#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bag h GLU 5 N 0.00 0.00 -0.44 -1.46 4.81 -2.04 -1.01 114.58 114.44 2bag h GLU 5 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2bag h GLU 5 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2bag h GLU 5 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.56 2bag n LEU 6 N -3.73 3.03 -4.28 1.64 4.77 -1.26 -4.84 117.00 112.34 2bag n LEU 6 Ca -0.01 -1.39 -0.33 0.00 -0.03 0.00 0.00 56.01 54.25 2bag n LEU 6 Cb 0.21 -0.29 -0.15 0.00 -2.33 0.00 0.00 43.42 40.86 2bag n LEU 6 CO 0.26 0.70 -0.48 -0.22 -1.33 0.00 0.00 177.39 176.32 2bag s LEU 7 N -1.30 2.50 -0.02 2.23 2.96 -0.39 0.64 118.68 125.29 2bag s LEU 7 Ca 0.38 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 2bag s LEU 7 Cb 0.21 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 45.34 2bag s LEU 7 CO 0.29 0.10 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.65 2bag s VAL 8 N 0.75 0.66 -0.30 1.68 1.01 -0.13 -4.75 120.40 119.33 2bag s VAL 8 Ca -0.06 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 2bag s VAL 8 Cb -0.15 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 2bag s VAL 8 CO 0.01 0.21 0.18 0.21 0.00 0.00 0.00 175.10 175.72 2bag s ASN 9 N 0.19 5.83 0.48 3.32 2.47 -1.26 0.05 114.94 126.02 2bag s ASN 9 Ca -0.03 -0.27 0.06 0.00 0.42 0.00 0.00 52.86 53.05 2bag s ASN 9 Cb -0.08 -2.08 -0.00 0.00 -1.45 0.00 0.00 41.25 37.64 2bag s ASN 9 CO 0.00 -0.14 0.31 0.42 -3.72 0.00 0.00 177.10 173.97 2bag s THR 10 N 1.70 1.98 -1.06 -5.21 -4.23 -0.30 -4.88 115.64 103.64 2bag s THR 10 Ca 0.06 -1.56 0.14 0.00 -1.18 0.00 0.00 61.69 59.15 2bag s THR 10 Cb -0.17 -2.54 0.14 0.00 1.34 0.00 0.00 72.50 71.27 2bag s THR 10 CO 0.09 0.00 1.44 0.29 -0.54 0.00 0.00 174.62 175.90 2bag n LYS 11 N -1.54 0.03 0.00 3.99 5.02 -1.26 -1.95 118.16 122.45 2bag n LYS 11 Ca -0.02 0.24 0.09 0.00 -2.02 0.00 0.00 58.31 56.60 2bag n LYS 11 Cb 0.64 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 34.06 2bag n LYS 11 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2bag n SER 12 N -1.47 1.01 0.00 4.39 7.64 -1.26 -4.90 113.62 119.03 2bag n SER 12 Ca 0.04 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.92 2bag n SER 12 Cb 0.16 0.92 0.00 0.00 -1.01 0.00 0.00 64.21 64.28 2bag n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bag n GLY 13 N 1.41 1.00 3.82 0.23 0.00 -0.82 -0.70 105.19 110.13 2bag n GLY 13 Ca 0.04 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.72 2bag n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bag s LYS 14 N -1.03 4.24 0.02 1.61 1.02 -1.24 -1.15 119.74 123.20 2bag s LYS 14 Ca 0.00 0.96 0.04 0.00 0.02 0.00 0.00 55.97 56.99 2bag s LYS 14 Cb 0.00 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 2bag s LYS 14 CO 0.00 0.19 -0.12 0.08 -0.92 0.00 0.00 175.35 174.58 2bag s VAL 15 N -1.85 0.95 -0.22 3.17 1.01 0.11 -0.65 120.40 122.92 2bag s VAL 15 Ca 0.53 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 2bag s VAL 15 Cb -0.13 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.43 2bag s VAL 15 CO 0.18 0.10 -0.12 -0.32 0.00 0.00 0.00 175.10 174.95 2bag s MET 16 N -0.73 2.93 0.00 2.72 1.75 0.33 -0.95 119.30 125.35 2bag s MET 16 Ca 0.02 -0.90 0.00 0.00 -1.25 0.00 0.00 55.69 53.56 2bag s MET 16 Cb -0.06 -2.82 0.00 0.00 2.84 0.00 0.00 34.83 34.79 2bag s MET 16 CO 0.00 -0.31 0.00 0.41 -0.65 0.00 0.00 175.02 174.47 2bag n GLY 17 N 4.65 0.33 3.10 2.11 0.00 0.21 -0.54 105.19 115.05 2bag n GLY 17 Ca -0.18 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 2bag n GLY 17 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bag s THR 18 N 0.73 0.05 -0.00 2.61 -1.32 -0.40 -4.68 115.64 112.62 2bag s THR 18 Ca 0.00 -0.38 -0.25 0.00 -1.21 0.00 0.00 61.69 59.85 2bag s THR 18 Cb 0.00 -0.38 -0.05 0.00 -1.51 0.00 0.00 72.50 70.56 2bag s THR 18 CO 0.00 -0.21 0.75 -0.60 -2.21 0.00 0.00 174.62 172.35 2bag s ARG 19 N -0.75 4.47 0.00 7.08 3.52 -1.26 -0.95 118.95 131.06 2bag s ARG 19 Ca -0.08 1.01 0.06 0.00 -0.13 0.00 0.00 55.73 56.59 2bag s ARG 19 Cb -0.05 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.93 2bag s ARG 19 CO 0.01 0.18 -0.19 0.14 -0.81 0.00 0.00 175.30 174.64 2bag s VAL 20 N 0.33 1.47 0.48 7.11 -7.23 0.07 -4.96 120.40 117.66 2bag s VAL 20 Ca 0.39 -0.88 -0.19 0.00 -1.81 0.00 0.00 61.98 59.50 2bag s VAL 20 Cb -0.19 -1.24 -0.09 0.00 0.56 0.00 0.00 36.38 35.42 2bag s VAL 20 CO 0.21 0.35 0.98 -2.16 -0.31 0.00 0.00 175.10 174.17 2bag s PRO 21 N -0.62 4.04 -0.28 4.82 0.04 -1.26 -1.54 135.00 140.21 2bag s PRO 21 Ca 0.07 1.07 -0.13 0.00 0.04 0.00 0.00 61.00 62.05 2bag s PRO 21 Cb -0.07 -2.15 0.10 0.00 0.04 0.00 0.00 34.50 32.42 2bag s PRO 21 CO -0.00 -0.20 0.64 0.08 0.04 0.00 0.00 177.00 177.57 2bag s VAL 22 N -2.38 -0.48 -1.13 -0.36 1.01 -0.31 -4.90 120.40 111.85 2bag s VAL 22 Ca 0.61 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.48 2bag s VAL 22 Cb -0.10 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.33 2bag s VAL 22 CO 0.23 0.01 0.24 0.18 0.00 0.00 0.00 175.10 175.75 2bag n LEU 23 N 4.88 -0.47 -3.25 3.92 4.77 -1.26 -0.43 117.00 125.17 2bag n LEU 23 Ca -0.16 -1.04 -0.24 0.00 -0.03 0.00 0.00 56.01 54.55 2bag n LEU 23 Cb 0.54 -1.27 0.03 0.00 -2.33 0.00 0.00 43.42 40.39 2bag n LEU 23 CO -0.02 0.51 0.04 -1.54 -1.33 0.00 0.00 177.39 175.04 2bag n SER 24 N -1.93 -5.63 -0.11 -1.43 3.41 -1.26 -4.95 113.62 101.71 2bag n SER 24 Ca -0.19 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 2bag n SER 24 Cb 0.51 -4.54 0.00 0.00 -0.26 0.00 0.00 64.21 59.92 2bag n SER 24 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2bag n SER 25 N -2.59 0.00 -3.67 4.04 2.88 0.43 -5.18 113.62 109.53 2bag n SER 25 Ca -0.06 -0.11 -0.13 0.00 -1.33 0.00 0.00 58.87 57.24 2bag n SER 25 Cb 0.59 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.99 2bag n SER 25 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2bag s HIS 26 N -2.29 -0.25 0.29 0.66 3.76 -1.26 -1.17 115.29 115.02 2bag s HIS 26 Ca 0.00 0.21 -0.04 0.00 -0.15 0.00 0.00 55.06 55.08 2bag s HIS 26 Cb 0.00 0.21 -0.01 0.00 1.11 0.00 0.00 32.58 33.89 2bag s HIS 26 CO 0.00 -0.57 0.39 0.96 -0.85 0.00 0.00 174.74 174.67 2bag s ILE 27 N -2.49 0.00 0.12 0.60 -4.36 -0.59 -4.40 121.20 110.09 2bag s ILE 27 Ca -0.05 -1.67 -0.01 0.00 -0.26 0.00 0.00 60.65 58.66 2bag s ILE 27 Cb -0.01 -2.48 -0.04 0.00 1.25 0.00 0.00 42.46 41.17 2bag s ILE 27 CO -0.03 0.00 0.30 -0.44 0.24 0.00 0.00 174.94 175.01 2bag s SER 28 N -3.17 6.40 -0.03 4.36 0.01 -0.38 -0.76 113.70 120.12 2bag s SER 28 Ca 0.31 0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.94 2bag s SER 28 Cb 0.01 -2.00 0.03 0.00 0.21 0.00 0.00 66.02 64.27 2bag s SER 28 CO 0.16 0.08 -0.01 0.00 0.41 0.00 0.00 173.24 173.88 2bag s ALA 29 N -1.64 0.43 -0.34 1.44 0.00 -0.12 -0.92 121.76 120.61 2bag s ALA 29 Ca 0.37 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2bag s ALA 29 Cb -0.12 -0.36 0.08 0.00 0.00 0.00 0.00 23.12 22.72 2bag s ALA 29 CO 0.27 -0.06 0.06 -0.06 0.00 0.00 0.00 175.76 175.97 2bag s PHE 30 N 1.00 3.50 0.01 0.00 0.40 0.12 -1.28 117.98 121.73 2bag s PHE 30 Ca -0.10 -2.41 0.02 0.00 -0.60 0.00 0.00 56.93 53.84 2bag s PHE 30 Cb -0.14 -2.64 -0.04 0.00 0.51 0.00 0.00 43.02 40.71 2bag s PHE 30 CO -0.01 -0.90 0.00 -0.51 0.70 0.00 0.00 175.22 174.49 2bag s LEU 31 N 1.10 3.50 -0.76 -0.37 1.43 -0.25 -0.44 118.68 122.90 2bag s LEU 31 Ca 0.03 -0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 2bag s LEU 31 Cb -0.20 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 43.98 2bag s LEU 31 CO -0.04 0.27 0.66 0.61 0.23 0.00 0.00 176.35 178.07 2bag n GLY 32 N 1.29 0.12 3.68 -3.19 0.00 -1.09 -4.03 105.19 101.98 2bag n GLY 32 Ca -0.14 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2bag n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bag s ILE 33 N -3.18 4.86 0.17 -0.61 1.01 -0.29 -4.79 121.20 118.37 2bag s ILE 33 Ca 0.33 1.80 -0.30 0.00 0.00 0.00 0.00 60.65 62.48 2bag s ILE 33 Cb -0.14 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 38.05 2bag s ILE 33 CO 0.40 0.05 1.08 -2.16 0.00 0.00 0.00 174.94 174.31 2bag s PRO 34 N 1.90 4.61 0.00 2.79 0.04 -1.26 -0.35 135.00 142.73 2bag s PRO 34 Ca 0.43 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2bag s PRO 34 Cb -0.18 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2bag s PRO 34 CO 0.16 0.09 0.39 1.97 0.04 0.00 0.00 177.00 179.65 2bag n PHE 35 N 2.45 0.00 -3.79 0.56 1.16 -1.15 -4.89 117.46 111.80 2bag n PHE 35 Ca 0.03 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.50 2bag n PHE 35 Cb 0.47 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.26 2bag n PHE 35 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2bag s ALA 36 N -0.05 -0.53 0.47 1.98 0.00 -1.26 -3.11 121.76 119.25 2bag s ALA 36 Ca 0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.52 2bag s ALA 36 Cb 0.00 0.38 -0.07 0.00 0.00 0.00 0.00 23.12 23.43 2bag s ALA 36 CO 0.00 -0.44 1.25 -1.21 0.00 0.00 0.00 175.76 175.36 2bag s GLU 37 N -2.97 3.65 -0.01 0.00 0.41 0.11 -4.53 118.70 115.36 2bag s GLU 37 Ca -0.02 2.00 -0.33 0.00 -0.41 0.00 0.00 54.97 56.21 2bag s GLU 37 Cb 0.01 -2.46 -0.11 0.00 -1.78 0.00 0.00 34.13 29.78 2bag s GLU 37 CO -0.06 -0.71 1.86 -2.30 -0.49 0.00 0.00 175.26 173.57 2bag n PRO 38 N -0.47 2.38 -0.90 0.39 -0.02 -1.26 -4.63 135.00 130.49 2bag n PRO 38 Ca 0.07 0.87 -0.21 0.00 -2.02 0.00 0.00 63.50 62.21 2bag n PRO 38 Cb 0.46 -2.74 -0.07 0.00 -0.02 0.00 0.00 33.50 31.14 2bag n PRO 38 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2bag n PRO 39 N 6.37 2.31 -3.84 0.52 -0.04 -1.26 -4.89 135.00 134.18 2bag n PRO 39 Ca 0.21 -1.38 -0.21 0.00 -0.04 0.00 0.00 63.50 62.07 2bag n PRO 39 Cb 0.33 -2.32 -0.04 0.00 -0.04 0.00 0.00 33.50 31.43 2bag n PRO 39 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2bag s VAL 40 N 2.29 3.33 0.00 0.52 -7.23 -1.26 -3.65 120.40 114.41 2bag s VAL 40 Ca 0.52 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2bag s VAL 40 Cb 0.18 -3.13 0.00 0.00 0.56 0.00 0.00 36.38 33.99 2bag s VAL 40 CO -0.03 -0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 2bag n GLY 41 N -1.35 3.64 0.00 2.32 0.00 -1.26 -1.65 105.19 106.89 2bag n GLY 41 Ca -0.01 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.00 2bag n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bag n ASN 42 N 6.42 0.00 -0.12 1.61 3.02 -1.26 -2.05 115.26 122.88 2bag n ASN 42 Ca 0.00 0.29 0.13 0.00 -0.03 0.00 0.00 54.58 54.97 2bag n ASN 42 Cb 0.00 -0.39 0.35 0.00 -0.61 0.00 0.00 39.78 39.13 2bag n ASN 42 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2bag n MET 43 N -1.39 0.42 -1.72 3.52 2.81 -0.66 -4.84 117.12 115.26 2bag n MET 43 Ca 0.05 -0.23 -0.42 0.00 -1.81 0.00 0.00 57.70 55.28 2bag n MET 43 Cb 0.12 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.11 2bag n MET 43 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2bag n ARG 44 N -1.09 2.80 -0.03 0.03 0.63 -0.87 -0.72 116.66 117.40 2bag n ARG 44 Ca 0.09 1.01 0.00 0.00 -0.92 0.00 0.00 57.85 58.03 2bag n ARG 44 Cb 0.34 -2.85 0.00 0.00 0.45 0.00 0.00 32.46 30.39 2bag n ARG 44 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2bag n PHE 45 N 3.90 0.00 -2.59 -0.14 3.72 -1.26 -4.87 117.46 116.21 2bag n PHE 45 Ca 0.16 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.25 2bag n PHE 45 Cb 0.35 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.87 2bag n PHE 45 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2bag s ARG 46 N -0.17 3.76 0.57 -1.08 3.52 0.10 -4.14 118.95 121.52 2bag s ARG 46 Ca 0.00 0.57 -0.20 0.00 -0.13 0.00 0.00 55.73 55.97 2bag s ARG 46 Cb 0.00 -2.29 -0.04 0.00 -1.56 0.00 0.00 34.95 31.06 2bag s ARG 46 CO 0.00 -0.18 1.27 0.54 -0.81 0.00 0.00 175.30 176.11 2bag n ARG 47 N -1.69 1.42 -1.58 5.12 1.74 -1.26 -4.91 116.66 115.49 2bag n ARG 47 Ca 0.03 0.53 -0.32 0.00 -0.77 0.00 0.00 57.85 57.33 2bag n ARG 47 Cb 0.54 -2.48 0.06 0.00 -1.02 0.00 0.00 32.46 29.56 2bag n ARG 47 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2bag s PRO 48 N -2.94 2.78 0.04 5.56 0.04 -1.26 -5.05 135.00 134.17 2bag s PRO 48 Ca 0.75 1.11 0.07 