1.21 1.32 -0.02 -1.35 2.07 -1.40 -2.49 116.25 115.59 1a5m h VAL 347 Ca 0.31 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 1a5m h VAL 347 Cb -0.01 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1a5m h VAL 347 CO -0.05 0.47 -0.01 -0.07 0.02 0.00 0.00 177.57 177.92 1a5m h LEU 348 N 0.30 0.02 -0.13 2.57 3.38 -0.94 -0.15 115.31 120.36 1a5m h LEU 348 Ca 0.03 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1a5m h LEU 348 Cb 0.88 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1a5m h LEU 348 CO 0.07 0.04 -0.21 0.45 0.09 0.00 0.00 178.44 178.87 1a5m h HIS 349 N 0.03 0.46 -0.15 1.13 3.86 -1.19 0.28 115.15 119.57 1a5m h HIS 349 Ca 0.01 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 1a5m h HIS 349 Cb 0.04 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1a5m h HIS 349 CO 0.00 0.83 0.05 0.22 0.86 0.00 0.00 177.93 179.88 1a5m h ASP 350 N -0.04 0.18 1.28 2.45 3.58 -0.79 -1.30 116.42 121.79 1a5m h ASP 350 Ca 0.01 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1a5m h ASP 350 Cb 0.79 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.80 1a5m h ASP 350 CO 0.05 0.18 -0.34 -0.07 -2.88 0.00 0.00 179.24 176.18 1a5m h LEU 351 N 0.20 0.00 0.00 2.28 3.38 -1.02 -3.48 115.31 116.67 1a5m h LEU 351 Ca 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1a5m h LEU 351 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1a5m h LEU 351 CO -0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1a5m n GLY 352 N 1.27 0.76 0.10 0.83 0.00 -0.49 -4.68 105.19 102.98 1a5m n GLY 352 Ca 0.04 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1a5m n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5m h ALA 353 N 0.00 0.32 -3.25 4.61 0.00 -0.67 -2.39 119.26 117.88 1a5m h ALA 353 Ca 0.00 -0.83 -0.61 0.00 0.00 0.00 0.00 54.91 53.47 1a5m h ALA 353 Cb 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.58 1a5m h ALA 353 CO 0.00 1.02 -0.54 -0.06 0.00 0.00 0.00 179.25 179.66 1a5m s PHE 354 N -2.88 3.29 -0.40 0.00 0.40 -1.06 -4.83 117.98 112.51 1a5m s PHE 354 Ca -0.02 0.14 0.18 0.00 -0.60 0.00 0.00 56.93 56.62 1a5m s PHE 354 Cb 0.09 -2.12 -0.24 0.00 0.51 0.00 0.00 43.02 41.26 1a5m s PHE 354 CO 0.85 0.17 0.56 0.43 0.70 0.00 0.00 175.22 177.93 1a5m n SER 355 N 3.63 0.83 -4.16 1.36 7.64 -0.84 -4.66 113.62 117.41 1a5m n SER 355 Ca -0.16 -0.42 -0.11 0.00 1.01 0.00 0.00 58.87 59.19 1a5m n SER 355 Cb 0.52 1.45 -0.10 0.00 -1.01 0.00 0.00 64.21 65.07 1a5m n SER 355 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a5m s LEU 356 N -3.61 2.49 0.02 -3.43 1.02 -0.97 -4.25 118.68 109.95 1a5m s LEU 356 Ca -0.01 -0.96 0.05 0.00 0.02 0.00 0.00 54.13 53.24 1a5m s LEU 356 Cb 0.12 -0.10 -0.02 0.00 0.02 0.00 0.00 46.19 46.22 1a5m s LEU 356 CO 0.74 -0.43 -0.15 0.42 0.02 0.00 0.00 176.35 176.95 1a5m s THR 357 N -3.37 1.22 0.34 5.49 -4.23 -1.06 -1.45 115.64 112.57 1a5m s THR 357 Ca 0.10 -0.90 -0.03 0.00 -1.18 0.00 0.00 61.69 59.68 1a5m s THR 357 Cb 0.04 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.82 1a5m s THR 357 CO -0.04 0.15 0.48 -0.94 -0.54 0.00 0.00 174.62 173.73 1a5m s SER 358 N -0.86 0.90 -0.07 3.99 1.04 0.57 -4.69 113.70 114.58 1a5m s SER 358 Ca 0.04 -1.48 -0.06 0.00 0.48 0.00 0.00 55.95 54.93 1a5m s SER 358 Cb -0.07 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 1a5m s SER 358 CO 0.01 -1.31 -0.12 -1.54 0.98 0.00 0.00 173.24 171.26 1a5m n SER 359 N -1.41 0.87 -0.63 7.02 3.41 -1.26 -1.14 113.62 120.47 1a5m n SER 359 Ca 0.01 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1a5m n SER 359 Cb 0.61 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1a5m n SER 359 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1a5m n ASP 360 N -3.38 -1.21 -4.63 4.04 2.03 -0.91 -3.06 116.55 109.44 1a5m n ASP 360 Ca -0.05 0.00 -0.66 0.00 0.52 0.00 0.00 54.79 54.61 1a5m n ASP 360 Cb 0.18 -0.30 -0.10 0.00 -0.72 0.00 0.00 41.12 40.17 1a5m n ASP 360 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1a5m n SER 361 N -0.63 1.15 -1.93 1.67 3.41 -1.16 -1.79 113.62 114.34 1a5m n SER 361 Ca 0.00 1.06 -0.16 0.00 -0.26 0.00 0.00 58.87 59.51 1a5m n SER 361 Cb 0.30 -0.90 -0.04 0.00 -0.26 0.00 0.00 64.21 63.32 1a5m n SER 361 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a5m n GLN 362 N 4.91 -1.66 -2.93 4.33 6.02 -0.72 -4.18 117.38 123.15 1a5m n GLN 362 Ca 0.37 0.88 -0.13 0.00 -0.01 0.00 0.00 57.00 58.10 1a5m n GLN 362 Cb -0.05 -5.34 0.03 0.00 1.02 0.00 0.00 30.24 25.90 1a5m n GLN 362 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a5m n ALA 363 N -0.60 0.41 -2.33 -1.58 0.00 -0.74 -4.89 120.51 110.78 1a5m n ALA 363 Ca -0.18 -2.31 -0.03 0.00 0.00 0.00 0.00 53.44 50.93 1a5m n ALA 363 Cb 0.59 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.98 1a5m n ALA 363 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a5m n MET 364 N 0.54 -1.02 -3.62 0.00 2.81 -1.24 -4.90 117.12 109.69 1a5m n MET 364 Ca 0.14 0.12 -0.05 0.00 -1.81 0.00 0.00 57.70 56.10 1a5m n MET 364 Cb 0.67 -2.99 -0.04 0.00 -0.71 0.00 0.00 33.22 30.14 1a5m n MET 364 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1a5m s GLY 365 N -3.15 -0.07 -0.33 3.03 0.00 -0.95 -4.39 107.32 101.46 1a5m s GLY 365 Ca 0.02 2.44 -0.04 0.00 0.00 0.00 0.00 44.72 47.14 1a5m s GLY 365 CO 0.11 1.03 0.07 0.50 0.00 0.00 0.00 173.10 174.80 1a5m s ARG 366 N -1.18 2.49 0.54 2.90 0.52 -1.26 -1.76 118.95 121.20 1a5m s ARG 366 Ca 0.05 -1.28 0.27 0.00 -0.52 0.00 0.00 55.73 54.25 1a5m s ARG 366 Cb -0.01 -3.35 1.44 0.00 0.52 0.00 0.00 34.95 33.55 1a5m s ARG 366 CO -0.04 -0.69 1.98 -0.24 0.02 0.00 0.00 175.30 176.33 1a5m h VAL 367 N 6.32 0.64 -0.62 3.52 3.04 -1.90 -1.86 116.25 125.39 1a5m h VAL 367 Ca -0.21 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1a5m h VAL 367 Cb 1.07 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 1a5m h VAL 367 CO 0.58 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.75 1a5m n GLY 368 N -1.62 2.78 0.17 3.17 0.00 -1.26 -4.45 105.19 103.98 1a5m n GLY 368 Ca 0.10 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.40 1a5m n GLY 368 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a5m n GLU 369 N 1.09 1.13 -0.00 1.61 1.02 -0.70 -4.80 120.64 119.99 1a5m n GLU 369 Ca 0.24 -2.43 -0.13 0.00 -0.02 0.00 0.00 57.16 54.82 1a5m n GLU 369 Cb 0.79 -1.37 -0.09 0.00 -0.02 0.00 0.00 31.44 30.75 1a5m n GLU 369 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1a5m h VAL 370 N 1.00 1.27 0.14 2.62 2.07 -1.79 -1.98 116.25 119.59 1a5m h VAL 370 Ca -0.00 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1a5m h VAL 370 Cb 1.06 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1a5m h VAL 370 CO 0.00 0.21 -0.07 0.40 0.02 0.00 0.00 177.57 178.13 1a5m h ILE 371 N -0.30 1.02 -0.53 4.57 2.04 -1.89 -2.63 117.51 119.79 1a5m h ILE 371 Ca 0.00 -0.81 0.11 0.00 1.00 0.00 0.00 64.86 65.16 1a5m h ILE 371 Cb 0.34 1.51 -0.10 0.00 -0.74 0.00 0.00 36.82 37.83 1a5m h ILE 371 CO 0.00 0.19 -0.18 0.25 0.00 0.00 0.00 178.15 178.41 1a5m h LEU 372 N -0.58 -0.65 -0.95 1.44 6.46 -1.63 -1.61 115.31 117.79 1a5m h LEU 372 Ca -0.02 0.17 -0.11 0.00 -0.12 0.00 0.00 57.88 57.81 1a5m h LEU 372 Cb 0.45 0.39 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 1a5m h LEU 372 CO 0.03 -0.22 -0.41 0.03 -0.62 0.00 0.00 178.44 177.25 1a5m h ARG 373 N -0.06 0.23 -0.78 1.25 3.08 -1.40 -2.38 114.38 114.32 1a5m h ARG 373 Ca 0.25 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1a5m h ARG 373 Cb 0.44 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 1a5m h ARG 373 CO -0.57 0.61 0.46 1.15 -1.07 0.00 0.00 179.97 180.55 1a5m h THR 374 N 0.20 1.22 0.00 2.04 2.02 -0.91 -1.71 112.91 115.77 1a5m h THR 374 Ca 0.02 -0.51 -0.13 0.00 0.77 0.00 