0.00 0.04 0.00 0.00 61.00 62.96 2bag s PRO 48 Cb -0.41 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 2bag s PRO 48 CO 0.47 -1.23 -0.16 -1.21 0.04 0.00 0.00 177.00 174.91 2bag s GLU 49 N -4.73 2.13 0.38 4.56 2.02 -1.26 -5.01 118.70 116.79 2bag s GLU 49 Ca 0.61 -0.96 -0.27 0.00 0.02 0.00 0.00 54.97 54.37 2bag s GLU 49 Cb -0.16 -2.24 -0.11 0.00 0.10 0.00 0.00 34.13 31.72 2bag s GLU 49 CO 0.51 0.54 1.37 -2.30 0.02 0.00 0.00 175.26 175.40 2bag n PRO 50 N 1.44 2.29 -2.01 0.39 -0.02 -1.26 0.05 135.00 135.88 2bag n PRO 50 Ca -0.16 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 2bag n PRO 50 Cb 0.52 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 2bag n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2bag s LYS 51 N -2.08 4.20 0.19 -0.52 2.47 -1.18 -4.00 119.74 118.82 2bag s LYS 51 Ca 0.56 2.20 -0.32 0.00 -1.56 0.00 0.00 55.97 56.86 2bag s LYS 51 Cb -0.51 -3.86 -0.12 0.00 -1.46 0.00 0.00 37.83 31.88 2bag s LYS 51 CO 0.62 -0.79 1.76 0.15 0.16 0.00 0.00 175.35 177.24 2bag s LYS 52 N 3.56 4.12 0.70 4.03 3.01 -1.26 -4.91 119.74 128.99 2bag s LYS 52 Ca 0.73 2.62 -0.16 0.00 -1.01 0.00 0.00 55.97 58.14 2bag s LYS 52 Cb -0.35 -3.19 -0.03 0.00 -1.01 0.00 0.00 37.83 33.25 2bag s LYS 52 CO 0.30 -0.78 0.71 -2.30 0.51 0.00 0.00 175.35 173.79 2bag n PRO 53 N 4.38 0.44 -4.35 -1.68 -0.02 -1.26 -5.01 135.00 127.51 2bag n PRO 53 Ca 0.16 0.19 -0.27 0.00 -2.02 0.00 0.00 63.50 61.57 2bag n PRO 53 Cb 0.36 -1.98 -0.13 0.00 -0.02 0.00 0.00 33.50 31.73 2bag n PRO 53 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2bag s TRP 54 N -1.83 2.07 0.40 6.00 -2.14 0.12 -5.02 118.94 118.54 2bag s TRP 54 Ca 0.69 -0.40 -0.01 0.00 2.66 0.00 0.00 56.10 59.05 2bag s TRP 54 Cb -0.36 -1.12 -0.03 0.00 -3.10 0.00 0.00 33.47 28.86 2bag s TRP 54 CO 0.54 0.28 0.64 -1.54 -2.66 0.00 0.00 176.95 174.20 2bag s SER 55 N -1.98 6.17 0.00 -2.66 1.04 -1.26 -4.40 113.70 110.62 2bag s SER 55 Ca 0.10 0.53 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2bag s SER 55 Cb -0.10 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.05 2bag s SER 55 CO 0.05 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2bag n GLY 56 N -1.97 -2.14 3.43 7.32 0.00 -1.26 -4.85 105.19 105.71 2bag n GLY 56 Ca -0.02 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 2bag n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bag s VAL 57 N -0.17 4.00 -0.12 1.61 1.01 -1.26 -3.68 120.40 121.78 2bag s VAL 57 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 2bag s VAL 57 Cb 0.00 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 2bag s VAL 57 CO 0.00 0.40 1.10 0.86 0.00 0.00 0.00 175.10 177.46 2bag s TRP 58 N 1.27 3.30 -0.44 5.22 -0.11 0.18 -4.86 118.94 123.49 2bag s TRP 58 Ca 0.04 1.38 -0.29 0.00 1.22 0.00 0.00 56.10 58.45 2bag s TRP 58 Cb -0.15 -3.31 0.01 0.00 -1.50 0.00 0.00 33.47 28.52 2bag s TRP 58 CO 0.02 -0.79 1.37 1.21 -4.62 0.00 0.00 176.95 174.14 2bag s ASN 59 N 1.34 6.35 -0.58 5.86 3.84 -1.26 -0.51 114.94 129.98 2bag s ASN 59 Ca 0.51 0.71 0.04 0.00 0.21 0.00 0.00 52.86 54.32 2bag s ASN 59 Cb -0.20 -2.54 0.38 0.00 -0.55 0.00 0.00 41.25 38.34 2bag s ASN 59 CO 0.17 -1.44 1.25 0.00 -2.79 0.00 0.00 177.10 174.28 2bag n ALA 60 N 8.77 5.24 0.55 1.71 0.00 0.30 -4.69 120.51 132.40 2bag n ALA 60 Ca 0.15 -4.43 0.07 0.00 0.00 0.00 0.00 53.44 49.23 2bag n ALA 60 Cb 0.48 -0.92 -0.09 0.00 0.00 0.00 0.00 19.45 18.93 2bag n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bag n SER 61 N -0.39 0.85 -4.18 0.00 3.41 -1.25 -1.09 113.62 110.97 2bag n SER 61 Ca 0.39 -0.69 -0.15 0.00 -0.26 0.00 0.00 58.87 58.17 2bag n SER 61 Cb 0.49 1.12 -0.11 0.00 -0.26 0.00 0.00 64.21 65.46 2bag n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2bag s THR 62 N -2.47 0.99 0.47 6.66 -4.23 -1.26 -4.85 115.64 110.96 2bag s THR 62 Ca 0.03 -1.60 -0.24 0.00 -1.18 0.00 0.00 61.69 58.70 2bag s THR 62 Cb 0.11 -1.33 -0.07 0.00 1.34 0.00 0.00 72.50 72.55 2bag s THR 62 CO 0.59 -0.50 1.39 -0.31 -0.54 0.00 0.00 174.62 175.25 2bag s TYR 63 N -2.25 2.46 0.99 3.99 2.02 -1.26 -3.72 117.35 119.57 2bag s TYR 63 Ca 0.05 1.31 -0.16 0.00 -0.37 0.00 0.00 57.07 57.90 2bag s TYR 63 Cb -0.04 -3.85 0.21 0.00 -0.40 0.00 0.00 41.96 37.88 2bag s TYR 63 CO 0.01 -2.81 1.29 -1.25 -1.57 0.00 0.00 175.55 171.22 2bag s PRO 64 N -2.55 0.44 0.94 -1.71 0.04 -1.26 -4.88 135.00 126.01 2bag s PRO 64 Ca 0.63 -0.35 -0.12 0.00 0.04 0.00 0.00 61.00 61.21 2bag s PRO 64 Cb -0.42 -1.82 0.15 0.00 0.04 0.00 0.00 34.50 32.46 2bag s PRO 64 CO 0.53 -2.56 1.09 -0.80 0.04 0.00 0.00 177.00 175.29 2bag s ASN 65 N -4.75 3.10 0.10 6.66 0.01 -1.26 -4.86 114.94 113.94 2bag s ASN 65 Ca 0.73 1.50 0.03 0.00 -0.71 0.00 0.00 52.86 54.41 2bag s ASN 65 Cb -0.05 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.40 2bag s ASN 65 CO 0.53 -2.88 0.14 0.20 -1.51 0.00 0.00 177.10 173.58 2bag s ASN 66 N -3.29 5.75 0.73 -1.22 0.02 -0.73 -4.82 114.94 111.38 2bag s ASN 66 Ca 0.64 0.03 -0.14 0.00 -1.02 0.00 0.00 52.86 52.37 2bag s ASN 66 Cb -0.19 -1.60 0.04 0.00 0.02 0.00 0.00 41.25 39.52 2bag s ASN 66 CO 0.58 0.13 1.14 0.00 0.02 0.00 0.00 177.10 178.98 2bag s GLN 68 N -4.22 4.21 0.06 0.00 -1.52 -1.21 -4.57 119.66 112.40 2bag s GLN 68 Ca 0.69 2.40 -0.27 0.00 -1.95 0.00 0.00 55.36 56.23 2bag s GLN 68 Cb -0.23 -3.12 0.08 0.00 -0.22 0.00 0.00 33.01 29.52 2bag s GLN 68 CO 0.47 -0.58 0.69 1.14 -0.25 0.00 0.00 175.29 176.77 2bag s GLN 69 N 0.51 1.11 0.57 2.91 -2.07 -1.26 -4.64 119.66 116.78 2bag s GLN 69 Ca 0.67 -0.20 -0.20 0.00 -1.82 0.00 0.00 55.36 53.81 2bag s GLN 69 Cb -0.44 0.51 -0.05 0.00 -1.09 0.00 0.00 33.01 31.93 2bag s GLN 69 CO 0.37 -0.44 1.05 0.98 -1.32 0.00 0.00 175.29 175.93 2bag n TYR 70 N 0.07 1.18 -4.46 9.60 9.36 -1.25 -4.99 117.16 126.66 2bag n TYR 70 Ca -0.16 0.45 -0.29 0.00 3.32 0.00 0.00 57.90 61.22 2bag n TYR 70 Cb 0.62 -2.20 -0.17 0.00 -0.63 0.00 0.00 39.34 36.97 2bag n TYR 70 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2bag s VAL 71 N -1.44 1.56 0.00 2.97 1.01 -1.26 -4.89 120.40 118.36 2bag s VAL 71 Ca 0.73 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 2bag s VAL 71 Cb -0.43 -1.42 -0.06 0.00 0.00 0.00 0.00 36.38 34.46 2bag s VAL 71 CO 0.49 0.45 1.60 -0.62 0.00 0.00 0.00 175.10 177.01 2bag s ASP 72 N 0.99 6.69 -0.05 3.32 -1.08 -1.26 -4.87 116.67 120.40 2bag s ASP 72 Ca -0.06 2.30 0.07 0.00 -0.52 0.00 0.00 52.55 54.33 2bag s ASP 72 Cb -0.15 -2.55 0.11 0.00 -1.46 0.00 0.00 42.92 38.87 2bag s ASP 72 CO -0.02 -0.86 0.98 -0.62 0.52 0.00 0.00 175.17 175.16 2bag n GLU 73 N 6.19 1.15 -0.33 4.34 1.02 -1.26 -4.81 120.64 126.94 2bag n GLU 73 Ca 0.16 -1.61 0.01 0.00 -0.02 0.00 0.00 57.16 55.70 2bag n GLU 73 Cb 0.42 -0.98 0.18 0.00 -0.02 0.00 0.00 31.44 31.05 2bag n GLU 73 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2bag h GLN 74 N 0.00 1.14 -2.25 3.49 1.08 -2.00 -3.33 115.11 113.24 2bag h GLN 74 Ca 0.00 -0.07 -0.58 0.00 -1.45 0.00 0.00 58.65 56.55 2bag h GLN 74 Cb 0.99 -0.26 -0.40 0.00 -0.05 0.00 0.00 27.48 27.76 2bag h GLN 74 CO 0.00 0.76 -0.87 1.19 -0.95 0.00 0.00 178.83 178.95 2bag n PHE 75 N -4.44 1.12 -1.63 2.96 3.72 -1.26 -5.10 117.46 112.82 2bag n PHE 75 Ca 0.13 -3.78 -0.55 0.00 -0.05 0.00 0.00 57.45 53.20 2bag n PHE 75 Cb 0.10 -0.33 -0.07 0.00 -0.94 0.00 0.00 39.48 38.24 2bag n PHE 75 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2bag n PRO 76 N 1.58 1.06 0.00 -1.08 -0.02 -1.25 -0.42 135.00 134.87 2bag n PRO 76 Ca 0.25 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2bag n PRO 76 Cb 0.46 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2bag n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bag n GLY 77 N 3.11 2.77 3.68 -1.23 0.00 -1.26 -4.99 105.19 107.26 2bag n GLY 77 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 2bag n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2bag s PHE 78 N -2.19 3.22 0.35 1.61 5.36 0.44 -4.92 117.98 121.86 2bag s PHE 78 Ca 0.00 1.30 0.11 0.00 -0.96 0.00 0.00 56.93 57.38 2bag s PHE 78 Cb 0.00 -3.36 0.66 0.00 -0.34 0.00 0.00 43.02 39.98 2bag s PHE 78 CO 0.00 -1.00 1.80 0.66 -1.46 0.00 0.00 175.22 175.22 2bag h SER 79 N 7.52 0.07 -0.98 6.13 4.64 -1.94 -2.06 113.55 126.93 2bag h SER 79 Ca -0.29 -0.03 0.17 0.00 -0.47 0.00 0.00 61.79 61.17 2bag h SER 79 Cb 1.13 -0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 63.11 2bag h SER 79 CO 0.91 0.44 0.61 1.23 -0.87 0.00 0.00 176.83 179.15 2bag h GLY 80 N 1.13 1.58 0.08 -0.77 0.00 -1.94 -1.67 103.07 101.47 2bag h GLY 80 Ca 0.01 -0.35 -0.37 0.00 0.00 0.00 0.00 47.33 46.61 2bag h GLY 80 CO 0.05 0.02 -2.38 -1.14 0.00 0.00 0.00 176.54 173.09 2bag n SER 81 N -4.67 0.96 0.24 0.19 3.41 -1.18 -4.46 113.62 108.10 2bag n SER 81 Ca 0.21 -0.03 0.15 0.00 -0.26 0.00 0.00 58.87 58.95 2bag n SER 81 Cb 0.52 0.28 0.55 0.00 -0.26 0.00 0.00 64.21 65.30 2bag n SER 81 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2bag h GLU 82 N 0.00 0.00 0.00 4.33 5.08 -1.23 -2.71 114.58 120.05 2bag h GLU 82 Ca -0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2bag h GLU 82 Cb 2.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.33 2bag h GLU 82 CO -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.00 2bag h MET 83 N 0.00 0.00 0.00 2.33 -0.00 -1.52 -2.06 114.93 113.68 2bag h MET 83 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2bag h MET 83 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.19 2bag h MET 83 CO 0.00 0.00 -1.24 0.91 -0.00 0.00 0.00 176.91 176.58 2bag n TRP 84 N -2.60 0.68 -1.45 -0.10 7.02 -1.02 -4.64 117.44 115.32 2bag n TRP 84 Ca -0.00 0.20 -0.31 0.00 -1.02 0.00 0.00 57.50 56.37 2bag n TRP 84 Cb 0.17 -0.81 0.08 0.00 -2.42 0.00 0.00 31.31 28.33 2bag n TRP 84 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2bag s ASN 85 N -5.03 4.78 0.26 -0.99 0.01 -0.78 -4.71 114.94 108.47 2bag s ASN 85 Ca -0.02 1.59 -0.31 0.00 -0.71 0.00 0.00 52.86 53.41 2bag s ASN 85 Cb 0.11 -2.37 -0.12 0.00 0.41 0.00 0.00 41.25 39.29 2bag s ASN 85 CO 0.82 -1.83 1.66 -2.84 -1.51 0.00 0.00 177.10 173.40 2bag s PRO 86 N -5.02 4.12 -0.13 -0.60 0.02 -1.26 -4.87 135.00 127.25 2bag s PRO 86 Ca 0.60 2.61 0.15 0.00 0.02 0.00 0.00 61.00 64.37 2bag s PRO 86 Cb -0.15 -3.04 0.49 0.00 0.02 0.00 0.00 34.50 31.82 2bag s PRO 86 CO 0.55 -0.70 1.40 0.27 -0.33 0.00 0.00 177.00 178.20 2bag n ASN 87 N 3.00 3.75 -4.26 2.53 6.94 -1.26 -4.95 115.26 121.02 2bag n ASN 87 Ca 0.12 -2.70 -0.14 0.00 -0.02 0.00 0.00 54.58 51.84 2bag n ASN 87 Cb 0.36 -0.47 -0.10 0.00 -2.36 0.00 0.00 39.78 37.22 2bag n ASN 87 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2bag s ARG 88 N -2.26 1.16 0.47 -3.83 1.81 -1.26 -5.10 118.95 109.94 2bag s ARG 88 Ca 0.38 -1.57 -0.24 0.00 -1.72 0.00 0.00 55.73 52.58 2bag s ARG 88 Cb 0.28 -0.35 -0.07 0.00 -0.45 0.00 0.00 34.95 34.36 2bag s ARG 88 CO 0.12 -0.12 1.35 -2.00 -0.68 0.00 0.00 175.30 173.97 2bag s GLU 89 N -3.90 3.61 0.25 3.54 2.12 -1.26 -4.58 118.70 118.47 2bag s GLU 89 Ca 0.25 2.23 -0.08 0.00 0.36 0.00 0.00 54.97 57.72 2bag s GLU 89 Cb 0.06 -2.54 -0.07 0.00 0.26 0.00 0.00 34.13 31.84 2bag s GLU 89 CO 0.05 -0.81 0.56 -1.64 -0.54 0.00 0.00 175.26 172.88 2bag s MET 90 N -2.56 3.75 -0.11 4.30 -1.94 -1.26 -1.77 119.30 119.71 2bag s MET 90 Ca 0.63 0.21 -0.30 0.00 -1.71 0.00 0.00 55.69 54.52 2bag s MET 90 Cb -0.40 -2.64 0.11 0.00 2.01 0.00 0.00 34.83 33.92 2bag s MET 90 CO 0.49 0.27 0.89 0.45 -0.01 0.00 0.00 175.02 177.12 2bag s SER 91 N -2.61 -0.45 0.50 3.03 0.15 -0.22 -4.89 113.70 109.21 2bag s SER 91 Ca 0.47 0.44 0.31 0.00 0.70 0.00 0.00 55.95 57.87 2bag s SER 91 Cb -0.11 0.38 1.21 0.00 -1.71 0.00 0.00 66.02 65.79 2bag s SER 91 CO 0.24 -0.45 1.91 -0.33 1.20 0.00 0.00 173.24 175.81 2bag h GLU 92 N 2.61 0.00 -5.23 5.44 5.08 -1.94 -3.21 114.58 117.33 2bag h GLU 92 Ca -0.21 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.46 2bag h GLU 92 Cb 1.17 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.27 2bag h GLU 92 CO 0.33 0.00 1.28 0.34 -1.00 0.00 0.00 179.01 179.97 2bag s ASP 93 N -5.56 6.77 0.00 1.42 -1.08 -1.26 -4.24 116.67 112.71 2bag s ASP 93 Ca 0.02 -2.29 0.00 0.00 -0.52 0.00 0.00 