0.00 66.41 66.56 1a5m h THR 374 Cb 0.82 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1a5m h THR 374 CO 0.06 0.24 -0.61 -0.50 0.37 0.00 0.00 175.52 175.08 1a5m h TRP 375 N 1.07 0.00 -0.26 3.16 4.06 -1.24 -2.45 115.95 120.28 1a5m h TRP 375 Ca 0.28 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 61.11 1a5m h TRP 375 Cb -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.13 1a5m h TRP 375 CO -0.00 0.61 -0.32 1.96 -3.56 0.00 0.00 178.44 177.13 1a5m h GLN 376 N 0.00 0.56 -0.24 0.49 4.20 -0.91 -1.08 115.11 118.13 1a5m h GLN 376 Ca -0.01 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.42 1a5m h GLN 376 Cb 1.10 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 1a5m h GLN 376 CO 0.08 0.81 0.01 0.28 -0.67 0.00 0.00 178.83 179.34 1a5m h VAL 377 N 0.48 1.25 -0.75 -0.54 2.07 -1.09 -1.26 116.25 116.40 1a5m h VAL 377 Ca 0.06 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.75 1a5m h VAL 377 Cb 0.79 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 1a5m h VAL 377 CO 0.06 0.27 0.47 0.00 0.02 0.00 0.00 177.57 178.39 1a5m h ALA 378 N 0.82 1.00 0.35 1.67 0.00 -1.23 0.90 119.26 122.77 1a5m h ALA 378 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1a5m h ALA 378 Cb 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1a5m h ALA 378 CO 0.01 0.24 -0.17 1.25 0.00 0.00 0.00 179.25 180.58 1a5m h HIS 379 N 0.90 -0.44 -0.12 0.00 6.17 -1.04 -0.80 115.15 119.81 1a5m h HIS 379 Ca 0.31 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.38 1a5m h HIS 379 Cb 0.06 0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.13 1a5m h HIS 379 CO -0.04 -0.25 0.05 0.00 0.71 0.00 0.00 177.93 178.40 1a5m h ARG 380 N -0.52 0.16 0.04 5.26 2.47 -0.78 -0.88 114.38 120.14 1a5m h ARG 380 Ca -0.05 -0.01 -0.26 0.00 -1.26 0.00 0.00 59.98 58.39 1a5m h ARG 380 Cb 0.39 -0.04 0.02 0.00 -1.65 0.00 0.00 29.97 28.69 1a5m h ARG 380 CO 0.08 0.14 -1.08 0.52 0.56 0.00 0.00 179.97 180.19 1a5m h MET 381 N 0.17 0.55 -0.33 0.04 2.86 -0.62 -1.89 114.93 115.70 1a5m h MET 381 Ca 0.04 -0.65 -0.03 0.00 -2.06 0.00 0.00 59.70 57.00 1a5m h MET 381 Cb 0.04 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1a5m h MET 381 CO -0.01 1.26 0.10 -0.22 1.06 0.00 0.00 176.91 179.10 1a5m h LYS 382 N 0.28 0.52 -0.63 1.72 3.64 -0.61 0.36 116.57 121.85 1a5m h LYS 382 Ca -0.13 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.17 1a5m h LYS 382 Cb 1.74 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 33.44 1a5m h LYS 382 CO 0.20 0.56 0.38 0.28 -2.27 0.00 0.00 179.45 178.60 1a5m h VAL 383 N 0.38 1.05 0.14 2.00 2.07 -1.20 0.14 116.25 120.83 1a5m h VAL 383 Ca 0.11 -0.25 -0.33 0.00 0.82 0.00 0.00 66.70 67.05 1a5m h VAL 383 Cb 0.26 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1a5m h VAL 383 CO -0.00 0.13 -1.65 1.56 0.02 0.00 0.00 177.57 177.63 1a5m h GLN 384 N 0.73 0.30 -0.00 1.57 4.20 -1.18 -3.40 115.11 117.33 1a5m h GLN 384 Ca 0.26 -0.52 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1a5m h GLN 384 Cb 0.06 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1a5m h GLN 384 CO -0.12 1.18 -0.47 0.54 -0.67 0.00 0.00 178.83 179.29 1a5m n ARG 385 N -3.50 3.56 0.00 1.46 1.74 0.12 -5.08 116.66 114.96 1a5m n ARG 385 Ca -0.21 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 1a5m n ARG 385 Cb 1.06 -0.99 0.00 0.00 -1.02 0.00 0.00 32.46 31.51 1a5m n ARG 385 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5m n GLY 386 N 1.22 -0.99 3.76 -0.13 0.00 0.47 -4.88 105.19 104.64 1a5m n GLY 386 Ca 0.02 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 1a5m n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5m s ALA 387 N -1.16 2.88 0.57 4.61 0.00 -1.26 -4.56 121.76 122.83 1a5m s ALA 387 Ca 0.00 1.11 -0.16 0.00 0.00 0.00 0.00 51.96 52.91 1a5m s ALA 387 Cb 0.00 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 1a5m s ALA 387 CO 0.00 -1.00 1.03 -0.51 0.00 0.00 0.00 175.76 175.28 1a5m s LEU 388 N -3.30 3.54 0.58 0.00 1.43 -1.26 -4.92 118.68 114.74 1a5m s LEU 388 Ca 0.68 1.72 0.28 0.00 -1.03 0.00 0.00 54.13 55.77 1a5m s LEU 388 Cb -0.34 -4.52 1.69 0.00 0.03 0.00 0.00 46.19 43.05 1a5m s LEU 388 CO 0.40 -0.95 2.19 0.00 0.23 0.00 0.00 176.35 178.22 1a5m h ALA 389 N 0.59 1.70 -0.00 4.21 0.00 -1.98 -1.56 119.26 122.21 1a5m h ALA 389 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1a5m h ALA 389 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1a5m h ALA 389 CO 0.59 -0.11 -0.19 0.39 0.00 0.00 0.00 179.25 179.94 1a5m n GLU 390 N -3.93 0.10 -2.00 0.00 4.71 -1.26 -4.92 120.64 113.34 1a5m n GLU 390 Ca -0.01 -0.03 -0.38 0.00 -0.01 0.00 0.00 57.16 56.73 1a5m n GLU 390 Cb 0.17 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.12 1a5m n GLU 390 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1a5m s GLU 391 N -2.92 3.36 -0.01 3.49 0.41 -0.59 -4.92 118.70 117.52 1a5m s GLU 391 Ca 0.15 2.01 0.02 0.00 -0.41 0.00 0.00 54.97 56.74 1a5m s GLU 391 Cb 0.19 -2.28 -0.00 0.00 -1.78 0.00 0.00 34.13 30.26 1a5m s GLU 391 CO 0.58 -0.94 -0.06 -0.08 -0.49 0.00 0.00 175.26 174.27 1a5m s THR 392 N -1.43 0.45 0.07 3.63 -1.32 -1.26 -5.00 115.64 110.79 1a5m s THR 392 Ca 0.69 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.93 1a5m s THR 392 Cb -0.35 -0.39 0.00 0.00 -1.51 0.00 0.00 72.50 70.25 1a5m s THR 392 CO 0.41 0.13 0.00 0.61 -2.21 0.00 0.00 174.62 173.56 1a5m n GLY 393 N 2.99 -1.64 3.09 6.08 0.00 -1.26 -4.48 105.19 109.97 1a5m n GLY 393 Ca -0.13 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 1a5m n GLY 393 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a5m n ASP 394 N -2.07 5.95 -3.18 1.61 -0.08 -1.26 -4.92 116.55 112.61 1a5m n ASP 394 Ca -0.00 -3.26 -0.08 0.00 -1.51 0.00 0.00 54.79 49.94 1a5m n ASP 394 Cb 0.12 -1.35 0.01 0.00 2.34 0.00 0.00 41.12 42.25 1a5m n ASP 394 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1a5m s ASN 395 N -0.38 -0.07 -0.22 1.67 6.03 -1.26 -4.99 114.94 115.72 1a5m s ASN 395 Ca 0.33 -1.00 0.14 0.00 -1.03 0.00 0.00 52.86 51.30 1a5m s ASN 395 Cb 0.02 0.82 0.51 0.00 -3.03 0.00 0.00 41.25 39.56 1a5m s ASN 395 CO 0.04 -1.60 1.43 0.47 -2.03 0.00 0.00 177.10 175.41 1a5m n ASP 396 N -1.16 3.26 -0.22 3.54 8.00 0.02 -4.78 116.55 125.21 1a5m n ASP 396 Ca -0.07 -3.31 -0.00 0.00 0.71 0.00 0.00 54.79 52.11 1a5m n ASP 396 Cb 0.60 -0.58 0.07 0.00 -0.02 0.00 0.00 41.12 41.19 1a5m n ASP 396 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1a5m h ASN 397 N 1.36 -0.57 -0.52 -2.24 4.21 -1.91 -0.46 115.58 115.46 1a5m h ASN 397 Ca 0.09 0.19 -0.05 0.00 1.21 0.00 0.00 56.30 57.75 1a5m h ASN 397 Cb 1.52 0.39 -0.02 0.00 -1.12 0.00 0.00 38.32 39.08 1a5m h ASN 397 CO 0.28 -0.20 0.14 0.15 -1.29 0.00 0.00 177.43 176.51 1a5m h PHE 398 N 0.01 0.85 -0.26 1.19 3.57 -1.91 -1.53 116.94 118.87 1a5m h PHE 398 Ca 0.31 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1a5m h PHE 398 Cb 0.48 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1a5m h PHE 398 CO -0.51 0.74 0.01 -0.09 -2.23 0.00 0.00 178.31 176.23 1a5m h ARG 399 N 0.71 0.38 -0.38 1.11 2.43 -1.73 -0.75 114.38 116.15 1a5m h ARG 399 Ca 0.16 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.12 1a5m h ARG 399 Cb 0.30 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1a5m h ARG 399 CO -0.00 0.40 -0.36 0.28 -1.51 0.00 0.00 179.97 178.78 1a5m h VAL 400 N 0.37 1.27 -0.51 0.20 2.07 -0.68 -1.98 116.25 117.00 1a5m h VAL 400 Ca 0.09 -1.53 -0.11 0.00 0.82 0.00 0.00 66.70 65.96 1a5m h VAL 400 Cb 0.24 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1a5m h VAL 400 CO 0.00 0.51 -0.13 0.11 0.02 0.00 0.00 177.57 178.09 1a5m h LYS 401 N 0.74 0.97 -0.41 1.57 1.57 -0.72 -0.83 116.57 119.46 1a5m h LYS 401 Ca 0.06 