52.55 49.76 2bag s ASP 93 Cb 0.09 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 2bag s ASP 93 CO 0.54 -1.05 0.40 0.00 0.52 0.00 0.00 175.17 175.58 2bag s LEU 95 N -0.06 4.18 0.14 0.00 1.43 -1.26 -4.69 118.68 118.42 2bag s LEU 95 Ca 0.00 -1.91 0.01 0.00 -1.03 0.00 0.00 54.13 51.20 2bag s LEU 95 Cb 0.00 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 2bag s LEU 95 CO 0.00 -1.25 0.01 -0.31 0.23 0.00 0.00 176.35 175.03 2bag s TYR 96 N 3.85 1.00 0.18 0.29 1.51 -1.26 -2.92 117.35 120.01 2bag s TYR 96 Ca 0.43 -1.08 0.04 0.00 -1.01 0.00 0.00 57.07 55.44 2bag s TYR 96 Cb -0.01 -0.58 -0.05 0.00 -0.11 0.00 0.00 41.96 41.21 2bag s TYR 96 CO -0.07 -0.32 -0.06 -0.48 -1.11 0.00 0.00 175.55 173.51 2bag s LEU 97 N -3.10 2.38 -0.01 -1.29 0.05 0.53 -2.92 118.68 114.32 2bag s LEU 97 Ca 0.21 -1.10 0.05 0.00 0.05 0.00 0.00 54.13 53.35 2bag s LEU 97 Cb 0.07 -0.32 -0.01 0.00 -2.05 0.00 0.00 46.19 43.88 2bag s LEU 97 CO 0.01 -0.40 -0.17 0.20 -0.55 0.00 0.00 176.35 175.44 2bag s ASN 98 N -3.23 2.00 -0.06 1.48 0.01 0.16 -1.13 114.94 114.17 2bag s ASN 98 Ca 0.22 -0.31 0.02 0.00 -0.71 0.00 0.00 52.86 52.08 2bag s ASN 98 Cb 0.04 -0.24 0.02 0.00 0.41 0.00 0.00 41.25 41.48 2bag s ASN 98 CO 0.04 0.21 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.11 2bag s ILE 99 N -0.38 0.93 -0.19 0.60 1.01 0.41 -0.93 121.20 122.65 2bag s ILE 99 Ca 0.06 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.32 2bag s ILE 99 Cb -0.07 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 2bag s ILE 99 CO -0.01 0.31 -0.05 0.26 0.00 0.00 0.00 174.94 175.45 2bag s TRP 100 N 0.73 2.96 -0.10 3.97 0.51 -0.22 0.13 118.94 126.92 2bag s TRP 100 Ca -0.14 -0.68 0.04 0.00 -2.12 0.00 0.00 56.10 53.20 2bag s TRP 100 Cb -0.15 -2.03 -0.00 0.00 -0.81 0.00 0.00 33.47 30.48 2bag s TRP 100 CO 0.03 -0.34 -0.24 0.08 -0.51 0.00 0.00 176.95 175.96 2bag s VAL 101 N 1.00 2.05 0.87 4.03 1.01 -0.10 -1.96 120.40 127.31 2bag s VAL 101 Ca 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 2bag s VAL 101 Cb -0.15 -1.77 0.08 0.00 0.00 0.00 0.00 36.38 34.55 2bag s VAL 101 CO 0.00 0.56 0.94 -2.65 0.00 0.00 0.00 175.10 173.95 2bag n PRO 102 N 3.47 -0.15 -4.40 2.72 -0.02 -1.26 -1.25 135.00 134.11 2bag n PRO 102 Ca -0.19 0.02 -0.25 0.00 -2.02 0.00 0.00 63.50 61.06 2bag n PRO 102 Cb 0.53 -2.23 -0.17 0.00 -0.02 0.00 0.00 33.50 31.62 2bag n PRO 102 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2bag s SER 103 N -2.22 1.85 0.68 2.55 0.15 -1.26 -2.90 113.70 112.55 2bag s SER 103 Ca 0.67 -0.30 -0.15 0.00 0.70 0.00 0.00 55.95 56.87 2bag s SER 103 Cb -0.26 -0.82 0.01 0.00 -1.71 0.00 0.00 66.02 63.24 2bag s SER 103 CO 0.58 -0.01 1.14 -2.16 1.20 0.00 0.00 173.24 174.00 2bag s PRO 104 N 0.93 2.61 -0.12 5.44 0.04 -1.26 -4.96 135.00 137.68 2bag s PRO 104 Ca -0.10 1.53 -0.37 0.00 0.04 0.00 0.00 61.00 62.11 2bag s PRO 104 Cb -0.15 -1.91 -0.14 0.00 0.04 0.00 0.00 34.50 32.34 2bag s PRO 104 CO 0.01 -1.42 1.75 -2.13 0.04 0.00 0.00 177.00 175.24 2bag n ARG 105 N -2.44 1.68 -0.82 4.56 0.63 -1.14 -4.96 116.66 114.17 2bag n ARG 105 Ca 0.11 0.62 -0.28 0.00 -0.92 0.00 0.00 57.85 57.38 2bag n ARG 105 Cb 0.51 -2.37 0.23 0.00 0.45 0.00 0.00 32.46 31.28 2bag n ARG 105 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2bag s PRO 106 N 3.22 -0.56 -0.25 -0.14 0.04 -1.26 -4.98 135.00 131.07 2bag s PRO 106 Ca 0.93 0.59 -0.08 0.00 0.04 0.00 0.00 61.00 62.48 2bag s PRO 106 Cb -0.86 -1.62 -0.16 0.00 0.04 0.00 0.00 34.50 31.90 2bag s PRO 106 CO 0.55 -3.42 -0.17 1.63 0.04 0.00 0.00 177.00 175.63 2bag n LYS 107 N -4.67 0.63 -2.85 4.56 4.76 -1.25 -4.06 118.16 115.28 2bag n LYS 107 Ca 0.04 0.26 -0.10 0.00 -2.87 0.00 0.00 58.31 55.63 2bag n LYS 107 Cb 0.56 -1.55 0.02 0.00 -1.84 0.00 0.00 35.03 32.21 2bag n LYS 107 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2bag n SER 108 N -3.83 -2.46 -4.90 4.39 2.88 -0.99 -4.37 113.62 104.34 2bag n SER 108 Ca -0.47 -3.08 -0.20 0.00 -1.33 0.00 0.00 58.87 53.79 2bag n SER 108 Cb 0.92 1.33 -0.02 0.00 -0.75 0.00 0.00 64.21 65.68 2bag n SER 108 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2bag s THR 109 N 0.43 3.01 0.26 2.46 -4.23 -0.15 -4.52 115.64 112.90 2bag s THR 109 Ca 0.32 -1.28 -0.30 0.00 -1.18 0.00 0.00 61.69 59.25 2bag s THR 109 Cb 0.16 -3.07 -0.14 0.00 1.34 0.00 0.00 72.50 70.79 2bag s THR 109 CO -0.18 -0.05 1.29 0.41 -0.54 0.00 0.00 174.62 175.55 2bag n THR 110 N -1.55 1.30 -4.87 3.99 -1.04 -1.26 -0.92 114.28 109.94 2bag n THR 110 Ca 0.03 -0.33 -0.33 0.00 -2.04 0.00 0.00 64.05 61.38 2bag n THR 110 Cb 0.61 -1.34 -0.13 0.00 -1.82 0.00 0.00 70.33 67.65 2bag n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2bag s VAL 111 N -0.43 3.12 -0.08 12.58 1.01 -0.90 -0.87 120.40 134.83 2bag s VAL 111 Ca 0.65 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2bag s VAL 111 Cb -0.67 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 33.50 2bag s VAL 111 CO 0.54 0.59 -0.10 -0.04 0.00 0.00 0.00 175.10 176.09 2bag s MET 112 N -0.71 1.58 -0.22 2.72 -1.94 -0.50 -0.55 119.30 119.67 2bag s MET 112 Ca 0.11 -0.34 -0.02 0.00 -1.71 0.00 0.00 55.69 53.72 2bag s MET 112 Cb -0.11 -1.40 0.01 0.00 2.01 0.00 0.00 34.83 35.34 2bag s MET 112 CO 0.01 -0.06 -0.08 0.08 -0.01 0.00 0.00 175.02 174.96 2bag s VAL 113 N 0.95 2.96 -0.06 -6.03 1.01 0.88 0.26 120.40 120.37 2bag s VAL 113 Ca -0.09 -0.77 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 2bag s VAL 113 Cb -0.15 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2bag s VAL 113 CO 0.00 0.36 0.58 0.86 0.00 0.00 0.00 175.10 176.90 2bag s TRP 114 N 1.39 3.59 -0.28 5.22 -0.11 0.23 -1.00 118.94 127.98 2bag s TRP 114 Ca 0.04 1.11 -0.00 0.00 1.22 0.00 0.00 56.10 58.46 2bag s TRP 114 Cb -0.15 -2.64 0.05 0.00 -1.50 0.00 0.00 33.47 29.23 2bag s TRP 114 CO -0.05 0.22 -0.04 0.42 -4.62 0.00 0.00 176.95 172.87 2bag s ILE 115 N 0.37 2.70 0.69 5.86 1.01 0.47 -2.47 121.20 129.83 2bag s ILE 115 Ca 0.31 -1.45 -0.15 0.00 0.00 0.00 0.00 60.65 59.36 2bag s ILE 115 Cb -0.17 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.77 2bag s ILE 115 CO 0.15 -0.06 1.16 -0.72 0.00 0.00 0.00 174.94 175.47 2bag s TYR 116 N 1.20 2.34 0.06 3.97 -0.85 -1.26 -3.41 117.35 119.40 2bag s TYR 116 Ca -0.06 1.58 0.01 0.00 -0.52 0.00 0.00 57.07 58.07 2bag s TYR 116 Cb -0.20 -3.33 0.01 0.00 0.38 0.00 0.00 41.96 38.83 2bag s TYR 116 CO -0.03 -2.14 0.09 0.41 -1.52 0.00 0.00 175.55 172.36 2bag n GLY 117 N -0.03 1.77 0.00 5.49 0.00 -1.20 -3.47 105.19 107.75 2bag n GLY 117 Ca 0.12 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2bag n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bag n GLY 118 N 4.25 0.19 2.30 -0.02 0.00 -1.26 -4.20 105.19 106.46 2bag n GLY 118 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 2bag n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bag n GLY 119 N 0.00 1.07 3.55 -0.02 0.00 -1.26 -1.63 105.19 106.91 2bag n GLY 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bag n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bag n PHE 120 N -2.47 0.00 0.30 1.61 3.72 -1.26 -4.74 117.46 114.61 2bag n PHE 120 Ca -0.17 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.26 2bag n PHE 120 Cb 0.57 -0.93 -0.00 0.00 -0.94 0.00 0.00 39.48 38.18 2bag n PHE 120 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2bag n TYR 121 N -2.02 0.00 -3.86 1.38 0.18 -0.81 -0.17 117.16 111.86 2bag n TYR 121 Ca 0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 2bag n TYR 121 Cb 0.02 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 38.99 2bag n TYR 121 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2bag s SER 122 N -1.07 0.25 0.00 9.48 1.04 -0.64 -3.88 113.70 118.88 2bag s SER 122 Ca 0.05 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.20 2bag s SER 122 Cb 0.05 0.83 0.00 0.00 0.10 0.00 0.00 66.02 67.01 2bag s SER 122 CO 0.17 -1.66 0.00 0.61 0.98 0.00 0.00 173.24 173.34 2bag n GLY 123 N -0.55 3.73 3.12 7.32 0.00 -1.26 -4.06 105.19 113.49 2bag n GLY 123 Ca -0.07 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 2bag n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bag s SER 124 N 0.00 -0.10 0.04 1.61 0.01 -1.26 -4.66 113.70 109.33 2bag s SER 124 Ca 0.00 0.09 0.27 0.00 1.31 0.00 0.00 55.95 57.61 2bag s SER 124 Cb 0.00 0.31 0.83 0.00 0.21 0.00 0.00 66.02 67.37 2bag s SER 124 CO 0.00 -0.27 1.66 -1.54 0.41 0.00 0.00 173.24 173.51 2bag n SER 125 N 2.02 0.35 -0.88 2.44 3.41 -1.26 -3.96 113.62 115.74 2bag n SER 125 Ca -0.19 0.21 0.11 0.00 -0.26 0.00 0.00 58.87 58.75 2bag n SER 125 Cb 0.57 -0.20 0.28 0.00 -0.26 0.00 0.00 64.21 64.59 2bag n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2bag n THR 126 N -1.67 0.35 -1.27 6.66 -2.24 -1.26 -4.83 114.28 110.02 2bag n THR 126 Ca 0.06 -0.56 -0.34 0.00 -2.27 0.00 0.00 64.05 60.94 2bag n THR 126 Cb 0.36 0.73 0.11 0.00 -2.10 0.00 0.00 70.33 69.43 2bag n THR 126 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2bag s LEU 127 N -1.54 3.22 0.28 3.22 1.43 -1.25 -4.91 118.68 119.13 2bag s LEU 127 Ca 0.35 2.32 -0.02 0.00 -1.03 0.00 0.00 54.13 55.76 2bag s LEU 127 Cb 0.20 -4.58 0.41 0.00 0.03 0.00 0.00 46.19 42.24 2bag s LEU 127 CO 0.29 -2.44 1.88 0.44 0.23 0.00 0.00 176.35 176.75 2bag h ASP 128 N -0.63 0.86 0.43 2.29 3.32 -1.94 -2.07 116.42 118.67 2bag h ASP 128 Ca -0.47 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.48 2bag h ASP 128 Cb 1.29 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2bag h ASP 128 CO 0.48 0.74 0.00 1.33 -1.72 0.00 0.00 179.24 180.07 2bag n VAL 129 N -4.33 1.06 -0.04 -1.35 0.24 -1.26 -2.16 118.33 110.49 2bag n VAL 129 Ca 0.06 0.26 0.09 0.00 -2.04 0.00 0.00 64.34 62.71 2bag n VAL 129 Cb 0.15 -1.04 0.20 0.00 -1.47 0.00 0.00 33.84 31.68 2bag n VAL 129 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2bag n TYR 130 N -1.48 0.56 -1.61 6.34 4.01 -0.78 -4.66 117.16 119.55 2bag n TYR 130 Ca 0.03 -0.38 -0.43 0.00 -0.16 0.00 0.00 57.90 56.96 2bag n TYR 130 Cb 0.15 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.14 2bag n TYR 130 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2bag n ASN 131 N 1.09 3.41 0.00 7.72 2.85 -0.92 -4.84 115.26 124.57 2bag n ASN 131 Ca 0.17 0.35 0.14 0.00 -0.11 0.00 0.00 54.58 55.13 2bag n ASN 131 Cb 0.51 -1.54 0.76 0.00 1.24 0.00 0.00 39.78 40.75 2bag n ASN 131 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2bag n GLY 132 N 5.54 -1.21 0.34 8.20 0.00 -1.26 -4.14 105.19 112.66 2bag n GLY 132 Ca 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 2bag n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2bag h LYS 133 N 0.00 0.99 -0.41 1.61 2.10 -1.92 -0.19 116.57 118.76 2bag h LYS 133 Ca 0.00 -0.10 -0.11 0.00 -2.00 0.00 0.00 60.65 58.44 2bag h LYS 133 Cb 0.23 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 2bag h LYS 133 CO 0.00 0.71 -0.20 1.88 -2.00 0.00 0.00 179.45 179.84 2bag h TYR 134 N 1.00 0.90 0.04 0.07 -1.99 -1.80 -0.02 116.97 115.18 2bag h TYR 134 Ca 0.26 -0.20 -0.25 0.00 2.00 0.00 0.00 58.73 60.54 2bag h TYR 134 Cb -0.00 -0.22 0.02 0.00 2.00 0.00 0.00 36.73 38.53 2bag h TYR 134 CO 0.01 0.93 -1.00 1.25 -0.00 0.00 0.00 178.16 179.35 2bag h LEU 135 N 0.70 0.81 0.03 3.88 5.85 -1.66 0.89 115.31 125.81 2bag h LEU 135 Ca 0.10 -0.78 -0.00 0.00 0.84 0.00 0.00 57.88 58.04 2bag h LEU 135 Cb 0.72 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2bag h LEU 135 CO 0.06 1.49 -0.02 0.00 -0.34 0.00 0.00 178.44 179.63 2bag h ALA 136 N 0.33 -0.04 0.21 1.25 0.00 -0.98 -1.10 119.26 118.93 2bag h ALA 136 Ca -0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2bag h ALA 136 Cb 1.68 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2bag h ALA 136 CO 0.19 -0.49 -0.10 -0.92 0.00 0.00 0.00 179.25 177.94 2bag h TYR 137 N -0.12 -0.26 -0.58 0.00 5.03 -1.04 0.20 116.97 120.20 2bag h TYR 137 Ca -0.00 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.23 2bag h TYR 137 Cb 0.10 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.44 2bag h TYR 137 CO -0.05 -0.01 0.08 1.15 -1.32 0.00 0.00 178.16 178.01 2bag h THR 138 N -0.47 1.25 -0.14 1.81 2.02 -0.80 -3.20 112.91 