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1a5m h LYS 401 Cb 0.95 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 1a5m h LYS 401 CO 0.09 1.03 0.16 -0.09 -0.57 0.00 0.00 179.45 180.07 1a5m h ARG 402 N 0.86 0.62 -0.02 3.15 2.43 -1.07 -2.72 114.38 117.64 1a5m h ARG 402 Ca 0.13 -0.12 -0.21 0.00 -0.81 0.00 0.00 59.98 58.98 1a5m h ARG 402 Cb 0.68 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1a5m h ARG 402 CO 0.05 0.58 -0.88 1.88 -1.51 0.00 0.00 179.97 180.10 1a5m h TYR 403 N 0.52 0.51 -0.13 2.20 -1.99 -1.28 -3.22 116.97 113.58 1a5m h TYR 403 Ca 0.14 -0.27 -0.10 0.00 2.00 0.00 0.00 58.73 60.50 1a5m h TYR 403 Cb 0.20 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 1a5m h TYR 403 CO 0.00 1.07 -0.37 0.97 -0.00 0.00 0.00 178.16 179.83 1a5m h ILE 404 N 0.21 1.29 0.00 -2.88 2.10 -1.16 -2.63 117.51 114.44 1a5m h ILE 404 Ca -0.06 -1.42 -0.02 0.00 1.08 0.00 0.00 64.86 64.44 1a5m h ILE 404 Cb 1.49 1.61 -0.00 0.00 -1.09 0.00 0.00 36.82 38.83 1a5m h ILE 404 CO 0.15 0.43 -0.08 0.00 -1.08 0.00 0.00 178.15 177.57 1a5m h ALA 405 N 1.39 1.42 -0.29 0.18 0.00 -1.49 -2.80 119.26 117.68 1a5m h ALA 405 Ca 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1a5m h ALA 405 Cb 0.76 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1a5m h ALA 405 CO 0.06 0.09 0.04 0.87 0.00 0.00 0.00 179.25 180.31 1a5m h LYS 406 N 0.00 0.42 -0.15 0.00 1.57 -1.52 -1.76 116.57 115.13 1a5m h LYS 406 Ca -0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1a5m h LYS 406 Cb 0.19 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1a5m h LYS 406 CO 0.01 0.42 0.00 2.48 -0.57 0.00 0.00 179.45 181.79 1a5m n TYR 407 N -4.35 0.32 0.00 -1.35 0.18 -1.07 -2.56 117.16 108.34 1a5m n TYR 407 Ca 0.01 -0.70 0.00 0.00 1.88 0.00 0.00 57.90 59.09 1a5m n TYR 407 Cb 0.19 -0.13 0.00 0.00 -0.38 0.00 0.00 39.34 39.03 1a5m n TYR 407 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1a5m n THR 408 N -0.46 0.00 -0.20 -3.48 -2.24 -1.13 -0.72 114.28 106.05 1a5m n THR 408 Ca 0.11 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.80 1a5m n THR 408 Cb 0.53 -0.01 0.02 0.00 -2.10 0.00 0.00 70.33 68.76 1a5m n THR 408 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1a5m h ILE 409 N 0.00 1.26 -0.47 2.28 6.09 -1.39 -3.00 117.51 122.28 1a5m h ILE 409 Ca 0.00 -1.11 -0.02 0.00 -1.37 0.00 0.00 64.86 62.36 1a5m h ILE 409 Cb 0.00 0.86 -0.02 0.00 0.47 0.00 0.00 36.82 38.13 1a5m h ILE 409 CO 0.00 0.40 0.22 0.78 -3.07 0.00 0.00 178.15 176.48 1a5m h ASN 410 N 0.87 0.63 -0.48 2.19 2.35 -1.62 0.13 115.58 119.65 1a5m h ASN 410 Ca 0.16 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1a5m h ASN 410 Cb 0.53 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1a5m h ASN 410 CO 0.03 0.59 0.17 -0.65 -1.65 0.00 0.00 177.43 175.92 1a5m h PRO 411 N 0.62 0.79 -0.62 0.81 0.11 -1.76 -0.96 132.00 131.00 1a5m h PRO 411 Ca 0.16 -0.14 -0.08 0.00 0.11 0.00 0.00 66.00 66.06 1a5m h PRO 411 Cb 0.13 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1a5m h PRO 411 CO -0.02 0.68 0.07 0.00 -0.21 0.00 0.00 178.00 178.52 1a5m h ALA 412 N 1.42 0.83 -0.31 -0.75 0.00 -1.28 -2.59 119.26 116.57 1a5m h ALA 412 Ca 0.18 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1a5m h ALA 412 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1a5m h ALA 412 CO -0.01 0.61 -0.16 -0.07 0.00 0.00 0.00 179.25 179.62 1a5m h LEU 413 N 0.95 0.67 -1.21 0.00 3.38 -0.59 -0.84 115.31 117.66 1a5m h LEU 413 Ca 0.18 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.80 1a5m h LEU 413 Cb 0.47 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1a5m h LEU 413 CO 0.02 0.93 0.55 0.74 0.09 0.00 0.00 178.44 180.77 1a5m h THR 414 N 0.40 1.08 -0.57 0.22 2.02 -1.09 -2.69 112.91 112.28 1a5m h THR 414 Ca 0.07 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1a5m h THR 414 Cb 0.68 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1a5m h THR 414 CO 0.05 0.18 0.00 1.41 0.37 0.00 0.00 175.52 177.52 1a5m n HIS 415 N -4.47 1.27 -3.11 3.16 8.25 -0.99 -4.85 115.22 114.48 1a5m n HIS 415 Ca 0.12 -0.62 -0.20 0.00 -0.26 0.00 0.00 57.72 56.76 1a5m n HIS 415 Cb 0.18 -0.21 0.05 0.00 1.12 0.00 0.00 29.99 31.12 1a5m n HIS 415 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a5m n GLY 416 N 0.88 -0.36 0.03 -1.41 0.00 -1.02 -4.74 105.19 98.57 1a5m n GLY 416 Ca 0.23 0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.32 1a5m n GLY 416 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1a5m n ILE 417 N -4.48 0.82 0.30 -0.61 -5.35 -0.36 -2.03 119.36 107.65 1a5m n ILE 417 Ca -0.06 -0.86 0.12 0.00 -0.27 0.00 0.00 62.75 61.68 1a5m n ILE 417 Cb 0.59 0.54 0.53 0.00 -1.74 0.00 0.00 39.64 39.56 1a5m n ILE 417 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1a5m n ALA 418 N -0.46 1.40 0.64 -1.28 0.00 -0.95 -1.10 120.51 118.77 1a5m n ALA 418 Ca 0.02 0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1a5m n ALA 418 Cb 0.37 -1.36 0.43 0.00 0.00 0.00 0.00 19.45 18.89 1a5m n ALA 418 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1a5m n HIS 419 N -2.25 0.84 -0.07 0.00 1.44 -1.26 -4.14 115.22 109.77 1a5m n HIS 419 Ca 0.01 0.25 -0.12 0.00 -2.01 0.00 0.00 57.72 55.85 1a5m n HIS 419 Cb 0.15 -0.91 -0.06 0.00 0.12 0.00 0.00 29.99 29.29 1a5m n HIS 419 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1a5m n GLU 420 N -2.19 0.34 -3.26 -1.40 -0.58 -0.26 -4.78 120.64 108.52 1a5m n GLU 420 Ca 0.05 0.10 -0.11 0.00 -0.42 0.00 0.00 57.16 56.78 1a5m n GLU 420 Cb 0.41 -1.21 -0.04 0.00 -0.57 0.00 0.00 31.44 30.03 1a5m n GLU 420 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1a5m n VAL 421 N -3.15 0.00 0.00 2.62 0.24 -0.81 -0.92 118.33 116.31 1a5m n VAL 421 Ca -0.27 -1.37 0.00 0.00 -2.04 0.00 0.00 64.34 60.66 1a5m n VAL 421 Cb 0.75 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 1a5m n VAL 421 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a5m n GLY 422 N -0.36 2.03 3.80 7.63 0.00 -1.26 -4.18 105.19 112.85 1a5m n GLY 422 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1a5m n GLY 422 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a5m s SER 423 N -1.42 -0.18 -0.94 1.61 1.04 -1.26 -1.97 113.70 110.58 1a5m s SER 423 Ca 0.00 -0.54 -0.16 0.00 0.48 0.00 0.00 55.95 55.72 1a5m s SER 423 Cb 0.00 0.59 0.17 0.00 0.10 0.00 0.00 66.02 66.88 1a5m s SER 423 CO 0.00 -1.11 1.06 -0.63 0.98 0.00 0.00 173.24 173.54 1a5m s ILE 424 N -3.35 5.08 0.03 -1.02 1.01 -1.26 -4.92 121.20 116.78 1a5m s ILE 424 Ca 0.13 -2.05 0.02 0.00 0.00 0.00 0.00 60.65 58.74 1a5m s ILE 424 Cb -0.03 -4.70 -0.02 0.00 0.01 0.00 0.00 42.46 37.72 1a5m s ILE 424 CO 0.05 -1.37 -0.06 -1.61 0.00 0.00 0.00 174.94 171.94 1a5m s GLU 425 N 1.63 0.47 0.51 2.79 2.02 -1.26 -5.09 118.70 119.76 1a5m s GLU 425 Ca 0.30 -0.69 -0.23 0.00 0.02 0.00 0.00 54.97 54.36 1a5m s GLU 425 Cb -0.06 -0.20 -0.07 0.00 0.10 0.00 0.00 34.13 33.90 1a5m s GLU 425 CO -0.08 0.03 1.30 1.33 0.02 0.00 0.00 175.26 177.85 1a5m n VAL 426 N 1.57 3.34 0.00 2.63 0.24 -1.26 -2.54 118.33 122.30 1a5m n VAL 426 Ca -0.23 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1a5m n VAL 426 Cb 0.55 -1.60 0.00 0.00 -1.47 0.00 0.00 33.84 31.32 1a5m n VAL 426 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a5m n GLY 427 N 0.81 2.78 3.88 7.63 0.00 0.07 -4.96 105.19 115.40 1a5m n GLY 427 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1a5m n GLY 427 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5m s LYS 428 N -0.37 3.68 0.33 1.61 1.02 -1.05 -4.77 119.74 120.18 1a5m s LYS 428 Ca 0.00 0.45 -0.29 0.00 0.02 0.00 0.00 55.97 56.14 1a5m s LYS 428 Cb 0.00 -2.32 -0.12 0.00 -0.52 0.00 0.00 37.83 34.87 1a5m s LYS 428 CO 0.00 -0.19 1.48 -0.11 -0.92 0.00 0.00 175.35 