113.37 2bag h THR 138 Ca -0.03 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.17 2bag h THR 138 Cb 0.36 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2bag h THR 138 CO 0.05 0.36 0.00 -0.62 0.37 0.00 0.00 175.52 175.68 2bag n GLU 139 N -4.23 1.55 -3.71 6.66 -0.58 -0.42 -5.00 120.64 114.91 2bag n GLU 139 Ca 0.04 -1.62 -0.26 0.00 -0.42 0.00 0.00 57.16 54.90 2bag n GLU 139 Cb 0.28 -1.30 0.03 0.00 -0.57 0.00 0.00 31.44 29.88 2bag n GLU 139 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2bag n GLU 140 N 0.83 -2.76 -4.42 3.49 1.02 0.68 -5.00 120.64 114.47 2bag n GLU 140 Ca 0.11 0.52 -0.23 0.00 -0.02 0.00 0.00 57.16 57.54 2bag n GLU 140 Cb 0.40 -4.64 -0.10 0.00 -0.02 0.00 0.00 31.44 27.08 2bag n GLU 140 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2bag s VAL 141 N -3.62 2.24 -0.36 2.62 -7.23 -1.08 -4.68 120.40 108.30 2bag s VAL 141 Ca 0.24 -2.26 -0.21 0.00 -1.81 0.00 0.00 61.98 57.94 2bag s VAL 141 Cb -0.08 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.69 2bag s VAL 141 CO 0.84 -0.39 0.67 -0.69 -0.31 0.00 0.00 175.10 175.22 2bag s VAL 142 N -2.43 4.86 -0.26 1.32 1.01 -0.05 -4.46 120.40 120.39 2bag s VAL 142 Ca 0.26 0.65 -0.10 0.00 0.00 0.00 0.00 61.98 62.78 2bag s VAL 142 Cb -0.05 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 2bag s VAL 142 CO 0.12 -0.34 0.17 -0.22 0.00 0.00 0.00 175.10 174.82 2bag s LEU 143 N 2.79 4.02 -0.04 3.92 2.96 -0.83 -1.42 118.68 130.09 2bag s LEU 143 Ca 0.26 0.04 0.05 0.00 -0.22 0.00 0.00 54.13 54.25 2bag s LEU 143 Cb -0.14 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 2bag s LEU 143 CO 0.15 0.01 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.33 2bag s VAL 144 N 1.39 2.83 -0.10 1.68 1.01 0.14 -1.06 120.40 126.28 2bag s VAL 144 Ca 0.07 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2bag s VAL 144 Cb -0.15 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.16 2bag s VAL 144 CO 0.07 0.59 -0.15 -0.94 0.00 0.00 0.00 175.10 174.67 2bag s SER 145 N -0.68 2.37 0.56 3.32 1.04 -0.11 0.78 113.70 120.99 2bag s SER 145 Ca 0.11 -0.41 0.09 0.00 0.48 0.00 0.00 55.95 56.21 2bag s SER 145 Cb -0.11 -1.06 0.09 0.00 0.10 0.00 0.00 66.02 65.04 2bag s SER 145 CO 0.00 0.02 0.72 0.00 0.98 0.00 0.00 173.24 174.97 2bag n LEU 146 N 4.15 0.00 -4.18 2.42 -0.00 -1.03 -0.67 117.00 117.69 2bag n LEU 146 Ca -0.19 -2.49 -0.11 0.00 -0.00 0.00 0.00 56.01 53.21 2bag n LEU 146 Cb 0.51 -0.36 -0.10 0.00 -0.00 0.00 0.00 43.42 43.48 2bag n LEU 146 CO 0.24 -0.69 -0.29 -0.94 -0.00 0.00 0.00 177.39 175.71 2bag s SER 147 N -4.45 0.47 -0.06 1.45 1.04 -1.15 -4.58 113.70 106.43 2bag s SER 147 Ca 0.55 -1.25 -0.30 0.00 0.48 0.00 0.00 55.95 55.44 2bag s SER 147 Cb -0.04 0.28 0.09 0.00 0.10 0.00 0.00 66.02 66.44 2bag s SER 147 CO 0.35 -0.72 0.78 -0.72 0.98 0.00 0.00 173.24 173.91 2bag s TYR 148 N -3.99 -0.54 0.37 5.02 1.13 -1.26 -4.48 117.35 113.61 2bag s TYR 148 Ca 0.28 0.83 -0.28 0.00 -1.41 0.00 0.00 57.07 56.49 2bag s TYR 148 Cb 0.07 0.45 -0.10 0.00 -1.10 0.00 0.00 41.96 41.27 2bag s TYR 148 CO 0.05 -0.55 1.41 1.03 -2.51 0.00 0.00 175.55 174.98 2bag s ARG 149 N -1.55 4.14 0.46 -3.49 0.52 -1.26 -4.88 118.95 112.88 2bag s ARG 149 Ca -0.06 2.41 0.02 0.00 -0.52 0.00 0.00 55.73 57.59 2bag s ARG 149 Cb -0.00 -2.96 -0.02 0.00 0.52 0.00 0.00 34.95 32.49 2bag s ARG 149 CO 0.04 -0.45 0.06 0.14 0.02 0.00 0.00 175.30 175.12 2bag s VAL 150 N -1.15 0.90 0.00 3.52 -7.23 -1.26 -4.21 120.40 110.97 2bag s VAL 150 Ca 0.53 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 2bag s VAL 150 Cb -0.43 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.25 2bag s VAL 150 CO 0.58 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.98 2bag n GLY 151 N -1.10 0.69 0.32 2.32 0.00 0.76 -2.33 105.19 105.85 2bag n GLY 151 Ca -0.13 -0.82 0.02 0.00 0.00 0.00 0.00 46.02 45.09 2bag n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bag h ALA 152 N -0.86 1.59 -0.52 4.61 0.00 -1.89 -0.35 119.26 121.83 2bag h ALA 152 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2bag h ALA 152 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2bag h ALA 152 CO 0.00 0.36 0.35 0.74 0.00 0.00 0.00 179.25 180.70 2bag h PHE 153 N 0.68 0.39 0.00 0.00 0.04 -1.91 -0.60 116.94 115.55 2bag h PHE 153 Ca 0.18 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.96 2bag h PHE 153 Cb -0.03 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 37.99 2bag h PHE 153 CO 0.00 0.20 -1.33 0.41 -0.60 0.00 0.00 178.31 176.99 2bag n GLY 154 N -1.52 -0.68 0.00 -1.45 0.00 -0.74 -4.09 105.19 96.72 2bag n GLY 154 Ca 0.08 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2bag n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bag n PHE 155 N -1.78 0.00 -1.71 1.61 3.72 -0.22 -0.67 117.46 118.41 2bag n PHE 155 Ca -0.00 -0.05 -0.43 0.00 -0.05 0.00 0.00 57.45 56.92 2bag n PHE 155 Cb 0.36 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.86 2bag n PHE 155 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2bag n LEU 156 N -0.05 3.83 -3.86 4.37 7.94 -0.26 -4.47 117.00 124.51 2bag n LEU 156 Ca 0.00 1.09 -0.28 0.00 -1.11 0.00 0.00 56.01 55.71 2bag n LEU 156 Cb 0.47 -1.54 -0.16 0.00 0.53 0.00 0.00 43.42 42.71 2bag n LEU 156 CO 0.00 0.04 -0.41 0.00 -1.11 0.00 0.00 177.39 175.91 2bag s ALA 157 N 0.80 1.36 -0.62 1.96 0.00 -1.26 -3.16 121.76 120.83 2bag s ALA 157 Ca 0.73 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.96 2bag s ALA 157 Cb -0.55 -1.12 0.16 0.00 0.00 0.00 0.00 23.12 21.62 2bag s ALA 157 CO 0.38 -0.84 0.43 -0.51 0.00 0.00 0.00 175.76 175.21 2bag s LEU 158 N 1.69 4.08 0.19 0.00 1.43 -0.09 -2.61 118.68 123.37 2bag s LEU 158 Ca 0.00 -3.56 -0.33 0.00 -1.03 0.00 0.00 54.13 49.21 2bag s LEU 158 Cb -0.15 -1.40 -0.14 0.00 0.03 0.00 0.00 46.19 44.52 2bag s LEU 158 CO -0.07 -0.12 1.41 1.57 0.23 0.00 0.00 176.35 179.36 2bag n HIS 159 N 2.33 1.99 0.00 0.29 -0.00 -1.26 -1.38 115.22 117.19 2bag n HIS 159 Ca 0.19 0.45 0.00 0.00 -0.00 0.00 0.00 57.72 58.36 2bag n HIS 159 Cb 0.37 -2.44 0.00 0.00 -0.00 0.00 0.00 29.99 27.91 2bag n HIS 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2bag n GLY 160 N 2.54 2.80 3.81 1.57 0.00 -1.26 -5.05 105.19 109.59 2bag n GLY 160 Ca 0.14 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 2bag n GLY 160 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bag s SER 161 N 0.00 7.09 0.00 1.61 0.15 -0.48 -4.95 113.70 117.13 2bag s SER 161 Ca 0.00 1.70 0.20 0.00 0.70 0.00 0.00 55.95 58.55 2bag s SER 161 Cb 0.00 -2.54 -0.15 0.00 -1.71 0.00 0.00 66.02 61.62 2bag s SER 161 CO 0.00 -0.21 0.90 0.00 1.20 0.00 0.00 173.24 175.13 2bag n GLN 162 N -0.08 0.71 0.07 5.44 1.13 -1.26 -3.64 117.38 119.75 2bag n GLN 162 Ca 0.04 -0.30 -0.10 0.00 -1.94 0.00 0.00 57.00 54.71 2bag n GLN 162 Cb 0.52 -1.44 -0.13 0.00 0.11 0.00 0.00 30.24 29.31 2bag n GLN 162 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2bag h GLU 163 N 0.71 0.08 -1.24 -1.09 4.39 -1.92 -3.40 114.58 112.12 2bag h GLU 163 Ca 0.00 -0.13 -0.43 0.00 0.34 0.00 0.00 59.36 59.14 2bag h GLU 163 Cb 0.55 0.05 -0.29 0.00 -0.10 0.00 0.00 28.75 28.95 2bag h GLU 163 CO 0.00 1.06 -0.87 0.00 -1.16 0.00 0.00 179.01 178.04 2bag n ALA 164 N -2.40 0.94 0.29 3.43 0.00 -1.26 -3.21 120.51 118.30 2bag n ALA 164 Ca -0.03 -2.62 0.18 0.00 0.00 0.00 0.00 53.44 50.97 2bag n ALA 164 Cb 0.96 -1.02 0.77 0.00 0.00 0.00 0.00 19.45 20.17 2bag n ALA 164 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2bag h PRO 165 N 4.02 0.00 0.00 0.00 0.13 -1.72 -0.20 132.00 134.23 2bag h PRO 165 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2bag h PRO 165 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2bag h PRO 165 CO 0.41 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.60 2bag n GLY 166 N -0.15 0.80 2.98 1.56 0.00 -1.19 -4.44 105.19 104.75 2bag n GLY 166 Ca -0.00 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.13 2bag n GLY 166 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bag n ASN 167 N -0.46 -5.62 0.27 1.61 3.02 -1.26 -4.83 115.26 108.00 2bag n ASN 167 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 2bag n ASN 167 Cb 0.00 -3.35 0.77 0.00 -0.61 0.00 0.00 39.78 36.58 2bag n ASN 167 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2bag h VAL 168 N 0.00 0.66 -0.17 2.41 -1.51 -1.80 0.48 116.25 116.32 2bag h VAL 168 Ca 0.00 -0.30 -0.08 0.00 -1.23 0.00 0.00 66.70 65.09 2bag h VAL 168 Cb 0.94 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 2bag h VAL 168 CO 0.00 0.07 -0.25 1.23 -1.23 0.00 0.00 177.57 177.39 2bag h GLY 169 N 0.41 0.33 1.49 5.19 0.00 -1.12 0.94 103.07 110.33 2bag h GLY 169 Ca -0.00 -0.26 -0.20 0.00 0.00 0.00 0.00 47.33 46.87 2bag h GLY 169 CO 0.01 0.24 -0.78 1.41 0.00 0.00 0.00 176.54 177.42 2bag h LEU 170 N 0.28 0.59 -1.02 3.11 3.38 -1.19 -2.45 115.31 118.01 2bag h LEU 170 Ca 0.04 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.52 2bag h LEU 170 Cb 0.59 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2bag h LEU 170 CO 0.04 1.16 -0.33 -0.07 0.09 0.00 0.00 178.44 179.33 2bag h LEU 171 N 0.32 0.29 -0.12 1.67 3.38 -0.84 -0.09 115.31 119.92 2bag h LEU 171 Ca -0.04 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2bag h LEU 171 Cb 1.37 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2bag h LEU 171 CO 0.14 0.61 0.06 0.44 0.09 0.00 0.00 178.44 179.78 2bag h ASP 172 N 0.25 0.09 -0.65 -0.43 3.32 -0.57 0.63 116.42 119.05 2bag h ASP 172 Ca 0.03 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.10 2bag h ASP 172 Cb 0.71 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.22 2bag h ASP 172 CO 0.05 0.07 0.42 1.56 -1.72 0.00 0.00 179.24 179.63 2bag h GLN 173 N 0.13 0.83 -0.81 3.56 4.20 -0.94 -1.78 115.11 120.31 2bag h GLN 173 Ca 0.05 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2bag h GLN 173 Cb 0.01 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.56 2bag h GLN 173 CO -0.03 0.55 0.45 -0.09 -0.67 0.00 0.00 178.83 179.04 2bag h ARG 174 N 0.85 1.12 -0.60 1.46 2.43 -0.41 -0.60 114.38 118.63 2bag h ARG 174 Ca 0.25 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 2bag h ARG 174 Cb -0.06 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.24 2bag h ARG 174 CO -0.07 0.81 0.02 1.98 -1.51 0.00 0.00 179.97 181.20 2bag h MET 175 N 1.13 1.03 -0.56 0.20 4.05 -0.34 0.15 114.93 120.58 2bag h MET 175 Ca 0.29 -0.31 -0.08 0.00 -0.28 0.00 0.00 59.70 59.32 2bag h MET 175 Cb 0.01 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.68 2bag h MET 175 CO -0.05 1.00 0.03 0.00 0.23 0.00 0.00 176.91 178.11 2bag h ALA 176 N 1.06 0.99 0.00 0.39 0.00 -0.78 0.11 119.26 121.03 2bag h ALA 176 Ca 0.18 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2bag h ALA 176 Cb 0.52 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2bag h ALA 176 CO 0.03 0.62 -0.35 -0.07 0.00 0.00 0.00 179.25 179.48 2bag h LEU 177 N 0.88 0.00 -0.19 0.00 3.38 -0.47 -0.80 115.31 118.10 2bag h LEU 177 Ca 0.17 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 2bag h LEU 177 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2bag h LEU 177 CO 0.02 0.35 -0.46 -0.61 0.09 0.00 0.00 178.44 177.83 2bag h GLN 178 N 0.00 0.64 -0.71 1.13 5.75 0.30 -0.82 115.11 121.41 2bag h GLN 178 Ca -0.00 -0.44 -0.04 0.00 -0.15 0.00 0.00 58.65 58.02 2bag h GLN 178 Cb 0.68 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.26 2bag h GLN 178 CO 0.05 1.06 0.30 2.35 -2.65 0.00 0.00 178.83 179.93 2bag h TRP 179 N 0.33 1.06 -0.22 3.99 7.01 -0.37 0.21 115.95 127.95 2bag h TRP 179 Ca -0.00 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 60.91 2bag h TRP 179 Cb 1.07 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.80 2bag h TRP 179 CO 0.09 0.81 0.10 0.28 -2.79 0.00 0.00 178.44 176.93 2bag h VAL 180 N 1.00 1.16 -0.85 2.65 2.07 -1.14 0.68 116.25 121.83 2bag h VAL 180 Ca 0.24 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.33 2bag h VAL 180 Cb 0.19 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2bag h VAL 180 CO -0.02 0.15 0.54 -0.74 0.02 0.00 0.00 177.57 177.52 2bag h HIS 181 N 0.22 1.02 0.05 1.57 -0.00 -0.56 0.21 115.15 117.65 