175.61 1a5m n LEU 429 N -1.87 4.24 -3.53 3.17 7.94 -0.09 -0.72 117.00 126.14 1a5m n LEU 429 Ca 0.03 1.19 -0.39 0.00 -1.11 0.00 0.00 56.01 55.73 1a5m n LEU 429 Cb 0.54 -1.57 -0.02 0.00 0.53 0.00 0.00 43.42 42.90 1a5m n LEU 429 CO 0.51 -0.02 2.65 0.00 -1.11 0.00 0.00 177.39 179.41 1a5m n ALA 430 N 1.17 5.29 -3.24 1.96 0.00 0.36 -4.66 120.51 121.38 1a5m n ALA 430 Ca 0.05 -3.38 -0.46 0.00 0.00 0.00 0.00 53.44 49.66 1a5m n ALA 430 Cb 0.37 -3.45 -0.05 0.00 0.00 0.00 0.00 19.45 16.32 1a5m n ALA 430 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a5m s ASP 431 N 3.47 6.19 0.14 0.00 1.01 -1.26 -2.63 116.67 123.58 1a5m s ASP 431 Ca 0.53 -1.69 0.07 0.00 0.71 0.00 0.00 52.55 52.18 1a5m s ASP 431 Cb 0.14 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 1a5m s ASP 431 CO -0.02 -0.89 -0.17 -0.76 0.21 0.00 0.00 175.17 173.54 1a5m s LEU 432 N 1.79 2.40 -0.06 1.23 1.43 -0.70 -1.68 118.68 123.09 1a5m s LEU 432 Ca 0.05 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.36 1a5m s LEU 432 Cb -0.29 -0.73 0.01 0.00 0.03 0.00 0.00 46.19 45.22 1a5m s LEU 432 CO 0.04 -0.06 -0.12 -0.69 0.23 0.00 0.00 176.35 175.75 1a5m s VAL 433 N -1.90 1.11 -0.20 -1.59 1.01 -0.23 -0.08 120.40 118.52 1a5m s VAL 433 Ca 0.11 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 1a5m s VAL 433 Cb -0.06 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1a5m s VAL 433 CO 0.05 0.35 0.08 -0.69 0.00 0.00 0.00 175.10 174.89 1a5m s VAL 434 N 0.65 4.81 0.01 2.92 1.01 0.29 -1.37 120.40 128.72 1a5m s VAL 434 Ca -0.14 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 61.88 1a5m s VAL 434 Cb -0.16 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1a5m s VAL 434 CO 0.04 0.42 -0.19 0.26 0.00 0.00 0.00 175.10 175.62 1a5m s TRP 435 N 0.69 1.69 0.12 5.22 0.52 0.76 -0.35 118.94 127.59 1a5m s TRP 435 Ca 0.04 -0.34 -0.24 0.00 0.02 0.00 0.00 56.10 55.59 1a5m s TRP 435 Cb -0.13 -1.06 -0.07 0.00 -1.15 0.00 0.00 33.47 31.06 1a5m s TRP 435 CO 0.02 0.01 0.72 0.45 0.02 0.00 0.00 176.95 178.17 1a5m s SER 436 N -0.71 7.27 0.43 2.95 0.15 -1.26 -0.56 113.70 121.97 1a5m s SER 436 Ca 0.07 1.50 0.20 0.00 0.70 0.00 0.00 55.95 58.42 1a5m s SER 436 Cb -0.08 -2.46 1.15 0.00 -1.71 0.00 0.00 66.02 62.93 1a5m s SER 436 CO 0.00 0.19 1.83 -0.65 1.20 0.00 0.00 173.24 175.81 1a5m h PRO 437 N 4.66 0.33 0.00 5.44 0.11 -1.92 -0.72 132.00 139.91 1a5m h PRO 437 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1a5m h PRO 437 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1a5m h PRO 437 CO 0.66 0.22 0.00 0.00 -0.21 0.00 0.00 178.00 178.68 1a5m h ALA 438 N 1.60 1.00 0.00 -0.75 0.00 -1.88 -0.16 119.26 119.07 1a5m h ALA 438 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1a5m h ALA 438 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1a5m h ALA 438 CO -0.19 0.00 -0.02 1.19 0.00 0.00 0.00 179.25 180.23 1a5m n PHE 439 N -2.76 0.00 -1.66 0.00 3.01 -0.35 -4.54 117.46 111.15 1a5m n PHE 439 Ca 0.02 -0.73 -0.47 0.00 1.01 0.00 0.00 57.45 57.28 1a5m n PHE 439 Cb 0.30 -0.10 -0.04 0.00 -0.01 0.00 0.00 39.48 39.63 1a5m n PHE 439 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1a5m n PHE 440 N -0.97 2.17 -0.47 1.38 7.35 -0.77 -1.11 117.46 125.05 1a5m n PHE 440 Ca 0.08 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 1a5m n PHE 440 Cb 0.48 -2.51 0.00 0.00 0.35 0.00 0.00 39.48 37.80 1a5m n PHE 440 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1a5m n GLY 441 N 3.29 1.55 0.70 7.13 0.00 -1.26 -4.55 105.19 112.06 1a5m n GLY 441 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 1a5m n GLY 441 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a5m n VAL 442 N -2.00 0.95 -3.59 1.61 0.31 -0.27 -3.55 118.33 111.80 1a5m n VAL 442 Ca 0.00 0.10 -0.22 0.00 -0.01 0.00 0.00 64.34 64.21 1a5m n VAL 442 Cb 0.00 -1.75 -0.16 0.00 -0.91 0.00 0.00 33.84 31.02 1a5m n VAL 442 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1a5m s LYS 443 N -2.25 0.08 0.61 5.55 1.02 -0.89 -4.91 119.74 118.95 1a5m s LYS 443 Ca -0.12 0.12 -0.17 0.00 0.02 0.00 0.00 55.97 55.82 1a5m s LYS 443 Cb 0.03 -1.35 -0.03 0.00 -0.52 0.00 0.00 37.83 35.97 1a5m s LYS 443 CO 0.16 -0.59 1.10 -2.14 -0.92 0.00 0.00 175.35 172.96 1a5m s PRO 444 N 2.21 3.07 -0.06 -1.68 0.02 -1.26 -4.72 135.00 132.59 1a5m s PRO 444 Ca 0.04 1.42 0.01 0.00 0.02 0.00 0.00 61.00 62.49 1a5m s PRO 444 Cb -0.15 -1.98 -0.25 0.00 0.02 0.00 0.00 34.50 32.13 1a5m s PRO 444 CO -0.09 -1.04 0.59 0.00 -0.33 0.00 0.00 177.00 176.13 1a5m h ALA 445 N 0.48 0.52 -2.58 -1.55 0.00 -1.05 -3.42 119.26 111.65 1a5m h ALA 445 Ca -0.48 -1.35 -0.10 0.00 0.00 0.00 0.00 54.91 52.98 1a5m h ALA 445 Cb 1.25 0.53 -0.24 0.00 0.00 0.00 0.00 17.79 19.32 1a5m h ALA 445 CO 0.56 1.37 -0.19 0.99 0.00 0.00 0.00 179.25 181.97 1a5m s THR 446 N -2.59 -0.01 -0.24 0.00 2.01 -1.08 -4.15 115.64 109.59 1a5m s THR 446 Ca -0.13 0.02 0.02 0.00 0.31 0.00 0.00 61.69 61.92 1a5m s THR 446 Cb 0.07 -0.66 0.05 0.00 0.01 0.00 0.00 72.50 71.97 1a5m s THR 446 CO 0.81 0.01 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.96 1a5m s VAL 447 N 0.62 1.92 -0.19 3.82 1.01 -0.86 -0.55 120.40 126.17 1a5m s VAL 447 Ca -0.03 -1.39 -0.10 0.00 0.00 0.00 0.00 61.98 60.46 1a5m s VAL 447 Cb -0.05 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1a5m s VAL 447 CO -0.04 0.02 0.14 -0.63 0.00 0.00 0.00 175.10 174.59 1a5m s ILE 448 N 1.23 5.41 -0.17 2.22 1.01 0.89 -0.89 121.20 130.91 1a5m s ILE 448 Ca -0.06 0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.81 1a5m s ILE 448 Cb -0.19 -3.47 0.03 0.00 0.01 0.00 0.00 42.46 38.84 1a5m s ILE 448 CO -0.06 0.46 -0.15 -0.54 0.00 0.00 0.00 174.94 174.64 1a5m s LYS 449 N 0.21 2.45 -1.60 2.79 1.02 0.93 -1.72 119.74 123.82 1a5m s LYS 449 Ca 0.09 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.36 1a5m s LYS 449 Cb -0.11 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 1a5m s LYS 449 CO -0.01 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 1a5m n GLY 450 N 4.70 0.02 0.73 -3.33 0.00 -1.08 -1.47 105.19 104.77 1a5m n GLY 450 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1a5m n GLY 450 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5m n GLY 451 N -0.79 0.67 3.11 -0.02 0.00 -1.09 -4.21 105.19 102.87 1a5m n GLY 451 Ca -0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 1a5m n GLY 451 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a5m s MET 452 N -0.74 1.37 0.08 1.61 -1.94 -0.54 -4.96 119.30 114.18 1a5m s MET 452 Ca 0.00 -0.53 -0.31 0.00 -1.71 0.00 0.00 55.69 53.14 1a5m s MET 452 Cb 0.00 -1.27 -0.08 0.00 2.01 0.00 0.00 34.83 35.49 1a5m s MET 452 CO 0.00 0.27 1.60 0.42 -0.01 0.00 0.00 175.02 177.30 1a5m s ILE 453 N -0.15 3.03 -0.16 2.53 1.01 -1.26 -0.05 121.20 126.15 1a5m s ILE 453 Ca 0.01 0.56 0.16 0.00 0.00 0.00 0.00 60.65 61.39 1a5m s ILE 453 Cb -0.08 -3.36 -0.23 0.00 0.01 0.00 0.00 42.46 38.80 1a5m s ILE 453 CO 0.00 0.01 0.10 0.00 0.00 0.00 0.00 174.94 175.05 1a5m n ALA 454 N 5.15 1.67 -3.52 9.38 0.00 -0.06 -1.67 120.51 131.44 1a5m n ALA 454 Ca 0.15 -1.12 -0.16 0.00 0.00 0.00 0.00 53.44 52.31 1a5m n ALA 454 Cb 0.40 -0.19 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 1a5m n ALA 454 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1a5m s ILE 455 N -2.53 0.00 0.12 0.00 2.07 -1.20 -0.76 121.20 118.90 1a5m s ILE 455 Ca -0.09 -0.04 -0.25 0.00 -1.41 0.00 0.00 60.65 58.86 1a5m s ILE 455 Cb 0.06 -0.95 0.07 0.00 0.13 0.00 0.00 42.46 41.78 1a5m s ILE 455 CO 0.75 -0.02 0.82 0.00 -1.91 0.00 0.00 174.94 174.58 1a5m s ALA 456 N -0.61 -1.64 0.32 1.50 0.00 -1.19 -2.02 121.76 118.13 1a5m s ALA 456 Ca -0.07 0.46 -0.28 0.00 0.00 0.00 0.00 51.96 52.07 1a5m s ALA 456 Cb -0.02 0.65 -0.09 0.00 0.00 0.00 0.00 23.12 23.65 1a5m s ALA 456 CO 0.06 -0.86 1.17 -2.14 0.00 0.00 0.00 175.76 173.99 1a5m s PRO 457 N -3.42 4.42 -0.04 0.00 0.02 -1.26 -2.07 135.00 132.64 1a5m s PRO 457 Ca 0.07 1.91 -0.02 0.00 0.02 0.00 0.00 61.00 62.97 1a5m s PRO 457 Cb -0.02 -3.02 0.03 0.00 0.02 0.00 0.00 34.50 31.51 1a5m s PRO 457 CO -0.05 -0.02 0.10 1.41 -0.33 0.00 0.00 177.00 178.11 1a5m s MET 458 N -1.77 0.06 0.00 5.54 1.75 -0.64 -4.90 119.30 119.33 1a5m s MET 458 Ca 0.49 0.25 0.00 0.00 -1.25 0.00 0.00 55.69 55.18 1a5m s MET 458 Cb -0.33 -0.14 0.00 0.00 2.84 0.00 0.00 34.83 37.20 1a5m s MET 458 CO 0.43 -0.12 0.00 0.41 -0.65 0.00 0.00 175.02 175.09 1a5m n GLY 459 N 3.88 -0.05 3.60 2.11 0.00 -0.47 -2.63 105.19 111.63 1a5m n GLY 459 Ca -0.23 -1.80 -0.62 0.00 0.00 0.00 0.00 46.02 43.37 1a5m n GLY 459 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a5m n ASP 460 N -2.03 1.49 0.16 1.61 -0.08 -0.44 -4.83 116.55 112.43 1a5m n ASP 460 Ca 0.00 0.98 0.05 0.00 -1.51 0.00 0.00 54.79 54.31 1a5m n ASP 460 Cb 0.00 -0.98 0.51 0.00 2.34 0.00 0.00 41.12 42.98 1a5m n ASP 460 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1a5m h ILE 461 N 5.70 1.09 -0.02 5.18 1.08 -1.92 -1.81 117.51 126.81 1a5m h ILE 461 Ca -0.35 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 63.79 1a5m h ILE 461 Cb 1.36 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 36.09 1a5m h ILE 461 CO 1.00 0.11 -0.00 -3.20 -0.69 0.00 0.00 178.15 175.37 1a5m n ASN 462 N -4.43 1.97 -4.71 1.72 5.15 -1.26 -4.97 115.26 108.73 1a5m n ASN 462 Ca -0.01 -1.65 -0.29 0.00 -0.60 0.00 0.00 54.58 52.03 1a5m n ASN 462 Cb 0.15 0.00 0.15 0.00 -0.53 0.00 0.00 39.78 39.55 1a5m n ASN 462 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a5m s ALA 463 N -2.00 1.41 -0.85 5.20 0.00 -0.68 -4.93 121.76 119.91 1a5m s ALA 463 Ca 0.35 -0.18 0.26 0.00 0.00 0.00 0.00 51.96 52.39 1a5m s ALA 463 Cb 0.21 -3.16 0.99 0.00 0.00 0.00 0.00 23.12 21.16 1a5m s ALA 463 CO 0.33 -2.46 1.81 -1.13 0.00 0.00 0.00 175.76 174.30 1a5m n SER 464 N -3.94 0.39 -4.02 0.00 3.41 -1.26 -4.82 113.62 103.38 1a5m n SER 464 Ca 0.06 0.55 -0.10 0.00 -0.26 0.00 0.00 58.87 59.12 1a5m n SER 464 Cb 0.56 -0.65 -0.08 0.00 -0.26 0.00 0.00 64.21 63.79 1a5m n SER 464 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1a5m s ILE 465 N -3.07 0.07 -2.15 -1.33 -4.36 -1.26 -5.06 121.20 104.04 1a5m s ILE 465 Ca 0.11 -1.54 0.23 0.00 -0.26 0.00 0.00 60.65 59.19 1a5m s ILE 465 Cb 0.15 -1.94 0.57 0.00 1.25 0.00 0.00 42.46 42.48 1a5m s ILE 465 CO 0.52 -0.30 1.74 -0.81 0.24 0.00 0.00 174.94 176.33 1a5m n PRO 466 N -0.20 1.32 0.04 0.37 -0.04 -1.26 -4.22 135.00 131.01 1a5m n PRO 466 Ca -0.06 -0.47 0.01 0.00 -0.04 0.00 0.00 63.50 62.93 1a5m n PRO 466 Cb 0.63 -1.38 -0.08 0.00 -0.04 0.00 0.00 33.50 32.63 1a5m n PRO 466 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1a5m n THR 467 N -0.34 1.14 -1.73 0.52 -2.24 -1.26 -1.37 114.28 108.99 1a5m n THR 467 Ca 0.17 -0.68 -0.37 0.00 -2.27 0.00 0.00 64.05 60.89 1a5m n THR 467 Cb 0.19 -0.70 0.06 0.00 -2.10 0.00 0.00 70.33 67.79 1a5m n THR 467 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1a5m n PRO 468 N -2.86 1.20 -1.63 -0.78 -0.02 -1.26 -4.79 135.00 124.86 1a5m n PRO 468 Ca -0.09 0.46 -0.33 0.00 -2.02 0.00 0.00 63.50 61.52 1a5m n PRO 468 Cb 0.82 -2.53 0.06 0.00 -0.02 0.00 0.00 33.50 31.84 1a5m n PRO 468 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1a5m s GLN 469 N -3.27 2.60 0.13 -0.52 -1.52 -1.26 -1.33 119.66 114.49 1a5m s GLN 469 Ca 0.81 1.42 -0.26 0.00 -1.95 0.00 0.00 55.36 55.38 1a5m s GLN 469 Cb -0.39 -1.92 -0.07 0.00 -0.22 0.00 0.00 33.01 30.41 1a5m s GLN 469 CO 0.42 -1.41 0.80 -1.25 -0.25 0.00 0.00 175.29 173.59 1a5m s PRO 470 N -4.18 4.57 -0.26 2.91 0.04 -1.26 -4.24 135.00 132.58 1a5m s PRO 470 Ca 0.67 1.17 -0.08 0.00 0.04 0.00 0.00 61.00 62.80 1a5m s PRO 470 Cb -0.21 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 1a5m s PRO 470 CO 0.44 0.45 0.09 0.08 0.04 0.00 0.00 177.00 178.10 1a5m s VAL 471 N -0.70 4.44 0.10 -0.36 1.01 -1.26 -3.74 120.40 119.88 1a5m s VAL 471 Ca 0.38 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 1a5m s VAL 471 Cb -0.22 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1a5m s VAL 471 CO 0.26 0.31 0.26 -1.38 0.00 0.00 0.00 175.10 174.55 1a5m s HIS 472 N 1.63 0.04 0.12 5.22 -3.43 -1.08 -4.86 115.29 112.93 1a5m s HIS 472 Ca 0.06 -0.44 -0.31 0.00 -0.80 0.00 0.00 55.06 53.58 1a5m s HIS 472 Cb -0.15 0.04 -0.09 0.00 -1.43 0.00 0.00 32.58 30.95 1a5m s HIS 472 CO 0.05 -0.59 1.56 0.71 -2.00 0.00 0.00 174.74 174.46 1a5m s TYR 473 N -3.84 2.89 0.02 0.38 1.51 -1.26 -1.62 117.35 115.43 1a5m s TYR 473 Ca 0.04 0.60 0.03 0.00 -1.01 0.00 0.00 57.07 56.73 1a5m s TYR 473 Cb 0.04 -3.89 -0.02 0.00 -0.11 0.00 0.00 41.96 37.99 1a5m s TYR 473 CO -0.11 -3.34 -0.09 1.03 -1.11 0.00 0.00 175.55 171.93 1a5m s ARG 474 N 1.64 0.62 0.32 -0.62 0.52 -0.88 -4.94 118.95 115.61 1a5m s ARG 474 Ca 0.70 -0.54 -0.29 0.00 -0.52 0.00 0.00 55.73 55.08 1a5m s ARG 474 Cb -0.41 -0.54 -0.11 0.00 0.52 0.00 0.00 34.95 34.41 1a5m s ARG 474 CO 0.31 0.13 1.46 -2.14 0.02 0.00 0.00 175.30 175.08 1a5m s PRO 475 N -0.89 4.20 0.19 3.54 0.02 -1.26 -3.16 135.00 137.65 1a5m s PRO 475 Ca -0.02 2.43 0.02 0.00 0.02 0.00 0.00 61.00 63.45 1a5m s PRO 475 Cb -0.06 -3.03 0.02 0.00 0.02 0.00 0.00 34.50 31.44 1a5m s PRO 475 CO 0.00 -0.45 0.14 -1.33 -0.33 0.00 0.00 177.00 175.03 1a5m n MET 476 N 1.31 1.21 0.06 5.54 2.81 0.06 -4.95 117.12 123.17 1a5m n MET 476 Ca 0.04 -1.21 0.15 0.00 -1.81 0.00 0.00 57.70 54.86 1a5m n MET 476 Cb 0.40 0.14 0.64 0.00 -0.71 0.00 0.00 33.22 33.68 1a5m n MET 476 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 1a5m h PHE 477 N 0.57 0.08 0.00 2.03 0.04 -1.85 -0.44 116.94 117.37 1a5m h PHE 477 Ca -0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1a5m h PHE 477 Cb 0.45 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1a5m h PHE 477 CO 0.00 0.04 0.00 0.41 -0.60 0.00 0.00 178.31 178.16 1a5m n GLY 478 N -1.59 -1.07 0.86 -1.45 0.00 -0.67 -1.56 105.19 99.71 1a5m n GLY 478 Ca 0.06 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.24 1a5m n GLY 478 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5m n ALA 479 N -1.69 2.39 -2.64 4.61 0.00 -0.18 -3.76 120.51 119.25 1a5m n ALA 479 Ca 0.02 -0.89 -0.37 0.00 0.00 0.00 0.00 53.44 52.19 1a5m n ALA 479 Cb 0.16 -0.65 -0.06 0.00 0.00 0.00 0.00 19.45 18.89 1a5m n ALA 479 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a5m s LEU 480 N -1.29 4.37 0.00 0.00 1.43 -0.60 -4.78 118.68 117.81 1a5m s LEU 480 Ca 0.28 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.14 1a5m s LEU 480 Cb 0.17 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.91 1a5m s LEU 480 CO 0.24 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.66 1a5m n GLY 481 N 2.46 0.00 0.20 -3.19 0.00 -1.26 -0.74 105.19 102.66 1a5m n GLY 481 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.93 1a5m n GLY 481 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a5m h SER 482 N 0.00 0.00 -0.06 1.61 0.02 -1.95 -2.52 113.55 110.64 1a5m h SER 482 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1a5m h SER 482 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1a5m h SER 482 CO 0.00 0.32 -0.29 0.00 -1.14 0.00 0.00 176.83 175.72 1a5m h ALA 483 N 1.68 1.02 -0.00 3.77 0.00 -1.48 -2.49 119.26 121.76 1a5m h ALA 483 Ca -0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1a5m h ALA 483 Cb 0.58 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1a5m h ALA 483 CO 0.04 0.59 0.00 -0.09 0.00 0.00 0.00 179.25 179.79 1a5m h ARG 484 N 0.45 0.00 -0.95 0.00 2.43 -0.50 -2.07 114.38 113.74 1a5m h ARG 484 Ca 0.06 