2bag h HIS 181 Ca 0.08 0.03 -0.23 0.00 -0.00 0.00 0.00 60.37 60.24 2bag h HIS 181 Cb 0.16 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 2bag h HIS 181 CO -0.01 0.58 -1.05 -0.44 -0.00 0.00 0.00 177.93 177.00 2bag h ASP 182 N 1.05 0.27 0.00 3.26 3.32 -0.22 -3.41 116.42 120.68 2bag h ASP 182 Ca 0.34 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2bag h ASP 182 Cb 0.02 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2bag h ASP 182 CO -0.12 1.15 -0.44 0.59 -1.72 0.00 0.00 179.24 178.70 2bag n ASN 183 N -3.54 1.46 0.25 6.45 3.02 0.23 -4.73 115.26 118.41 2bag n ASN 183 Ca -0.05 -0.39 0.17 0.00 -0.03 0.00 0.00 54.58 54.29 2bag n ASN 183 Cb 0.93 1.04 0.91 0.00 -0.61 0.00 0.00 39.78 42.04 2bag n ASN 183 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2bag h ILE 184 N 0.00 0.00 -0.42 2.41 6.09 -1.09 -1.45 117.51 123.05 2bag h ILE 184 Ca 0.00 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.45 2bag h ILE 184 Cb 0.08 0.74 -0.02 0.00 0.47 0.00 0.00 36.82 38.09 2bag h ILE 184 CO 0.00 0.00 0.09 0.06 -3.07 0.00 0.00 178.15 175.23 2bag h GLN 185 N 0.00 0.63 0.00 2.19 3.07 -1.79 0.45 115.11 119.66 2bag h GLN 185 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 58.65 58.62 2bag h GLN 185 Cb 0.01 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.47 2bag h GLN 185 CO 0.00 0.59 0.00 1.19 0.09 0.00 0.00 178.83 180.70 2bag n PHE 186 N -4.31 0.38 -0.14 0.06 3.72 -0.55 -1.42 117.46 115.21 2bag n PHE 186 Ca 0.03 0.15 0.09 0.00 -0.05 0.00 0.00 57.45 57.66 2bag n PHE 186 Cb 0.21 -0.74 0.22 0.00 -0.94 0.00 0.00 39.48 38.23 2bag n PHE 186 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2bag n PHE 187 N -1.84 0.63 -0.45 1.38 3.01 -0.70 -4.82 117.46 114.67 2bag n PHE 187 Ca 0.03 -0.43 0.00 0.00 1.01 0.00 0.00 57.45 58.06 2bag n PHE 187 Cb 0.20 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 2bag n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2bag n GLY 188 N 1.09 0.76 3.89 1.37 0.00 -0.51 -4.57 105.19 107.21 2bag n GLY 188 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2bag n GLY 188 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bag s GLY 189 N -1.81 2.24 -0.53 -0.02 0.00 0.07 -0.98 107.32 106.29 2bag s GLY 189 Ca 0.00 -0.43 -0.21 0.00 0.00 0.00 0.00 44.72 44.09 2bag s GLY 189 CO 0.00 -0.32 0.74 -0.35 0.00 0.00 0.00 173.10 173.17 2bag s ASP 190 N -2.43 6.25 0.23 1.64 2.15 -0.09 -3.16 116.67 121.26 2bag s ASP 190 Ca 0.44 -0.80 0.16 0.00 0.43 0.00 0.00 52.55 52.78 2bag s ASP 190 Cb -0.12 -2.34 0.85 0.00 -0.30 0.00 0.00 42.92 41.01 2bag s ASP 190 CO 0.23 -1.03 1.48 -0.81 -0.17 0.00 0.00 175.17 174.87 2bag n PRO 191 N 6.62 0.10 0.00 4.34 -0.04 -1.26 -0.46 135.00 144.30 2bag n PRO 191 Ca -0.04 0.59 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 2bag n PRO 191 Cb 0.46 -1.83 0.43 0.00 -0.04 0.00 0.00 33.50 32.52 2bag n PRO 191 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2bag n LYS 192 N -2.05 1.24 -2.78 0.54 4.76 -1.26 -4.23 118.16 114.39 2bag n LYS 192 Ca -0.01 -0.74 -0.17 0.00 -2.87 0.00 0.00 58.31 54.52 2bag n LYS 192 Cb 0.03 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 2bag n LYS 192 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2bag n THR 193 N -0.23 1.22 -3.99 -0.18 -1.04 0.39 -4.74 114.28 105.71 2bag n THR 193 Ca 0.15 -4.08 -0.36 0.00 -2.04 0.00 0.00 64.05 57.72 2bag n THR 193 Cb 0.36 -0.18 -0.08 0.00 -1.82 0.00 0.00 70.33 68.62 2bag n THR 193 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2bag s VAL 194 N -3.60 5.12 -0.15 12.58 -7.23 -1.25 -2.12 120.40 123.75 2bag s VAL 194 Ca 0.37 0.07 -0.02 0.00 -1.81 0.00 0.00 61.98 60.59 2bag s VAL 194 Cb 0.40 -3.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 2bag s VAL 194 CO -0.06 0.57 -0.09 -0.89 -0.31 0.00 0.00 175.10 174.33 2bag s THR 195 N -0.61 3.32 -0.04 5.32 2.01 0.29 -0.63 115.64 125.29 2bag s THR 195 Ca 0.12 -0.55 -0.13 0.00 0.31 0.00 0.00 61.69 61.44 2bag s THR 195 Cb -0.12 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.90 2bag s THR 195 CO 0.02 0.50 0.34 0.27 -0.69 0.00 0.00 174.62 175.06 2bag s ILE 196 N 0.58 5.16 0.00 1.82 -4.36 -0.80 -0.08 121.20 123.52 2bag s ILE 196 Ca -0.06 0.67 -0.06 0.00 -0.26 0.00 0.00 60.65 60.94 2bag s ILE 196 Cb -0.15 -3.63 -0.00 0.00 1.25 0.00 0.00 42.46 39.93 2bag s ILE 196 CO 0.03 0.58 0.12 0.72 0.24 0.00 0.00 174.94 176.63 2bag s PHE 197 N -0.98 0.06 0.17 1.37 -0.71 -0.17 -1.03 117.98 116.68 2bag s PHE 197 Ca 0.21 -0.16 -0.24 0.00 -1.04 0.00 0.00 56.93 55.71 2bag s PHE 197 Cb -0.15 -0.06 0.06 0.00 -1.21 0.00 0.00 43.02 41.65 2bag s PHE 197 CO 0.11 -0.27 0.81 0.20 -1.34 0.00 0.00 175.22 174.73 2bag s GLY 198 N -1.34 -0.28 -0.03 1.99 0.00 -1.07 -0.39 107.32 106.20 2bag s GLY 198 Ca -0.14 0.18 0.08 0.00 0.00 0.00 0.00 44.72 44.83 2bag s GLY 198 CO 0.01 0.05 -0.26 1.85 0.00 0.00 0.00 173.10 174.76 2bag s GLU 199 N -3.54 2.19 7.98 2.90 -6.30 -1.22 -1.15 118.70 119.56 2bag s GLU 199 Ca 0.09 -0.92 0.00 0.00 -2.50 0.00 0.00 54.97 51.64 2bag s GLU 199 Cb -0.03 -2.05 0.00 0.00 0.00 0.00 0.00 34.13 32.05 2bag s GLU 199 CO -0.00 0.52 0.00 0.45 0.02 0.00 0.00 175.26 176.24 2bag n SER 200 N 2.55 0.00 -0.06 -1.70 2.88 0.13 -0.46 113.62 116.97 2bag n SER 200 Ca -0.16 0.00 0.23 0.00 -1.33 0.00 0.00 58.87 57.61 2bag n SER 200 Cb 0.51 0.00 0.70 0.00 -0.75 0.00 0.00 64.21 64.68 2bag n SER 200 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bag h ALA 201 N -0.97 2.61 -0.37 -1.46 0.00 -1.87 0.63 119.26 117.83 2bag h ALA 201 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2bag h ALA 201 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2bag h ALA 201 CO 0.00 -0.81 -0.37 0.78 0.00 0.00 0.00 179.25 178.85 2bag h GLY 202 N 0.00 0.99 1.13 0.00 0.00 -0.80 0.15 103.07 104.54 2bag h GLY 202 Ca 0.31 -1.01 -0.12 0.00 0.00 0.00 0.00 47.33 46.51 2bag h GLY 202 CO -0.00 0.92 -0.13 -1.33 0.00 0.00 0.00 176.54 175.99 2bag h GLY 203 N 0.72 1.09 1.09 4.60 0.00 0.07 -1.04 103.07 109.60 2bag h GLY 203 Ca 0.06 -0.89 -0.11 0.00 0.00 0.00 0.00 47.33 46.38 2bag h GLY 203 CO 0.09 0.82 -0.09 0.00 0.00 0.00 0.00 176.54 177.36 2bag h ALA 204 N 0.95 0.76 -0.27 3.60 0.00 -0.02 -2.24 119.26 122.05 2bag h ALA 204 Ca 0.13 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2bag h ALA 204 Cb 0.69 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2bag h ALA 204 CO 0.05 0.67 0.13 0.77 0.00 0.00 0.00 179.25 180.87 2bag h SER 205 N 0.93 0.20 -0.53 0.00 0.02 -0.52 0.20 113.55 113.85 2bag h SER 205 Ca 0.15 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.21 2bag h SER 205 Cb 0.66 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.09 2bag h SER 205 CO 0.05 0.15 0.02 0.58 -1.14 0.00 0.00 176.83 176.49 2bag h VAL 206 N 0.28 0.60 -0.16 2.27 2.07 -0.97 0.13 116.25 120.47 2bag h VAL 206 Ca 0.11 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 2bag h VAL 206 Cb 0.03 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2bag h VAL 206 CO -0.07 0.03 -0.16 1.23 0.02 0.00 0.00 177.57 178.61 2bag h GLY 207 N 0.14 0.29 1.73 2.17 0.00 -0.76 -1.92 103.07 104.72 2bag h GLY 207 Ca 0.27 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 2bag h GLY 207 CO -0.42 0.18 -0.40 -0.33 0.00 0.00 0.00 176.54 175.56 2bag h MET 208 N 0.25 0.30 0.00 4.80 2.86 0.16 -1.82 114.93 121.49 2bag h MET 208 Ca 0.05 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 2bag h MET 208 Cb 0.44 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 2bag h MET 208 CO 0.03 0.66 -0.19 0.45 1.06 0.00 0.00 176.91 178.92 2bag h HIS 209 N 0.25 0.00 -0.09 -0.22 3.86 -0.13 -0.51 115.15 118.31 2bag h HIS 209 Ca 0.02 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.04 2bag h HIS 209 Cb 0.83 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.29 2bag h HIS 209 CO 0.02 0.19 -0.75 0.82 0.86 0.00 0.00 177.93 179.07 2bag h ILE 210 N 0.00 1.35 0.01 2.45 2.04 -0.83 -3.17 117.51 119.36 2bag h ILE 210 Ca -0.00 -2.10 -0.00 0.00 1.00 0.00 0.00 64.86 63.75 2bag h ILE 210 Cb 0.90 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2bag h ILE 210 CO 0.02 0.64 -0.01 -0.07 0.00 0.00 0.00 178.15 178.74 2bag h LEU 211 N 0.34 -0.02 -9.19 1.44 3.38 -1.06 0.13 115.31 110.34 2bag h LEU 211 Ca -0.04 -0.77 -0.56 0.00 0.09 0.00 0.00 57.88 56.60 2bag h LEU 211 Cb 1.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.10 2bag h LEU 211 CO 0.13 0.82 1.34 -0.55 0.09 0.00 0.00 178.44 180.27 2bag s SER 212 N -6.01 6.03 0.40 -0.43 0.15 -0.23 -4.57 113.70 109.04 2bag s SER 212 Ca -0.16 2.31 0.16 0.00 0.70 0.00 0.00 55.95 58.96 2bag s SER 212 Cb -0.02 -2.52 1.05 0.00 -1.71 0.00 0.00 66.02 62.82 2bag s SER 212 CO 0.60 -1.44 1.81 -0.65 1.20 0.00 0.00 173.24 174.77 2bag h PRO 213 N 12.47 0.44 0.00 5.44 0.11 -1.88 -0.59 132.00 147.99 2bag h PRO 213 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bag h PRO 213 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2bag h PRO 213 CO 0.95 0.29 0.00 0.41 -0.21 0.00 0.00 178.00 179.44 2bag n GLY 214 N -1.48 -1.17 0.01 -0.55 0.00 -1.26 -3.54 105.19 97.20 2bag n GLY 214 Ca 0.22 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.18 2bag n GLY 214 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bag n SER 215 N -1.45 3.27 -0.29 1.61 7.64 -0.26 -4.76 113.62 119.37 2bag n SER 215 Ca 0.06 0.00 0.23 0.00 1.01 0.00 0.00 58.87 60.17 2bag n SER 215 Cb 0.23 1.21 0.53 0.00 -1.01 0.00 0.00 64.21 65.17 2bag n SER 215 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2bag h ARG 216 N 0.00 0.35 -0.00 1.43 3.08 -1.44 -1.75 114.38 116.05 2bag h ARG 216 Ca -0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2bag h ARG 216 Cb 0.57 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2bag h ARG 216 CO 0.00 0.23 -0.07 -0.25 -1.07 0.00 0.00 179.97 178.81 2bag n ASP 217 N -4.54 0.11 -0.28 7.04 8.00 -1.26 -3.90 116.55 121.71 2bag n ASP 217 Ca 0.23 0.16 0.08 0.00 0.71 0.00 0.00 54.79 55.98 2bag n ASP 217 Cb 0.85 -0.32 0.37 0.00 -0.02 0.00 0.00 41.12 42.00 2bag n ASP 217 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2bag n LEU 218 N -1.40 0.85 -3.66 0.64 4.77 -0.66 -4.91 117.00 112.64 2bag n LEU 218 Ca 0.09 -0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 55.60 2bag n LEU 218 Cb 0.31 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2bag n LEU 218 CO 0.27 0.19 0.38 0.72 -1.33 0.00 0.00 177.39 177.62 2bag s PHE 219 N -1.87 -0.30 -0.27 -1.77 -0.71 -1.25 -4.79 117.98 107.03 2bag s PHE 219 Ca 0.26 -0.03 -0.12 0.00 -1.04 0.00 0.00 56.93 55.99 2bag s PHE 219 Cb 0.13 0.56 -0.14 0.00 -1.21 0.00 0.00 43.02 42.36 2bag s PHE 219 CO 0.20 -0.99 -0.26 -2.13 -1.34 0.00 0.00 175.22 170.70 2bag n ARG 220 N -0.39 0.60 -4.25 1.99 3.00 0.19 -4.95 116.66 112.85 2bag n ARG 220 Ca -0.11 0.28 -0.14 0.00 -0.00 0.00 0.00 57.85 57.88 2bag n ARG 220 Cb 0.62 -1.53 -0.10 0.00 0.00 0.00 0.00 32.46 31.45 2bag n ARG 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2bag s ARG 221 N -2.50 1.19 0.02 -0.14 0.52 -1.10 -4.67 118.95 112.27 2bag s ARG 221 Ca -0.37 -1.60 0.01 0.00 -0.52 0.00 0.00 55.73 53.24 2bag s ARG 221 Cb 0.13 -0.15 -0.01 0.00 0.52 0.00 0.00 34.95 35.43 2bag s ARG 221 CO 0.52 -0.22 -0.03 0.00 0.02 0.00 0.00 175.30 175.59 2bag s ALA 222 N -3.78 0.19 -0.09 2.13 0.00 -1.19 -1.91 121.76 117.10 2bag s ALA 222 Ca 0.30 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.82 2bag s ALA 222 Cb 0.07 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.28 2bag s ALA 222 CO 0.07 -0.08 -0.11 0.42 0.00 0.00 0.00 175.76 176.06 2bag s ILE 223 N -0.99 1.17 -0.15 0.00 1.01 -0.20 -2.02 121.20 120.01 2bag s ILE 223 Ca -0.10 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.12 2bag s ILE 223 Cb -0.07 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.30 2bag s ILE 223 CO -0.00 0.38 -0.19 -0.76 0.00 0.00 0.00 174.94 174.36 2bag s LEU 224 N 1.07 2.24 -0.25 2.97 1.02 -0.30 -2.59 118.68 122.83 2bag s LEU 224 Ca -0.07 -0.57 -0.02 0.00 0.02 0.00 0.00 54.13 53.49 2bag s LEU 224 Cb -0.15 -1.49 0.02 0.00 0.02 0.00 0.00 46.19 44.60 2bag s LEU 224 CO -0.01 0.06 -0.04 -1.10 0.02 0.00 0.00 176.35 