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.36 1a5m h ARG 484 Cb 0.73 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.20 1a5m h ARG 484 CO 0.06 0.16 0.60 0.45 -1.51 0.00 0.00 179.97 179.73 1a5m h HIS 485 N -0.15 0.99 0.00 2.20 3.86 -1.32 0.21 115.15 120.93 1a5m h HIS 485 Ca 0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1a5m h HIS 485 Cb 0.16 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.31 1a5m h HIS 485 CO -0.02 0.38 -0.08 1.25 0.86 0.00 0.00 177.93 180.32 1a5m h HIS 486 N 0.85 0.00 -0.30 2.45 -0.00 -1.17 -2.85 115.15 114.14 1a5m h HIS 486 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.85 1a5m h HIS 486 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.01 1a5m h HIS 486 CO -0.00 0.08 0.00 0.00 -0.00 0.00 0.00 177.93 178.00 1a5m s ARG 488 N -1.16 1.60 -0.01 0.00 1.70 -0.74 -3.33 118.95 117.01 1a5m s ARG 488 Ca 0.28 -1.82 0.05 0.00 -0.47 0.00 0.00 55.73 53.77 1a5m s ARG 488 Cb 0.16 -1.23 -0.01 0.00 -0.57 0.00 0.00 34.95 33.30 1a5m s ARG 488 CO 0.22 0.04 -0.16 -0.51 -1.08 0.00 0.00 175.30 173.81 1a5m s LEU 489 N -3.47 2.03 -0.24 -1.89 1.43 -1.26 -3.15 118.68 112.13 1a5m s LEU 489 Ca 0.30 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1a5m s LEU 489 Cb 0.04 -0.85 0.01 0.00 0.03 0.00 0.00 46.19 45.42 1a5m s LEU 489 CO 0.13 0.20 -0.04 -0.89 0.23 0.00 0.00 176.35 175.98 1a5m s THR 490 N -0.39 3.20 0.02 5.49 2.01 -0.45 -1.32 115.64 124.19 1a5m s THR 490 Ca 0.06 -0.76 -0.26 0.00 0.31 0.00 0.00 61.69 61.04 1a5m s THR 490 Cb -0.06 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 1a5m s THR 490 CO -0.01 0.28 0.79 -0.36 -0.69 0.00 0.00 174.62 174.64 1a5m s PHE 491 N 1.41 3.70 0.28 4.92 0.08 0.02 -1.76 117.98 126.63 1a5m s PHE 491 Ca 0.03 1.47 0.10 0.00 0.12 0.00 0.00 56.93 58.65 1a5m s PHE 491 Cb -0.16 -2.87 -0.05 0.00 -0.57 0.00 0.00 43.02 39.37 1a5m s PHE 491 CO -0.03 0.19 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.63 1a5m s LEU 492 N 0.27 2.60 0.49 -0.37 1.43 0.66 -4.57 118.68 119.19 1a5m s LEU 492 Ca 0.41 -1.09 -0.14 0.00 -1.03 0.00 0.00 54.13 52.27 1a5m s LEU 492 Cb -0.20 -0.91 -0.07 0.00 0.03 0.00 0.00 46.19 45.04 1a5m s LEU 492 CO 0.23 -0.12 0.92 -0.94 0.23 0.00 0.00 176.35 176.66 1a5m s SER 493 N -3.48 6.56 0.36 2.29 1.04 -1.25 -2.07 113.70 117.14 1a5m s SER 493 Ca 0.29 1.41 0.09 0.00 0.48 0.00 0.00 55.95 58.22 1a5m s SER 493 Cb -0.01 -2.44 0.82 0.00 0.10 0.00 0.00 66.02 64.49 1a5m s SER 493 CO 0.13 -0.55 1.88 1.56 0.98 0.00 0.00 173.24 177.25 1a5m h GLN 494 N 0.93 0.67 -0.22 4.02 4.20 -1.83 -1.49 115.11 121.39 1a5m h GLN 494 Ca -0.47 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.18 1a5m h GLN 494 Cb 1.19 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1a5m h GLN 494 CO 0.62 0.44 0.04 0.00 -0.67 0.00 0.00 178.83 179.27 1a5m h ALA 495 N 1.60 0.29 -0.44 3.87 0.00 -1.87 -1.72 119.26 120.99 1a5m h ALA 495 Ca 0.43 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1a5m h ALA 495 Cb 0.66 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1a5m h ALA 495 CO -0.19 -0.05 0.26 0.00 0.00 0.00 0.00 179.25 179.28 1a5m h ALA 496 N 0.85 0.56 -0.43 0.00 0.00 -1.49 -0.24 119.26 118.52 1a5m h ALA 496 Ca 0.07 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1a5m h ALA 496 Cb 0.30 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1a5m h ALA 496 CO 0.00 0.06 0.21 0.00 0.00 0.00 0.00 179.25 179.52 1a5m h ALA 497 N 1.12 0.53 -0.77 0.00 0.00 -1.21 -2.21 119.26 116.72 1a5m h ALA 497 Ca 0.16 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1a5m h ALA 497 Cb 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1a5m h ALA 497 CO -0.03 -0.14 0.26 0.00 0.00 0.00 0.00 179.25 179.34 1a5m h ALA 498 N 1.23 1.01 0.00 0.00 0.00 -0.94 -2.53 119.26 118.04 1a5m h ALA 498 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a5m h ALA 498 Cb 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1a5m h ALA 498 CO -0.13 0.67 0.00 0.09 0.00 0.00 0.00 179.25 179.88 1a5m n ASN 499 N -4.26 0.00 -0.58 0.00 3.02 -0.13 -4.86 115.26 108.45 1a5m n ASN 499 Ca 0.07 0.05 -0.05 0.00 -0.03 0.00 0.00 54.58 54.61 1a5m n ASN 499 Cb 0.22 -0.27 -0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1a5m n ASN 499 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a5m n GLY 500 N -0.08 0.19 0.31 7.41 0.00 -0.95 -4.94 105.19 107.12 1a5m n GLY 500 Ca 0.07 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 1a5m n GLY 500 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a5m h VAL 501 N 0.00 1.07 -0.83 1.61 2.07 -1.63 -1.55 116.25 116.99 1a5m h VAL 501 Ca -0.12 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1a5m h VAL 501 Cb 1.05 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1a5m h VAL 501 CO 0.15 0.17 0.53 0.00 0.02 0.00 0.00 177.57 178.44 1a5m h ALA 502 N 1.37 1.09 -0.16 1.67 0.00 -1.89 -0.67 119.26 120.68 1a5m h ALA 502 Ca 0.34 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.03 1a5m h ALA 502 Cb 0.11 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1a5m h ALA 502 CO -0.15 0.36 -0.64 0.93 0.00 0.00 0.00 179.25 179.75 1a5m h GLU 503 N 1.04 0.72 -0.43 0.00 3.07 -1.79 0.34 114.58 117.51 1a5m h GLU 503 Ca 0.33 -0.56 -0.04 0.00 -0.50 0.00 0.00 59.36 58.59 1a5m h GLU 503 Cb 0.01 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 1a5m h GLU 503 CO -0.12 1.17 0.10 -0.09 -1.40 0.00 0.00 179.01 178.68 1a5m h ARG 504 N 0.42 0.69 0.00 2.33 2.43 -1.02 -2.58 114.38 116.64 1a5m h ARG 504 Ca -0.04 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1a5m h ARG 504 Cb 1.27 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1a5m h ARG 504 CO 0.13 0.70 -0.06 1.28 -1.51 0.00 0.00 179.97 180.52 1a5m n LEU 505 N -4.52 0.25 -3.26 3.80 4.77 -0.28 -4.93 117.00 112.82 1a5m n LEU 505 Ca 0.00 0.47 -0.16 0.00 -0.03 0.00 0.00 56.01 56.30 1a5m n LEU 505 Cb 0.21 -0.43 0.08 0.00 -2.33 0.00 0.00 43.42 40.96 1a5m n LEU 505 CO 0.39 -0.04 0.09 -3.20 -1.33 0.00 0.00 177.39 173.30 1a5m n ASN 506 N -1.70 -2.83 -4.71 -1.43 2.85 -0.59 -4.95 115.26 101.90 1a5m n ASN 506 Ca 0.06 -0.60 -0.42 0.00 -0.11 0.00 0.00 54.58 53.52 1a5m n ASN 506 Cb 0.36 -4.86 -0.03 0.00 1.24 0.00 0.00 39.78 36.49 1a5m n ASN 506 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1a5m s LEU 507 N -5.94 4.38 0.16 1.20 1.02 0.01 -4.95 118.68 114.55 1a5m s LEU 507 Ca 0.08 1.99 0.20 0.00 0.02 0.00 0.00 54.13 56.42 1a5m s LEU 507 Cb -0.01 -3.58 -0.04 0.00 0.02 0.00 0.00 46.19 42.58 1a5m s LEU 507 CO 0.69 -0.44 1.00 0.03 0.02 0.00 0.00 176.35 177.65 1a5m h ARG 508 N 6.71 0.00 -7.56 1.70 -0.00 -1.92 -3.47 114.38 109.85 1a5m h ARG 508 Ca -0.42 0.00 -0.48 0.00 -0.50 0.00 0.00 59.98 58.59 1a5m h ARG 508 Cb 1.21 0.00 0.09 0.00 0.00 0.00 0.00 29.97 31.28 1a5m h ARG 508 CO 0.80 0.15 0.40 -1.12 0.00 0.00 0.00 179.97 180.21 1a5m s SER 509 N -5.65 4.79 0.43 7.04 0.01 -1.26 -4.73 113.70 114.33 1a5m s SER 509 Ca -0.01 0.93 -0.24 0.00 1.31 0.00 0.00 55.95 57.94 1a5m s SER 509 Cb 0.09 -1.55 -0.08 0.00 0.21 0.00 0.00 66.02 64.69 1a5m s SER 509 CO 0.79 -1.74 1.21 0.00 0.41 0.00 0.00 173.24 173.91 1a5m s ALA 510 N -3.47 3.10 -0.03 1.44 0.00 -1.08 -4.86 121.76 116.87 1a5m s ALA 510 Ca 0.61 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.62 1a5m s ALA 510 Cb -0.11 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1a5m s ALA 510 CO 0.50 -0.70 -0.02 0.42 0.00 0.00 0.00 175.76 175.97 1a5m s ILE 511 N -1.41 4.07 0.03 0.00 -1.09 -1.26 -1.34 121.20 120.20 1a5m s ILE 511 Ca 0.60 -0.53 0.03 0.00 -2.23 0.00 0.00 60.65 58.52 1a5m s ILE 511 Cb -0.33 -2.77 -0.02 0.00 -1.58 0.00 0.00 42.46 37.77 1a5m s ILE 511 CO 0.41 0.46 -0.08 0.00 -1.23 0.00 0.00 174.94 174.49 1a5m s ALA 512 N -0.99 0.66 -0.06 9.38 0.00 -0.72 -4.90 121.76 125.12 1a5m s ALA 512 Ca 0.17 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.50 1a5m s ALA 512 Cb -0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1a5m s ALA 512 CO 0.07 0.06 -0.10 0.08 0.00 0.00 0.00 175.76 175.87 1a5m s VAL 513 N -0.97 3.41 0.32 0.00 1.01 -1.26 -0.24 120.40 122.67 1a5m s VAL 513 Ca -0.05 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 1a5m s VAL 513 Cb -0.08 -2.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.85 1a5m s VAL 513 CO 0.00 0.59 0.72 0.68 0.00 0.00 0.00 175.10 177.10 1a5m s VAL 514 N -0.78 4.71 -0.16 2.92 -7.23 -0.88 -4.92 120.40 114.06 1a5m s VAL 514 Ca 0.12 0.88 -0.29 0.00 -1.81 0.00 0.00 61.98 60.87 1a5m s VAL 514 Cb -0.11 -3.62 0.11 0.00 0.56 0.00 0.00 36.38 33.32 1a5m s VAL 514 CO 0.01 -0.21 0.92 -1.59 -0.31 0.00 0.00 175.10 173.92 1a5m s LYS 515 N -3.05 0.69 0.00 4.82 -2.85 -0.86 -4.44 119.74 114.05 1a5m s LYS 515 Ca 0.53 0.28 0.00 0.00 -1.00 0.00 0.00 55.97 55.78 1a5m s LYS 515 Cb -0.10 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 36.00 1a5m s LYS 515 CO 0.19 -0.19 0.00 0.41 0.10 0.00 0.00 175.35 175.86 1a5m n GLY 516 N 1.09 0.72 0.08 0.59 0.00 -1.26 -4.49 105.19 101.93 1a5m n GLY 516 Ca -0.13 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.14 1a5m n GLY 516 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5m h ARG 518 N 0.00 0.02 0.00 0.00 2.47 -1.89 -3.36 114.38 111.62 1a5m h ARG 518 Ca -0.01 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1a5m h ARG 518 Cb 1.60 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.93 1a5m h ARG 518 CO 0.12 0.88 -0.12 1.79 0.56 0.00 0.00 179.97 183.20 1a5m h THR 519 N 0.00 0.00 -3.91 2.04 1.35 -1.99 -3.42 112.91 106.98 1a5m h THR 519 Ca -0.09 -0.67 -0.50 0.00 -0.55 0.00 0.00 66.41 64.60 1a5m h THR 519 Cb 1.85 1.59 0.04 0.00 -1.73 0.00 0.00 68.15 69.90 1a5m h THR 519 CO 0.12 0.00 0.49 0.68 -0.25 0.00 0.00 175.52 176.56 1a5m s VAL 520 N -3.15 3.32 0.20 6.82 -7.23 -1.25 -5.05 120.40 114.06 1a5m s VAL 520 Ca 0.08 1.15 -0.03 0.00 -1.81 0.00 0.00 61.98 61.37 1a5m s VAL 520 Cb 0.10 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.35 1a5m s VAL 520 CO 0.64 0.14 0.18 0.00 -0.31 0.00 0.00 175.10 175.76 1a5m s GLN 521 N -2.11 1.24 0.32 4.82 -2.07 -1.26 -4.84 119.66 115.75 1a5m s GLN 521 Ca 0.54 -1.55 0.10 0.00 -1.82 0.00 0.00 55.36 52.63 1a5m s GLN 521 Cb -0.30 0.30 0.91 0.00 -1.09 0.00 0.00 33.01 32.84 1a5m s GLN 521 CO 0.38 -0.42 1.72 -0.22 -1.32 0.00 0.00 175.29 175.42 1a5m h LYS 522 N 2.57 0.51 0.00 9.60 1.63 -0.74 0.12 116.57 130.27 1a5m h LYS 522 Ca -0.34 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1a5m h LYS 522 Cb 1.25 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1a5m h LYS 522 CO 0.50 0.34 -0.00 0.00 -3.45 0.00 0.00 179.45 176.84 1a5m h ALA 523 N 1.75 1.04 0.00 5.00 0.00 -1.82 -1.90 119.26 123.32 1a5m h ALA 523 Ca 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1a5m h ALA 523 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1a5m h ALA 523 CO -0.50 0.00 -0.42 -0.25 0.00 0.00 0.00 179.25 178.08 1a5m n ASP 524 N -3.14 0.55 -4.65 0.00 8.00 0.42 -4.86 116.55 112.87 1a5m n ASP 524 Ca -0.03 0.12 -0.43 0.00 0.71 0.00 0.00 54.79 55.17 1a5m n ASP 524 Cb 0.10 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 1a5m n ASP 524 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1a5m s MET 525 N -3.08 4.09 0.02 -1.24 -1.94 -0.72 -4.92 119.30 111.51 1a5m s MET 525 Ca 0.09 1.89 -0.30 0.00 -1.71 0.00 0.00 55.69 55.66 1a5m s MET 525 Cb 0.15 -3.94 -0.09 0.00 2.01 0.00 0.00 34.83 32.97 1a5m s MET 525 CO 0.67 -0.93 1.99 0.28 -0.01 0.00 0.00 175.02 177.02 1a5m n VAL 526 N 5.70 0.75 -0.87 -6.03 0.31 -1.26 -2.17 118.33 114.77 1a5m n VAL 526 Ca 0.17 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1a5m n VAL 526 Cb 0.44 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.05 1a5m n VAL 526 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1a5m n HIS 527 N 7.73 0.00 -3.17 3.52 8.25 -1.26 -4.82 115.22 125.47 1a5m n HIS 527 Ca 0.21 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.45 1a5m n HIS 527 Cb 0.41 -1.78 -0.06 0.00 1.12 0.00 0.00 29.99 29.69 1a5m n HIS 527 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a5m n ASN 528 N -0.69 0.15 -0.06 0.41 3.02 -0.92 -4.70 115.26 112.46 1a5m n ASN 528 Ca 0.00 -2.79 0.01 0.00 -0.03 0.00 0.00 54.58 51.77 1a5m n ASN 528 Cb 0.35 -0.51 0.01 0.00 -0.61 0.00 0.00 39.78 39.02 1a5m n ASN 528 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1a5m n SER 529 N 1.20 2.07 -4.71 6.41 3.41 -1.14 -4.57 113.62 116.29 1a5m n SER 529 Ca 0.21 -1.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.42 1a5m n SER 529 Cb 0.56 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 1a5m n SER 529 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1a5m s LEU 530 N -0.98 4.37 -0.64 1.04 2.96 -0.91 -4.65 118.68 119.87 1a5m s LEU 530 Ca 0.02 2.65 0.01 0.00 -0.22 0.00 0.00 54.13 56.59 1a5m s LEU 530 Cb 0.01 -3.59 0.16 0.00 0.50 0.00 0.00 46.19 43.27 1a5m s LEU 530 CO 0.02 -0.86 0.43 -1.10 -1.32 0.00 0.00 176.35 173.51 1a5m s GLN 531 N 1.34 2.42 0.52 1.98 -0.21 -1.26 -4.34 119.66 120.11 1a5m s GLN 531 Ca 0.71 -2.82 -0.17 0.00 0.02 0.00 0.00 55.36 53.10 1a5m s GLN 531 Cb -0.44 -3.55 -0.07 0.00 1.00 0.00 0.00 33.01 29.94 1a5m s GLN 531 CO 0.32 -1.18 1.00 -1.25 -2.12 0.00 0.00 175.29 172.05 1a5m s PRO 532 N -0.58 3.85 -1.14 2.91 0.04 -1.26 -4.94 135.00 133.88 1a5m s PRO 532 Ca 0.20 1.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.12 1a5m s PRO 532 Cb -0.18 -2.12 0.12 0.00 0.04 0.00 0.00 34.50 32.37 1a5m s PRO 532 CO -0.06 -0.36 1.43 1.21 0.04 0.00 0.00 177.00 179.26 1a5m s ASN 533 N -2.85 6.84 -0.10 6.66 2.47 -1.26 -4.42 114.94 122.28 1a5m s ASN 533 Ca 0.61 -2.45 -0.06 0.00 0.42 0.00 0.00 52.86 51.38 1a5m s ASN 533 Cb -0.11 -2.46 -0.04 0.00 -1.45 0.00 0.00 41.25 37.19 1a5m s ASN 533 CO 0.30 -1.01 0.13 -0.51 -3.72 0.00 0.00 177.10 172.28 1a5m s ILE 534 N 2.87 5.33 0.07 -5.21 2.07 -1.26 -0.94 121.20 124.12 1a5m s ILE 534 Ca 0.43 0.09 0.02 0.00 -1.41 0.00 0.00 60.65 59.78 1a5m s ILE 534 Cb -0.01 -3.34 -0.03 0.00 0.13 0.00 0.00 42.46 39.20 1a5m s ILE 534 CO -0.02 0.57 -0.07 0.42 -1.91 0.00 0.00 174.94 173.93 1a5m s THR 535 N -1.06 0.62 -0.07 4.00 -4.23 0.77 -4.91 115.64 110.76 1a5m s THR 535 Ca 0.17 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.27 1a5m s THR 535 Cb -0.12 -1.05 0.02 0.00 1.34 0.00 0.00 72.50 72.69 1a5m s THR 535 CO 0.06 -0.57 -0.11 -0.69 -0.54 0.00 0.00 174.62 172.76 1a5m s VAL 536 N -2.27 1.10 -0.19 2.29 1.01 -1.26 -0.76 120.40 120.31 1a5m s VAL 536 Ca -0.01 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 1a5m s VAL 536 Cb -0.04 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1a5m s VAL 536 CO -0.02 0.35 1.21 -0.62 0.00 0.00 0.00 175.10 176.03 1a5m s ASP 537 N 0.82 6.96 0.49 3.32 -1.08 -0.41 -4.91 116.67 121.86 1a5m s ASP 537 Ca -0.12 1.58 0.25 0.00 -0.52 0.00 0.00 52.55 53.74 1a5m s ASP 537 Cb -0.15 -2.54 1.31 0.00 -1.46 0.00 0.00 42.92 40.08 1a5m s ASP 537 CO 0.02 -0.77 1.91 0.00 0.52 0.00 0.00 175.17 176.85 1a5m h ALA 538 N 8.11 2.52 0.00 3.66 0.00 -1.96 0.40 119.26 132.00 1a5m h ALA 538 Ca -0.25 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 1a5m h ALA 538 Cb 1.09 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1a5m h ALA 538 CO 0.98 -0.75 -1.24 1.04 0.00 0.00 0.00 179.25 179.28 1a5m n GLN 539 N -4.38 0.53 0.04 0.00 6.02 -1.26 -4.57 117.38 113.77 1a5m n GLN 539 Ca 0.16 0.46 0.13 0.00 -0.01 0.00 0.00 57.00 57.73 1a5m n GLN 539 Cb 0.76 -1.64 0.32 0.00 1.02 0.00 0.00 30.24 30.70 1a5m n GLN 539 