175.28 2bag s GLN 225 N 0.92 2.89 -1.45 1.70 -0.21 -0.30 -2.12 119.66 121.08 2bag s GLN 225 Ca -0.04 -0.95 -0.06 0.00 0.02 0.00 0.00 55.36 54.33 2bag s GLN 225 Cb -0.15 -3.05 0.05 0.00 1.00 0.00 0.00 33.01 30.86 2bag s GLN 225 CO -0.04 -0.40 0.70 0.43 -2.12 0.00 0.00 175.29 173.86 2bag n SER 226 N 4.70 -2.17 -3.62 5.90 7.64 0.26 0.21 113.62 126.55 2bag n SER 226 Ca -0.16 -0.89 -0.05 0.00 1.01 0.00 0.00 58.87 58.77 2bag n SER 226 Cb 0.47 -3.52 -0.05 0.00 -1.01 0.00 0.00 64.21 60.10 2bag n SER 226 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2bag s GLY 227 N -3.94 0.01 0.08 0.23 0.00 -1.26 -3.14 107.32 99.31 2bag s GLY 227 Ca 0.28 2.72 -0.10 0.00 0.00 0.00 0.00 44.72 47.62 2bag s GLY 227 CO 0.86 1.31 0.23 -1.35 0.00 0.00 0.00 173.10 174.14 2bag s SER 228 N -0.73 0.04 0.46 1.64 1.04 -1.26 -4.10 113.70 110.78 2bag s SER 228 Ca 0.05 -0.51 0.12 0.00 0.48 0.00 0.00 55.95 56.09 2bag s SER 228 Cb -0.02 0.35 1.06 0.00 0.10 0.00 0.00 66.02 67.50 2bag s SER 228 CO -0.06 -0.70 2.08 1.55 0.98 0.00 0.00 173.24 177.09 2bag h PRO 229 N 2.90 0.30 -0.52 4.02 0.13 -1.81 -2.60 132.00 134.42 2bag h PRO 229 Ca -0.33 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2bag h PRO 229 Cb 1.20 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2bag h PRO 229 CO 0.53 0.20 0.00 0.27 -0.23 0.00 0.00 178.00 178.76 2bag n ASN 230 N -4.49 1.60 -4.76 1.44 6.94 -1.26 -4.75 115.26 109.97 2bag n ASN 230 Ca 0.02 -2.11 -0.39 0.00 -0.02 0.00 0.00 54.58 52.08 2bag n ASN 230 Cb 0.14 -0.32 0.01 0.00 -2.36 0.00 0.00 39.78 37.25 2bag n ASN 230 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2bag h PRO 232 N 2.35 0.00 -0.00 0.00 0.13 -1.84 -2.12 132.00 130.52 2bag h PRO 232 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2bag h PRO 232 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2bag h PRO 232 CO 0.61 0.00 -0.92 -2.67 -0.23 0.00 0.00 178.00 174.79 2bag n TRP 233 N -3.61 0.00 0.91 1.56 4.27 -1.26 -4.54 117.44 114.77 2bag n TRP 233 Ca -0.00 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.75 2bag n TRP 233 Cb 0.25 -0.01 0.57 0.00 -1.36 0.00 0.00 31.31 30.76 2bag n TRP 233 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2bag n ALA 234 N -1.37 2.32 -3.39 -1.67 0.00 -0.80 -4.61 120.51 110.99 2bag n ALA 234 Ca 0.05 -0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 2bag n ALA 234 Cb 0.34 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 2bag n ALA 234 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2bag s SER 235 N -3.37 -0.54 0.09 0.00 1.04 -1.26 -3.58 113.70 106.07 2bag s SER 235 Ca 0.13 -0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.53 2bag s SER 235 Cb 0.17 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.84 2bag s SER 235 CO 0.55 -0.96 -0.01 0.68 0.98 0.00 0.00 173.24 174.47 2bag s VAL 236 N -3.76 0.35 0.88 5.02 -7.23 -0.40 -4.98 120.40 110.29 2bag s VAL 236 Ca 0.01 -1.88 -0.12 0.00 -1.81 0.00 0.00 61.98 58.18 2bag s VAL 236 Cb -0.01 -1.75 0.12 0.00 0.56 0.00 0.00 36.38 35.30 2bag s VAL 236 CO -0.13 -0.78 1.11 -0.94 -0.31 0.00 0.00 175.10 174.05 2bag s SER 237 N -3.01 3.72 0.35 4.85 1.04 -1.26 -1.77 113.70 117.61 2bag s SER 237 Ca 0.14 1.22 0.11 0.00 0.48 0.00 0.00 55.95 57.90 2bag s SER 237 Cb 0.07 -1.88 0.64 0.00 0.10 0.00 0.00 66.02 64.94 2bag s SER 237 CO -0.04 -2.45 1.79 -0.37 0.98 0.00 0.00 173.24 173.14 2bag h VAL 238 N -1.42 1.29 -0.07 5.02 -1.51 -1.94 -0.84 116.25 116.77 2bag h VAL 238 Ca -0.50 -1.37 -0.01 0.00 -1.23 0.00 0.00 66.70 63.60 2bag h VAL 238 Cb 1.30 1.69 -0.00 0.00 -2.13 0.00 0.00 31.29 32.15 2bag h VAL 238 CO 0.59 0.40 0.02 0.00 -1.23 0.00 0.00 177.57 177.35 2bag h ALA 239 N 1.55 0.09 -0.66 5.19 0.00 -1.94 0.37 119.26 123.86 2bag h ALA 239 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2bag h ALA 239 Cb 0.71 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2bag h ALA 239 CO 0.05 -0.31 0.14 1.49 0.00 0.00 0.00 179.25 180.63 2bag h GLU 240 N -0.08 1.05 -0.51 0.00 4.57 -1.86 0.24 114.58 117.99 2bag h GLU 240 Ca 0.02 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2bag h GLU 240 Cb 0.20 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2bag h GLU 240 CO -0.00 0.94 0.30 0.78 -1.18 0.00 0.00 179.01 179.85 2bag h GLY 241 N 1.06 0.75 0.88 1.92 0.00 -0.99 -1.06 103.07 105.61 2bag h GLY 241 Ca 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 2bag h GLY 241 CO 0.00 0.31 0.05 -0.09 0.00 0.00 0.00 176.54 176.81 2bag h ARG 242 N 0.69 0.17 -0.85 4.80 2.43 -0.56 -1.14 114.38 119.91 2bag h ARG 242 Ca 0.18 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.43 2bag h ARG 242 Cb 0.00 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.46 2bag h ARG 242 CO -0.03 0.26 0.55 -0.09 -1.51 0.00 0.00 179.97 179.15 2bag h ARG 243 N 0.03 0.77 0.01 0.20 2.43 -0.72 -0.49 114.38 116.61 2bag h ARG 243 Ca 0.04 -0.05 -0.21 0.00 -0.81 0.00 0.00 59.98 58.95 2bag h ARG 243 Cb 0.16 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2bag h ARG 243 CO -0.00 0.51 -0.92 0.00 -1.51 0.00 0.00 179.97 178.05 2bag h ARG 244 N 0.79 0.29 -0.32 0.20 3.08 -0.81 -1.55 114.38 116.07 2bag h ARG 244 Ca 0.40 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 2bag h ARG 244 Cb 0.48 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2bag h ARG 244 CO -0.17 1.03 -0.05 0.00 -1.07 0.00 0.00 179.97 179.71 2bag h ALA 245 N 0.86 0.43 -0.41 0.04 0.00 -0.44 0.12 119.26 119.85 2bag h ALA 245 Ca -0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2bag h ALA 245 Cb 1.56 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 2bag h ALA 245 CO 0.15 0.23 0.24 0.28 0.00 0.00 0.00 179.25 180.15 2bag h VAL 246 N 0.37 1.14 0.00 0.00 2.07 -1.13 -0.11 116.25 118.59 2bag h VAL 246 Ca 0.08 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2bag h VAL 246 Cb 0.52 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2bag h VAL 246 CO 0.03 0.14 -0.20 -0.08 0.02 0.00 0.00 177.57 177.48 2bag h GLU 247 N 0.54 0.00 -0.18 1.57 4.57 -1.09 0.86 114.58 120.85 2bag h GLU 247 Ca 0.15 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.28 2bag h GLU 247 Cb 0.02 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2bag h GLU 247 CO -0.03 0.20 -0.09 1.25 -1.18 0.00 0.00 179.01 179.16 2bag h LEU 248 N 0.00 0.39 -0.74 1.64 5.85 0.27 -2.32 115.31 120.40 2bag h LEU 248 Ca -0.00 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.37 2bag h LEU 248 Cb 0.41 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 2bag h LEU 248 CO 0.03 0.72 0.42 1.23 -0.34 0.00 0.00 178.44 180.49 2bag h GLY 249 N 0.06 1.10 1.57 3.75 0.00 0.05 -1.38 103.07 108.22 2bag h GLY 249 Ca 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2bag h GLY 249 CO 0.03 0.15 0.20 -0.09 0.00 0.00 0.00 176.54 176.84 2bag h ARG 250 N 0.74 0.57 0.00 4.80 2.43 -0.70 -0.57 114.38 121.65 2bag h ARG 250 Ca 0.34 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2bag h ARG 250 Cb 0.24 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2bag h ARG 250 CO -0.21 0.44 -0.02 -0.91 -1.51 0.00 0.00 179.97 177.76 2bag h ASN 251 N 0.57 0.00 -0.45 -3.80 2.35 -0.69 -2.83 115.58 110.73 2bag h ASN 251 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2bag h ASN 251 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2bag h ASN 251 CO -0.02 0.02 0.00 0.18 -1.65 0.00 0.00 177.43 175.96 2bag n LEU 252 N -3.13 3.77 -3.61 1.61 4.77 -0.55 -4.96 117.00 114.90 2bag n LEU 252 Ca 0.00 -2.37 -0.23 0.00 -0.03 0.00 0.00 56.01 53.39 2bag n LEU 252 Cb 0.30 -0.43 0.07 0.00 -2.33 0.00 0.00 43.42 41.03 2bag n LEU 252 CO 0.27 0.76 0.17 0.59 -1.33 0.00 0.00 177.39 177.86 2bag n ASN 253 N 0.54 -4.72 -4.90 -1.43 3.02 -0.99 -4.98 115.26 101.80 2bag n ASN 253 Ca 0.19 -0.61 -0.28 0.00 -0.03 0.00 0.00 54.58 53.85 2bag n ASN 253 Cb 0.69 -4.84 0.00 0.00 -0.61 0.00 0.00 39.78 35.02 2bag n ASN 253 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bag s ASN 255 N -4.12 7.17 -0.17 0.00 3.84 -1.26 -4.76 114.94 115.64 2bag s ASN 255 Ca 0.48 1.53 0.16 0.00 0.21 0.00 0.00 52.86 55.24 2bag s ASN 255 Cb -0.10 -2.55 0.66 0.00 -0.55 0.00 0.00 41.25 38.70 2bag s ASN 255 CO 0.46 -0.54 1.57 0.18 -2.79 0.00 0.00 177.10 175.98 2bag n LEU 256 N 5.46 4.67 0.20 3.21 4.77 -1.26 -3.18 117.00 130.87 2bag n LEU 256 Ca 0.10 -2.80 0.06 0.00 -0.03 0.00 0.00 56.01 53.34 2bag n LEU 256 Cb 0.48 -0.58 0.43 0.00 -2.33 0.00 0.00 43.42 41.41 2bag n LEU 256 CO 0.53 0.69 0.76 0.78 -1.33 0.00 0.00 177.39 178.81 2bag h ASN 257 N 3.07 0.00 -5.08 -1.43 2.35 -1.95 -3.46 115.58 109.07 2bag h ASN 257 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2bag h ASN 257 Cb 1.59 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.83 2bag h ASN 257 CO 0.31 0.33 -0.06 -0.94 -1.65 0.00 0.00 177.43 175.41 2bag s SER 258 N -6.60 -0.23 0.25 5.81 1.04 -1.26 -5.01 113.70 107.70 2bag s SER 258 Ca -0.02 -0.36 -0.04 0.00 0.48 0.00 0.00 55.95 56.02 2bag s SER 258 Cb 0.13 0.49 0.38 0.00 0.10 0.00 0.00 66.02 67.11 2bag s SER 258 CO 0.68 -0.88 1.86 0.44 0.98 0.00 0.00 173.24 176.32 2bag h ASP 259 N 2.35 0.92 -0.47 7.02 5.19 -1.95 0.69 116.42 130.17 2bag h ASP 259 Ca -0.33 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 2bag h ASP 259 Cb 1.26 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.56 2bag h ASP 259 CO 0.46 0.58 0.30 -0.33 -3.12 0.00 0.00 179.24 177.13 2bag h GLU 260 N 1.06 0.63 -0.44 3.56 3.07 -1.97 0.39 114.58 120.87 2bag h GLU 260 Ca 0.41 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.17 2bag h GLU 260 Cb 0.19 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2bag h GLU 260 CO -0.18 0.43 0.06 0.93 -1.40 0.00 0.00 179.01 178.85 2bag h GLU 261 N 0.63 0.74 0.21 2.33 4.39 -1.63 -1.06 114.58 120.19 2bag h GLU 261 Ca 0.17 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2bag h GLU 261 Cb -0.05 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2bag h GLU 261 CO -0.04 0.78 -0.10 1.25 -1.16 0.00 0.00 179.01 179.74 2bag h LEU 262 N 0.60 -0.24 -0.71 1.33 5.85 -0.51 -1.57 115.31 120.07 2bag h LEU 262 Ca 0.13 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2bag h LEU 262 Cb 0.40 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 2bag h LEU 262 CO 0.01 0.07 0.43 0.40 -0.34 0.00 0.00 178.44 179.01 2bag h ILE 263 N -0.57 1.04 -0.70 4.05 2.04 -0.24 0.09 117.51 123.22 2bag h ILE 263 Ca -0.03 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 2bag h ILE 263 Cb 0.42 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 2bag h ILE 263 CO 0.05 0.15 0.28 -0.74 0.00 0.00 0.00 178.15 177.88 2bag h HIS 264 N 0.81 1.08 -0.33 1.37 2.76 -1.15 -1.48 115.15 118.22 2bag h HIS 264 Ca 0.30 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.36 2bag h HIS 264 Cb 0.10 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 2bag h HIS 264 CO -0.05 0.84 0.11 0.00 -1.30 0.00 0.00 177.93 177.52 2bag h LEU 266 N 0.37 0.00 -0.35 0.00 3.38 -0.77 -2.30 115.31 115.65 2bag h LEU 266 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2bag h LEU 266 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2bag h LEU 266 CO -0.01 0.13 0.00 0.03 0.09 0.00 0.00 178.44 178.69 2bag h ARG 267 N 0.00 0.00 0.00 1.13 3.08 -0.96 -3.02 114.38 114.61 2bag h ARG 267 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2bag h ARG 267 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2bag h ARG 267 CO 0.02 0.00 -0.59 0.93 -1.07 0.00 0.00 179.97 179.26 2bag h GLU 268 N 0.00 0.00 -6.94 0.04 4.39 -1.23 -3.47 114.58 107.38 2bag h GLU 268 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 2bag h GLU 268 Cb 0.77 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.44 2bag h GLU 268 CO 0.00 0.00 0.41 0.15 -1.16 0.00 0.00 179.01 178.41 2bag s LYS 269 N -3.23 4.25 0.64 2.33 -0.14 -1.14 -5.02 119.74 117.43 2bag s LYS 269 Ca 0.04 1.51 -0.15 0.00 -1.36 0.00 0.00 55.97 56.01 2bag s LYS 269 Cb 0.11 -2.62 -0.01 0.00 -1.68 0.00 0.00 37.83 33.62 2bag s LYS 269 CO 0.72 -0.06 1.09 0.15 -0.76 0.00 0.00 175.35 176.49 2bag s LYS 270 N -2.37 2.96 0.17 1.68 1.02 -1.26 -4.93 119.74 117.01 2bag s LYS 270 Ca 0.56 1.32 -0.22 0.00 0.02 0.00 0.00 55.97 57.65 2bag s LYS 270 Cb -0.22 -1.98 0.08 0.00 -0.52 0.00 0.00 37.83 35.19 2bag s LYS 270 CO 0.28 -1.11 1.60 -1.35 -0.92 0.00 0.00 175.35 173.85 2bag h PRO 271 N 0.13 -0.22 -0.08 -1.68 0.11 -1.96 -1.27 132.00 127.03 2bag h PRO 271 Ca -0.47 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.68 2bag h PRO 271 Cb 1.24 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 2bag h PRO 271 CO 0.55 -0.14 0.18 0.37 -0.21 0.00 0.00 178.00 178.74 2bag h GLN 272 N -0.23 0.00 -0.28 1.05 5.75 -1.99 -0.87 115.11 118.55 2bag h GLN 272 Ca 0.19 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.52 2bag h GLN 272 Cb 0.53 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.08 2bag h GLN 272 CO -0.56 0.00 -0.49 0.93 -2.65 0.00 0.00 178.83 176.06 2bag h GLU 273 N 0.00 0.77 -0.20 1.69 5.08 -1.59 0.23 114.58 120.56 2bag h GLU 273 Ca 0.04 -0.45 -0.17 0.00 -1.00 0.00 0.00 59.36 57.78 2bag h GLU 273 Cb 0.39 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2bag h GLU 273 CO -0.00 1.08 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.50 2bag h LEU 274 N 0.60 0.81 -1.03 1.33 3.38 -1.19 -3.18 115.31 116.04 2bag h LEU 274 Ca 0.03 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 2bag h LEU 274 Cb 1.