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1a5m n THR 540 N -4.46 0.26 -0.99 5.09 -2.24 -1.21 -4.94 114.28 105.79 1a5m n THR 540 Ca -0.26 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1a5m n THR 540 Cb 0.57 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1a5m n THR 540 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1a5m n TYR 541 N -1.89 0.00 -2.07 4.78 4.01 0.14 -4.94 117.16 117.18 1a5m n TYR 541 Ca 0.05 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.38 1a5m n TYR 541 Cb 0.40 -1.27 -0.02 0.00 -0.31 0.00 0.00 39.34 38.14 1a5m n TYR 541 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1a5m s GLU 542 N -1.25 4.31 -0.17 -0.72 2.02 -1.26 -4.37 118.70 117.25 1a5m s GLU 542 Ca 0.00 2.24 -0.10 0.00 0.02 0.00 0.00 54.97 57.14 1a5m s GLU 542 Cb 0.00 -3.10 -0.05 0.00 0.10 0.00 0.00 34.13 31.08 1a5m s GLU 542 CO 0.00 -0.31 0.16 0.08 0.02 0.00 0.00 175.26 175.21 1a5m s VAL 543 N -0.47 5.41 -0.00 2.63 1.01 -1.26 -1.29 120.40 126.43 1a5m s VAL 543 Ca 0.55 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.79 1a5m s VAL 543 Cb -0.40 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1a5m s VAL 543 CO 0.47 0.48 -0.06 -0.13 0.00 0.00 0.00 175.10 175.86 1a5m s ARG 544 N 0.02 0.48 -0.18 2.72 0.52 0.06 -1.54 118.95 121.03 1a5m s ARG 544 Ca 0.11 -0.24 0.01 0.00 -0.52 0.00 0.00 55.73 55.09 1a5m s ARG 544 Cb -0.12 -0.46 0.02 0.00 0.52 0.00 0.00 34.95 34.92 1a5m s ARG 544 CO 0.00 0.12 -0.19 0.08 0.02 0.00 0.00 175.30 175.34 1a5m s VAL 545 N -0.20 1.98 -1.64 3.52 1.01 0.23 -0.16 120.40 125.14 1a5m s VAL 545 Ca 0.02 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 1a5m s VAL 545 Cb -0.03 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1a5m s VAL 545 CO -0.00 0.52 0.04 0.47 0.00 0.00 0.00 175.10 176.13 1a5m n ASP 546 N 4.64 -5.55 0.00 3.32 8.00 -0.12 -1.16 116.55 125.69 1a5m n ASP 546 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1a5m n ASP 546 Cb 0.50 -4.62 0.00 0.00 -0.02 0.00 0.00 41.12 36.98 1a5m n ASP 546 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5m n GLY 547 N -1.01 3.13 3.76 0.44 0.00 -1.26 -5.02 105.19 105.23 1a5m n GLY 547 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1a5m n GLY 547 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a5m s GLU 548 N -0.36 4.74 0.08 1.61 -1.05 -0.31 -4.97 118.70 118.44 1a5m s GLU 548 Ca 0.00 1.36 -0.30 0.00 -0.15 0.00 0.00 54.97 55.87 1a5m s GLU 548 Cb 0.00 -3.25 -0.06 0.00 -0.44 0.00 0.00 34.13 30.38 1a5m s GLU 548 CO 0.00 0.53 1.14 -1.17 0.95 0.00 0.00 175.26 176.71 1a5m s LEU 549 N -1.21 4.40 -0.20 1.83 2.96 -1.26 -0.61 118.68 124.59 1a5m s LEU 549 Ca 0.39 1.99 -0.06 0.00 -0.22 0.00 0.00 54.13 56.23 1a5m s LEU 549 Cb -0.25 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.83 1a5m s LEU 549 CO 0.29 -0.38 0.03 -0.63 -1.32 0.00 0.00 176.35 174.35 1a5m s ILE 550 N 0.71 4.27 0.13 6.68 -1.09 -0.59 -4.92 121.20 126.40 1a5m s ILE 550 Ca 0.55 -0.20 -0.26 0.00 -2.23 0.00 0.00 60.65 58.51 1a5m s ILE 550 Cb -0.28 -2.94 0.07 0.00 -1.58 0.00 0.00 42.46 37.72 1a5m s ILE 550 CO 0.31 0.42 0.94 0.28 -1.23 0.00 0.00 174.94 175.66 1a5m s THR 551 N 0.93 0.00 0.25 2.92 -1.32 -1.26 -4.48 115.64 112.68 1a5m s THR 551 Ca 0.02 -0.56 -0.12 0.00 -1.21 0.00 0.00 61.69 59.83 1a5m s THR 551 Cb -0.14 -1.83 -0.01 0.00 -1.51 0.00 0.00 72.50 69.01 1a5m s THR 551 CO 0.02 0.00 0.46 -0.94 -2.21 0.00 0.00 174.62 171.95 1a5m s SER 552 N -2.87 -0.04 -0.05 8.08 1.04 -1.25 -4.88 113.70 113.72 1a5m s SER 552 Ca 0.11 -0.98 -0.03 0.00 0.48 0.00 0.00 55.95 55.53 1a5m s SER 552 Cb -0.01 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 1a5m s SER 552 CO 0.00 -1.13 0.10 -1.61 0.98 0.00 0.00 173.24 171.59 1a5m s GLU 553 N -3.98 3.22 0.12 4.02 0.41 -1.26 -4.89 118.70 116.34 1a5m s GLU 553 Ca 0.24 -0.34 -0.31 0.00 -0.41 0.00 0.00 54.97 54.15 1a5m s GLU 553 Cb -0.00 -2.98 -0.07 0.00 -1.78 0.00 0.00 34.13 29.29 1a5m s GLU 553 CO 0.10 0.70 1.33 -1.25 -0.49 0.00 0.00 175.26 175.64 1a5m s PRO 554 N -1.44 4.36 0.31 0.39 0.04 -1.26 -4.88 135.00 132.53 1a5m s PRO 554 Ca 0.20 1.99 -0.28 0.00 0.04 0.00 0.00 61.00 62.95 1a5m s PRO 554 Cb -0.12 -3.26 -0.09 0.00 0.04 0.00 0.00 34.50 31.06 1a5m s PRO 554 CO 0.10 -0.36 1.04 0.00 0.04 0.00 0.00 177.00 177.82 1a5m s ALA 555 N 0.92 3.28 -0.17 8.56 0.00 -0.51 -4.58 121.76 129.25 1a5m s ALA 555 Ca 0.62 0.75 0.06 0.00 0.00 0.00 0.00 51.96 53.39 1a5m s ALA 555 Cb -0.35 -3.27 -0.22 0.00 0.00 0.00 0.00 23.12 19.28 1a5m s ALA 555 CO 0.31 -0.07 0.14 -0.40 0.00 0.00 0.00 175.76 175.74 1a5m n ASP 556 N 0.80 1.30 -4.02 0.00 5.75 -1.26 -0.62 116.55 118.51 1a5m n ASP 556 Ca 0.01 0.07 -0.17 0.00 -0.01 0.00 0.00 54.79 54.69 1a5m n ASP 556 Cb 0.47 -0.09 -0.14 0.00 -1.03 0.00 0.00 41.12 40.34 1a5m n ASP 556 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1a5m s VAL 557 N -2.53 0.62 0.12 2.12 1.01 -1.26 -4.89 120.40 115.59 1a5m s VAL 557 Ca -0.20 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1a5m s VAL 557 Cb 0.07 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1a5m s VAL 557 CO 0.74 0.05 -0.16 -0.76 0.00 0.00 0.00 175.10 174.97 1a5m s LEU 558 N -0.50 2.37 1.01 3.92 1.43 -1.26 -5.14 118.68 120.50 1a5m s LEU 558 Ca 0.01 -0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 52.18 1a5m s LEU 558 Cb -0.04 -0.67 0.21 0.00 0.03 0.00 0.00 46.19 45.72 1a5m s LEU 558 CO 0.00 -0.07 1.26 -2.84 0.23 0.00 0.00 176.35 174.93 1a5m s PRO 559 N -2.39 0.31 -1.59 1.29 0.02 -1.26 -4.09 135.00 127.30 1a5m s PRO 559 Ca 0.08 -0.29 -0.13 0.00 0.02 0.00 0.00 61.00 60.68 1a5m s PRO 559 Cb -0.07 -1.80 0.10 0.00 0.02 0.00 0.00 34.50 32.76 1a5m s PRO 559 CO 0.04 -2.65 0.77 -1.33 -0.33 0.00 0.00 177.00 173.49 1a5m n MET 560 N -3.96 -3.91 0.00 5.54 2.81 -1.26 -4.88 117.12 111.45 1a5m n MET 560 Ca 0.14 0.45 0.00 0.00 -1.81 0.00 0.00 57.70 56.48 1a5m n MET 560 Cb 0.59 -5.10 0.00 0.00 -0.71 0.00 0.00 33.22 28.00 1a5m n MET 560 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a5m n ALA 561 N -4.47 0.00 0.16 3.04 0.00 -1.26 -4.95 120.51 113.03 1a5m n ALA 561 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.50 1a5m n ALA 561 Cb 0.55 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.46 1a5m n ALA 561 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1a5m n GLN 562 N 0.00 0.11 0.17 0.00 6.02 -1.26 -1.74 117.38 120.69 1a5m n GLN 562 Ca 0.00 0.60 0.12 0.00 -0.01 0.00 0.00 57.00 57.71 1a5m n GLN 562 Cb 0.00 -2.01 0.21 0.00 1.02 0.00 0.00 30.24 29.46 1a5m n GLN 562 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1a5m h ARG 563 N 0.00 0.00 0.00 -1.09 2.43 -1.93 -3.37 114.38 110.42 1a5m h ARG 563 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1a5m h ARG 563 Cb 0.29 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1a5m h ARG 563 CO 0.00 0.00 -1.46 0.66 -1.51 0.00 0.00 179.97 177.66 1a5m n TYR 564 N -2.80 0.00 -4.16 2.20 4.02 -0.71 -5.03 117.16 110.68 1a5m n TYR 564 Ca 0.04 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.58 1a5m n TYR 564 Cb 0.50 -0.25 -0.09 0.00 -0.02 0.00 0.00 39.34 39.48 1a5m n TYR 564 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1a5m s PHE 565 N -2.58 3.29 0.14 -0.72 0.08 -1.18 -4.99 117.98 112.02 1a5m s PHE 565 Ca -0.04 0.22 0.20 0.00 0.12 0.00 0.00 56.93 57.44 1a5m s PHE 565 Cb 0.05 -1.91 0.72 0.00 -0.57 0.00 0.00 43.02 41.32 1a5m s PHE 565 CO 0.39 0.43 1.75 1.25 -0.10 0.00 0.00 175.22 178.94 1a5m h LEU 566 N 5.57 0.00 -0.03 -0.37 5.85 -1.94 -3.46 115.31 120.93 1a5m h LEU 566 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1a5m h LEU 566 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1a5m h LEU 566 CO 0.60 0.34 0.00 0.49 -0.34 0.00 0.00 178.44 179.52