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2bag h LEU 274 CO 0.11 1.24 0.21 0.40 0.09 0.00 0.00 178.44 180.48 2bag h ILE 275 N 0.42 1.23 0.00 1.22 2.04 -1.33 -1.98 117.51 119.11 2bag h ILE 275 Ca -0.01 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 2bag h ILE 275 Cb 1.14 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2bag h ILE 275 CO 0.11 0.29 -0.07 0.44 0.00 0.00 0.00 178.15 178.92 2bag h ASP 276 N 0.88 0.00 -0.06 1.72 3.32 -0.92 -3.01 116.42 118.35 2bag h ASP 276 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2bag h ASP 276 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2bag h ASP 276 CO -0.01 0.07 0.00 1.33 -1.72 0.00 0.00 179.24 178.91 2bag n VAL 277 N -3.96 0.38 -0.27 -1.35 0.24 -1.10 -4.77 118.33 107.50 2bag n VAL 277 Ca -0.03 -0.69 0.08 0.00 -2.04 0.00 0.00 64.34 61.67 2bag n VAL 277 Cb 0.16 0.87 0.21 0.00 -1.47 0.00 0.00 33.84 33.62 2bag n VAL 277 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2bag h GLU 278 N 0.90 0.22 0.00 7.34 4.81 -1.22 -0.90 114.58 125.73 2bag h GLU 278 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2bag h GLU 278 Cb 0.35 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2bag h GLU 278 CO 0.00 0.15 0.00 0.91 -0.73 0.00 0.00 179.01 179.34 2bag n TRP 279 N -5.20 0.00 1.39 0.92 7.02 -1.26 -3.34 117.44 116.97 2bag n TRP 279 Ca 0.17 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.77 2bag n TRP 279 Cb 0.54 -0.47 0.70 0.00 -2.42 0.00 0.00 31.31 29.66 2bag n TRP 279 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2bag n ASN 280 N -1.47 0.00 -0.34 -0.99 3.02 -0.34 -3.61 115.26 111.53 2bag n ASN 280 Ca 0.06 -0.35 0.11 0.00 -0.03 0.00 0.00 54.58 54.37 2bag n ASN 280 Cb 0.25 -0.18 0.05 0.00 -0.61 0.00 0.00 39.78 39.29 2bag n ASN 280 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2bag n VAL 281 N -1.18 0.00 -1.77 2.41 0.24 -1.21 -4.95 118.33 111.87 2bag n VAL 281 Ca 0.15 -0.18 -0.41 0.00 -2.04 0.00 0.00 64.34 61.86 2bag n VAL 281 Cb 0.17 1.01 -0.00 0.00 -1.47 0.00 0.00 33.84 33.54 2bag n VAL 281 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2bag n LEU 282 N -0.47 4.64 0.14 1.34 4.77 -1.24 -4.82 117.00 121.36 2bag n LEU 282 Ca 0.09 1.22 0.01 0.00 -0.03 0.00 0.00 56.01 57.29 2bag n LEU 282 Cb 0.42 -1.61 0.16 0.00 -2.33 0.00 0.00 43.42 40.06 2bag n LEU 282 CO 0.31 0.11 0.50 1.55 -1.33 0.00 0.00 177.39 178.53 2bag h PRO 283 N 3.13 0.00 -5.61 3.23 0.13 -1.95 -3.46 132.00 127.46 2bag h PRO 283 Ca -0.50 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.11 2bag h PRO 283 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 2bag h PRO 283 CO 0.66 0.58 -0.68 -0.06 -0.23 0.00 0.00 178.00 178.27 2bag s PHE 284 N -3.39 2.03 -0.47 1.56 0.08 -1.26 -5.07 117.98 111.45 2bag s PHE 284 Ca 0.00 -0.64 -0.29 0.00 0.12 0.00 0.00 56.93 56.12 2bag s PHE 284 Cb 0.11 -1.13 0.03 0.00 -0.57 0.00 0.00 43.02 41.46 2bag s PHE 284 CO 0.74 0.36 1.14 0.34 -0.10 0.00 0.00 175.22 177.70 2bag s ASP 285 N -3.47 6.64 0.28 1.36 2.15 -1.26 -4.93 116.67 117.44 2bag s ASP 285 Ca 0.30 0.49 -0.06 0.00 0.43 0.00 0.00 52.55 53.71 2bag s ASP 285 Cb 0.03 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 40.09 2bag s ASP 285 CO 0.12 -1.24 0.39 -0.94 -0.17 0.00 0.00 175.17 173.33 2bag s SER 286 N 2.44 0.40 0.03 -0.34 1.04 -1.26 -4.63 113.70 111.39 2bag s SER 286 Ca 0.48 -1.27 0.05 0.00 0.48 0.00 0.00 55.95 55.69 2bag s SER 286 Cb -0.07 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 2bag s SER 286 CO 0.31 -1.13 -0.13 -0.51 0.98 0.00 0.00 173.24 172.76 2bag s ILE 287 N -3.67 1.06 -1.15 -1.02 1.10 -0.96 -4.78 121.20 111.79 2bag s ILE 287 Ca 0.30 -0.90 -0.06 0.00 -0.51 0.00 0.00 60.65 59.47 2bag s ILE 287 Cb 0.01 -0.95 0.01 0.00 0.15 0.00 0.00 42.46 41.68 2bag s ILE 287 CO 0.15 0.05 0.84 0.33 -2.11 0.00 0.00 174.94 174.20 2bag n PHE 288 N 2.07 -2.15 -4.15 3.50 -0.00 -1.26 -4.79 117.46 110.68 2bag n PHE 288 Ca -0.17 0.72 -0.17 0.00 -0.00 0.00 0.00 57.45 57.82 2bag n PHE 288 Cb 0.55 -4.17 -0.15 0.00 -0.00 0.00 0.00 39.48 35.71 2bag n PHE 288 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2bag s ARG 289 N -5.91 0.55 0.07 -4.13 1.81 -1.26 -4.61 118.95 105.46 2bag s ARG 289 Ca 0.42 -0.14 0.08 0.00 -1.72 0.00 0.00 55.73 54.37 2bag s ARG 289 Cb -0.18 -0.56 -0.03 0.00 -0.45 0.00 0.00 34.95 33.73 2bag s ARG 289 CO 0.52 0.03 -0.22 -0.06 -0.68 0.00 0.00 175.30 174.88 2bag s PHE 290 N 0.31 1.95 0.05 -0.53 0.08 -1.26 -5.06 117.98 113.53 2bag s PHE 290 Ca -0.03 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.33 2bag s PHE 290 Cb -0.07 -1.13 -0.18 0.00 -0.57 0.00 0.00 43.02 41.07 2bag s PHE 290 CO -0.00 0.15 1.49 0.77 -0.10 0.00 0.00 175.22 177.53 2bag h SER 291 N 4.57 -0.60 -3.69 1.36 0.02 -1.90 -3.41 113.55 109.90 2bag h SER 291 Ca -0.45 -0.03 -0.69 0.00 -0.84 0.00 0.00 61.79 59.79 2bag h SER 291 Cb 1.16 0.15 -0.33 0.00 0.14 0.00 0.00 62.40 63.52 2bag h SER 291 CO 0.42 -0.35 -0.66 -0.36 -1.14 0.00 0.00 176.83 174.75 2bag s PHE 292 N -5.59 3.36 0.33 3.45 0.08 -1.26 -5.00 117.98 113.35 2bag s PHE 292 Ca -0.16 -2.01 0.03 0.00 0.12 0.00 0.00 56.93 54.91 2bag s PHE 292 Cb 0.03 -2.42 -0.04 0.00 -0.57 0.00 0.00 43.02 40.02 2bag s PHE 292 CO 0.59 -0.84 0.13 0.14 -0.10 0.00 0.00 175.22 175.13 2bag s VAL 293 N 1.22 0.57 0.55 -0.44 -7.23 -1.26 -4.48 120.40 109.32 2bag s VAL 293 Ca -0.01 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.96 2bag s VAL 293 Cb -0.20 -2.52 -0.07 0.00 0.56 0.00 0.00 36.38 34.14 2bag s VAL 293 CO -0.02 0.00 0.95 -2.65 -0.31 0.00 0.00 175.10 173.08 2bag n PRO 294 N -0.68 1.03 -5.06 4.82 -0.02 -1.24 -4.71 135.00 129.14 2bag n PRO 294 Ca -0.02 0.39 -0.31 0.00 -2.02 0.00 0.00 63.50 61.54 2bag n PRO 294 Cb 0.65 -2.11 -0.15 0.00 -0.02 0.00 0.00 33.50 31.88 2bag n PRO 294 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2bag s VAL 295 N -1.46 2.46 -0.83 -1.45 -7.23 -1.26 -1.27 120.40 109.36 2bag s VAL 295 Ca 0.71 -1.03 -0.25 0.00 -1.81 0.00 0.00 61.98 59.60 2bag s VAL 295 Cb -0.46 -1.92 0.02 0.00 0.56 0.00 0.00 36.38 34.58 2bag s VAL 295 CO 0.51 0.53 1.47 -0.63 -0.31 0.00 0.00 175.10 176.67 2bag s ILE 296 N -0.71 3.72 -0.94 -0.62 -1.09 -0.73 -4.80 121.20 116.03 2bag s ILE 296 Ca 0.11 -0.07 0.21 0.00 -2.23 0.00 0.00 60.65 58.67 2bag s ILE 296 Cb -0.10 -4.76 -0.23 0.00 -1.58 0.00 0.00 42.46 35.79 2bag s ILE 296 CO 0.01 -1.69 0.90 -0.90 -1.23 0.00 0.00 174.94 172.03 2bag n ASP 297 N 10.04 0.92 0.00 3.58 5.75 -1.26 -4.11 116.55 131.47 2bag n ASP 297 Ca 0.18 -0.90 0.00 0.00 -0.01 0.00 0.00 54.79 54.06 2bag n ASP 297 Cb 0.50 1.03 0.00 0.00 -1.03 0.00 0.00 41.12 41.61 2bag n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bag n GLY 298 N 1.48 1.17 0.47 6.12 0.00 -0.26 -4.88 105.19 109.29 2bag n GLY 298 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2bag n GLY 298 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bag n GLU 299 N -2.00 0.00 -0.25 1.61 1.02 -1.26 -4.39 120.64 115.37 2bag n GLU 299 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 2bag n GLU 299 Cb 0.00 -0.07 0.08 0.00 -0.02 0.00 0.00 31.44 31.42 2bag n GLU 299 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2bag h PHE 300 N 0.00 0.81 -3.69 -0.32 3.04 -1.92 -3.34 116.94 111.52 2bag h PHE 300 Ca 0.00 0.02 -0.69 0.00 3.98 0.00 0.00 57.97 61.29 2bag h PHE 300 Cb 0.00 -0.27 -0.31 0.00 2.56 0.00 0.00 35.95 37.94 2bag h PHE 300 CO 0.00 0.46 -0.67 -0.06 -2.02 0.00 0.00 178.31 176.03 2bag s PHE 301 N -6.12 3.22 0.20 0.41 0.08 -1.26 -4.32 117.98 110.19 2bag s PHE 301 Ca -0.13 -1.58 -0.11 0.00 0.12 0.00 0.00 56.93 55.23 2bag s PHE 301 Cb 0.15 -2.17 0.19 0.00 -0.57 0.00 0.00 43.02 40.61 2bag s PHE 301 CO 0.77 -0.74 1.81 -1.35 -0.10 0.00 0.00 175.22 175.60 2bag h PRO 302 N 8.10 0.64 0.00 0.24 0.11 -1.77 -0.68 132.00 138.65 2bag h PRO 302 Ca -0.24 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.64 2bag h PRO 302 Cb 1.08 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.00 2bag h PRO 302 CO 0.57 0.42 -0.18 0.25 -0.21 0.00 0.00 178.00 178.85 2bag n THR 303 N -4.79 0.00 -1.53 -1.15 -2.24 -1.26 -4.36 114.28 98.95 2bag n THR 303 Ca 0.07 -0.92 -0.37 0.00 -2.27 0.00 0.00 64.05 60.56 2bag n THR 303 Cb 0.14 0.44 0.07 0.00 -2.10 0.00 0.00 70.33 68.87 2bag n THR 303 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2bag n SER 304 N -2.40 0.69 -0.27 3.42 3.41 -1.26 -4.82 113.62 112.39 2bag n SER 304 Ca 0.02 0.75 -0.06 0.00 -0.26 0.00 0.00 58.87 59.32 2bag n SER 304 Cb 0.23 -1.40 0.06 0.00 -0.26 0.00 0.00 64.21 62.83 2bag n SER 304 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2bag h LEU 305 N 0.18 0.96 -0.75 1.04 3.38 -1.98 -2.43 115.31 115.70 2bag h LEU 305 Ca -0.48 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.37 2bag h LEU 305 Cb 1.35 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 2bag h LEU 305 CO 0.49 0.82 0.50 -0.08 0.09 0.00 0.00 178.44 180.26 2bag h GLU 306 N 1.03 0.99 -0.04 1.13 4.57 -1.99 0.62 114.58 120.91 2bag h GLU 306 Ca 0.25 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.25 2bag h GLU 306 Cb 0.11 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 2bag h GLU 306 CO -0.03 0.66 -0.55 0.66 -1.18 0.00 0.00 179.01 178.57 2bag h SER 307 N 1.02 0.11 -0.51 1.04 4.64 -1.88 -0.38 113.55 117.60 2bag h SER 307 Ca 0.28 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.48 2bag h SER 307 Cb -0.12 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 2bag h SER 307 CO -0.06 0.64 0.08 0.24 -0.87 0.00 0.00 176.83 176.86 2bag h MET 308 N 0.08 0.84 -0.40 4.77 2.86 -0.90 -0.86 114.93 121.33 2bag h MET 308 Ca -0.00 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.32 2bag h MET 308 Cb 1.00 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 2bag h MET 308 CO 0.08 0.83 -0.13 -0.07 1.06 0.00 0.00 176.91 178.68 2bag h LEU 309 N 0.72 0.71 -0.42 1.22 3.38 -0.57 -0.56 115.31 119.78 2bag h LEU 309 Ca 0.15 -0.21 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 2bag h LEU 309 Cb 0.40 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2bag h LEU 309 CO 0.01 0.86 -0.55 0.78 0.09 0.00 0.00 178.44 179.63 2bag h ASN 310 N 0.65 0.79 0.16 -0.43 2.35 -0.85 -3.23 115.58 115.02 2bag h ASN 310 Ca 0.11 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2bag h ASN 310 Cb 0.59 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2bag h ASN 310 CO 0.04 1.18 -0.11 -1.54 -1.65 0.00 0.00 177.43 175.34 2bag n SER 311 N -3.98 0.99 -0.14 5.81 3.41 -0.35 -4.92 113.62 114.45 2bag n SER 311 Ca -0.04 -1.05 -0.02 0.00 -0.26 0.00 0.00 58.87 57.51 2bag n SER 311 Cb 0.61 0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.59 2bag n SER 311 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bag n GLY 312 N 1.24 0.52 3.45 5.00 0.00 -0.84 -4.94 105.19 109.63 2bag n GLY 312 Ca 0.16 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 2bag n GLY 312 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bag n ASN 313 N 1.62 4.86 -3.63 1.61 5.15 -0.28 -4.83 115.26 119.77 2bag n ASN 313 Ca -0.02 -2.92 -0.04 0.00 -0.60 0.00 0.00 54.58 51.00 2bag n ASN 313 Cb 0.06 -1.71 -0.01 0.00 -0.53 0.00 0.00 39.78 37.59 2bag n ASN 313 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2bag s PHE 314 N 3.67 -0.17 0.17 1.20 -0.12 -1.26 -4.72 117.98 116.75 2bag s PHE 314 Ca 0.51 -0.01 -0.32 0.00 -0.05 0.00 0.00 56.93 57.07 2bag s PHE 314 Cb 0.04 0.57 -0.10 0.00 -0.63 0.00 0.00 43.02 42.90 2bag s PHE 314 CO 0.05 -0.53 1.62 0.21 -0.05 0.00 0.00 175.22 176.52 2bag s LYS 315 N -2.91 4.19 -0.38 1.99 2.20 0.46 -4.97 119.74 120.32 2bag s LYS 315 Ca 0.10 2.43 -0.17 0.00 -0.36 0.00 0.00 55.97 57.98 2bag s LYS 315 Cb 0.00 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 2bag s LYS 315 CO -0.03 -0.66 0.42 0.15 -0.36 0.00 0.00 175.35 174.87 2bag s LYS 316 N 1.26 3.36 0.00 4.03 3.01 -1.26 -4.95 119.74 125.19 2bag s LYS 316 Ca 0.72 -0.53 0.00 0.00 -1.01 0.00 0.00 55.97 55.14 2bag s LYS 316 Cb -0.45 -3.88 0.00 0.00 -1.01 0.00 0.00 37.83 32.49 2bag s LYS 316 CO 0.32 -0.69 0.00 -2.37 0.51 0.00 0.00 175.35 173.12 2bag n THR 317 N 5.36 0.00 -3.75 2.17 5.66 -1.26 -4.78 114.28 117.67 2bag n THR 317 Ca -0.08 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.61 2bag n THR 317 Cb 0.48 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.22 2bag n THR 317 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2bag s GLN 318 N 0.05 3.56 0.02 1.09 1.11 -1.26 -1.24 119.66 123.00 2bag s GLN 318 Ca 0.00 -0.20 -0.02 0.00 0.01 0.00 0.00 55.36 55.15 2bag s GLN 318 Cb 0.00 -2.91 -0.02 0.00 -1.01 0.00 0.00 33.01 29.07 2bag s GLN 318 CO 0.00 0.51 0.01 0.96 0.01 0.00 0.00 175.29 176.78 2bag s ILE 319 N -1.61 0.12 -0.06 1.08 -4.36 0.34 -3.19 121.20 113.52 2bag s ILE 319 Ca 0.39 -0.96 0.01 0.00 -0.26 0.00 0.00 60.65 59.83 2bag s ILE 319 Cb -0.12 -0.43 0.02 0.00 1.25 0.00 0.00 42.46 43.17 2bag s ILE 319 CO 0.26 -0.53 -0.05 -0.22 0.24 0.00 0.00 174.94 174.64 2bag s LEU 320 N -1.61 1.26 0.24 0.37 0.20 -0.86 -1.31 118.68 116.97 2bag s LEU 320 Ca -0.13 -0.17 -0.17 0.00 0.69 0.00 0.00 54.13 54.35 2bag s LEU 320 Cb -0.08 -0.56 0.02 0.00 -0.43 0.00 0.00 46.19 45.14 2bag s LEU 320 CO -0.02 -0.07 0.57 -1.48 -0.29 0.00 0.00 176.35 175.07 2bag s LEU 321 N 1.11 0.05 0.00 -0.68 2.34 -0.17 -1.14 118.68 120.18 2bag s LEU 321 Ca -0.08 -0.66 0.00 0.00 0.06 0.00 0.00 54.13 53.45 2bag s LEU 321 Cb -0.14 2.20 0.00 0.00 -0.56 0.00 0.00 46.19 47.69 2bag s LEU 321 CO -0.01 -1.17 0.00 0.61 -1.06 0.00 0.00 176.35 174.72 2bag n GLY 322 N -0.39 -1.16 3.22 -3.48 0.00 -0.90 -1.22 105.19 101.26 2bag n GLY 322 Ca -0.05 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 2bag n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bag s VAL 323 N -2.51 0.14 0.21 1.61 -7.23 -1.09 -0.57 120.40 110.96 2bag s VAL 323 Ca 0.00 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 2bag s VAL 323 Cb 0.00 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 2bag s VAL 323 CO 0.00 -0.03 0.32 0.20 -0.31 0.00 0.00 175.10 175.28 2bag s ASN 324 N -3.19 6.26 0.22 4.85 0.01 -1.26 -0.51 114.94 121.32 2bag s ASN 324 Ca 0.38 0.07 -0.08 0.00 -0.71 0.00 0.00 52.86 52.52 2bag s ASN 324 Cb 0.07 -1.84 0.19 0.00 0.41 0.00 0.00 41.25 40.08 2bag s ASN 324 CO 0.12 -0.03 1.85 0.50 -1.51 0.00 0.00 177.10 178.03 2bag h LYS 325 N 1.49 1.18 -2.26 -0.60 3.64 -1.40 -3.31 116.57 115.31 2bag h LYS 325 Ca -0.51 -0.13 -0.59 0.00 -1.27 0.00 0.00 60.65 58.16 2bag h LYS 325 Cb 1.22 -0.24 -0.42 0.00 -0.41 0.00 0.00 32.23 32.38 2bag h LYS 325 CO 0.63 0.85 -0.66 -0.25 -2.27 0.00 0.00 179.45 177.76 2bag n ASP 326 N -4.39 4.18 -0.08 4.20 8.00 -0.67 -4.89 116.55 122.90 2bag n ASP 326 Ca 0.09 -3.61 0.11 0.00 0.71 0.00 0.00 54.79 52.09 2bag n ASP 326 Cb 0.08 -0.58 0.49 0.00 -0.02 0.00 0.00 41.12 41.09 2bag n ASP 326 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2bag h GLU 327 N 3.21 0.41 0.00 -1.24 4.39 -1.72 -3.18 114.58 116.44 2bag h GLU 327 Ca 0.14 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 2bag h GLU 327 Cb 0.55 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2bag h GLU 327 CO 0.81 0.27 -0.29 0.78 -1.16 0.00 0.00 179.01 179.42 2bag h GLY 328 N 0.42 0.00 0.03 -3.84 0.00 -1.85 -3.39 103.07 94.44 2bag h GLY 328 Ca 0.27 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.81 2bag h GLY 328 CO -0.08 0.00 0.61 1.48 0.00 0.00 0.00 176.54 178.55 2bag h SER 329 N 0.00 0.73 -0.37 0.19 4.64 -1.80 -1.90 113.55 115.05 2bag h SER 329 Ca -0.01 0.11 0.06 0.00 -0.47 0.00 0.00 61.79 61.49 2bag h SER 329 Cb 1.10 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.12 2bag h SER 329 CO 0.01 0.21 0.03 0.15 -0.87 0.00 0.00 176.83 176.36 2bag h PHE 330 N 0.68 0.03 0.00 4.77 3.04 -1.83 -1.31 116.94 122.33 2bag h PHE 330 Ca 0.60 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.49 2bag h PHE 330 Cb 1.04 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.58 2bag h PHE 330 CO -0.00 -0.04 -0.42 0.74 -2.02 0.00 0.00 178.31 176.56 2bag h PHE 331 N 0.13 0.00 0.00 0.41 -1.00 -1.64 -2.36 116.94 112.49 2bag h PHE 331 Ca 0.18 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.73 2bag h PHE 331 Cb 0.24 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.81 2bag h PHE 331 CO -0.23 0.42 -0.88 -0.07 -1.61 0.00 0.00 178.31 175.94 2bag h LEU 332 N 0.00 0.76 -0.43 1.54 3.38 -1.21 -1.92 115.31 117.43 2bag h LEU 332 Ca -0.00 -0.75 0.07 0.00 0.09 0.00 0.00 57.88 57.29 2bag h LEU 332 Cb 0.93 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 2bag h LEU 332 CO 0.06 1.42 0.05 0.25 0.09 0.00 0.00 178.44 180.31 2bag h LEU 333 N 0.19 -0.06 -0.42 1.67 5.85 -1.10 0.72 115.31 122.15 2bag h LEU 333 Ca -0.11 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 2bag h LEU 333 Cb 1.56 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.70 2bag h LEU 333 CO 0.17 0.00 -0.53 1.88 -0.34 0.00 0.00 178.44 179.63 2bag h TYR 334 N 0.18 0.00 0.00 1.25 -1.99 -1.47 -3.42 116.97 111.52 2bag h TYR 334 Ca 0.21 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.94 2bag h TYR 334 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.01 2bag h TYR 334 CO -0.23 0.53 0.00 0.41 -0.00 0.00 0.00 178.16 178.86 2bag n GLY 335 N 0.79 0.30 3.67 3.88 0.00 -0.72 -5.06 105.19 108.04 2bag n GLY 335 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2bag n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bag s ALA 336 N -0.01 3.35 0.36 4.61 0.00 0.22 -4.99 121.76 125.30 2bag s ALA 336 Ca 0.00 -0.77 -0.28 0.00 0.00 0.00 0.00 51.96 50.91 2bag s ALA 336 Cb 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 23.12 21.35 2bag s ALA 336 CO 0.00 0.44 1.39 -1.25 0.00 0.00 0.00 175.76 176.34 2bag s PRO 337 N -0.42 4.18 0.00 0.00 0.04 -1.26 -3.18 135.00 134.36 2bag s PRO 337 Ca 0.09 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.49 2bag s PRO 337 Cb -0.12 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.44 2bag s PRO 337 CO 0.02 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.08 2bag n GLY 338 N 0.63 1.29 3.74 0.56 0.00 -1.26 -4.87 105.19 105.28 2bag n GLY 338 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2bag n GLY 338 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bag s PHE 339 N -2.34 3.37 0.05 1.61 0.40 -1.19 -4.57 117.98 115.31 2bag s PHE 339 Ca 0.00 0.28 -0.03 0.00 -0.60 0.00 0.00 56.93 56.59 2bag s PHE 339 Cb 0.00 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 2bag s PHE 339 CO 0.00 0.42 0.02 -1.12 0.70 0.00 0.00 175.22 175.25 2bag s SER 340 N -0.32 0.35 0.21 1.36 0.01 -1.26 -4.87 113.70 109.18 2bag s SER 340 Ca 0.10 -0.80 -0.00 0.00 1.31 0.00 0.00 55.95 56.56 2bag s SER 340 Cb -0.12 0.21 0.19 0.00 0.21 0.00 0.00 66.02 66.51 2bag s SER 340 CO 0.01 -0.56 1.54 0.50 0.41 0.00 0.00 173.24 175.15 2bag h LYS 341 N 3.39 0.44 -0.60 12.44 3.64 -1.99 -3.30 116.57 130.60 2bag h LYS 341 Ca -0.33 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 2bag h LYS 341 Cb 1.17 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2bag h LYS 341 CO 0.58 0.87 0.00 -0.25 -2.27 0.00 0.00 179.45 178.38 2bag n ASP 342 N -3.95 3.44 -4.49 4.20 8.00 -1.26 -4.42 116.55 118.06 2bag n ASP 342 Ca -0.03 -1.99 -0.23 0.00 0.71 0.00 0.00 54.79 53.25 2bag n ASP 342 Cb 0.59 -0.40 -0.11 0.00 -0.02 0.00 0.00 41.12 41.18 2bag n ASP 342 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2bag s SER 343 N -1.09 2.92 0.24 -2.24 1.04 -1.24 -5.01 113.70 108.31 2bag s SER 343 Ca 0.43 -1.33 0.22 0.00 0.48 0.00 0.00 55.95 55.75 2bag s SER 343 Cb 0.23 -0.20 0.95 0.00 0.10 0.00 0.00 66.02 67.10 2bag s SER 343 CO 0.30 -0.49 1.68 -0.62 0.98 0.00 0.00 173.24 175.09 2bag n GLU 344 N -0.74 0.17 -3.58 4.02 1.02 -1.26 -4.71 120.64 115.55 2bag n GLU 344 Ca -0.04 0.42 -0.19 0.00 -0.02 0.00 0.00 57.16 57.33 2bag n GLU 344 Cb 0.66 -1.84 0.06 0.00 -0.02 0.00 0.00 31.44 30.30 2bag n GLU 344 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2bag n SER 345 N -2.17 -1.56 -4.74 1.62 7.64 -1.26 -4.83 113.62 108.32 2bag n SER 345 Ca 0.02 -0.73 -0.41 0.00 1.01 0.00 0.00 58.87 58.76 2bag n SER 345 Cb 0.21 -4.52 -0.03 0.00 -1.01 0.00 0.00 64.21 58.86 2bag n SER 345 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2bag s LYS 346 N -5.71 4.44 -0.15 1.43 1.02 -1.26 -4.73 119.74 114.77 2bag s LYS 346 Ca 0.01 2.00 -0.03 0.00 0.02 0.00 0.00 55.97 57.97 2bag s LYS 346 Cb -0.00 -3.19 -0.02 0.00 -0.52 0.00 0.00 37.83 34.09 2bag s LYS 346 CO 0.78 -0.15 -0.06 0.42 -0.92 0.00 0.00 175.35 175.42 2bag s ILE 347 N -0.24 3.70 0.82 2.17 -1.09 -0.37 -4.95 121.20 121.24 2bag s ILE 347 Ca 0.53 -0.42 -0.12 0.00 -2.23 0.00 0.00 60.65 58.41 2bag s ILE 347 Cb -0.35 -2.61 0.09 0.00 -1.58 0.00 0.00 42.46 38.00 2bag s ILE 347 CO 0.40 0.49 1.15 -0.94 -1.23 0.00 0.00 174.94 174.81 2bag s SER 348 N 0.43 4.35 0.26 3.58 1.04 -1.26 -4.28 113.70 117.81 2bag s SER 348 Ca -0.05 0.94 -0.04 0.00 0.48 0.00 0.00 55.95 57.28 2bag s SER 348 Cb -0.15 -1.53 0.34 0.00 0.10 0.00 0.00 66.02 64.79 2bag s SER 348 CO 0.03 -2.02 1.91 0.03 0.98 0.00 0.00 173.24 174.17 2bag h ARG 349 N -1.13 1.23 -0.14 4.02 2.47 -1.93 -0.09 114.38 118.82 2bag h ARG 349 Ca -0.47 -0.07 0.01 0.00 -1.26 0.00 0.00 59.98 58.18 2bag h ARG 349 Cb 1.31 -0.28 -0.01 0.00 -1.65 0.00 0.00 29.97 29.34 2bag h ARG 349 CO 0.64 0.82 0.05 1.49 0.56 0.00 0.00 179.97 183.53 2bag h GLU 350 N 1.27 0.12 0.00 0.04 4.22 -1.99 0.40 114.58 118.64 2bag h GLU 350 Ca 0.40 -0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.74 2bag h GLU 350 Cb 0.01 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2bag h GLU 350 CO -0.13 0.08 -0.46 -0.44 -2.18 0.00 0.00 179.01 175.89 2bag h ASP 351 N 0.13 0.00 -0.01 1.04 3.32 -1.81 -1.39 116.42 117.70 2bag h ASP 351 Ca 0.06 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2bag h ASP 351 Cb 0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 2bag h ASP 351 CO -0.05 0.46 0.00 0.15 -1.72 0.00 0.00 179.24 178.08 2bag h PHE 352 N 0.00 0.02 -0.99 4.55 3.57 -0.46 0.19 116.94 123.82 2bag h PHE 352 Ca -0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2bag h PHE 352 Cb 0.87 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.55 2bag h PHE 352 CO 0.00 0.21 0.66 0.52 -2.23 0.00 0.00 178.31 177.46 2bag h MET 353 N -0.17 1.28 -0.60 1.11 2.86 -0.69 -0.25 114.93 118.47 2bag h MET 353 Ca 0.00 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.48 2bag h MET 353 Cb 0.20 -0.29 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 2bag h MET 353 CO -0.00 0.85 0.02 0.77 1.06 0.00 0.00 176.91 179.61 2bag h SER 354 N 1.32 1.00 -0.41 1.22 0.02 -1.03 -2.77 113.55 112.90 2bag h SER 354 Ca 0.37 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2bag h SER 354 Cb -0.11 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.14 2bag h SER 354 CO -0.09 1.04 0.16 1.23 -1.14 0.00 0.00 176.83 178.03 2bag h GLY 355 N 1.01 0.65 1.83 -3.77 0.00 0.60 -1.83 103.07 101.56 2bag h GLY 355 Ca 0.18 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 2bag h GLY 355 CO 0.02 0.33 -0.38 -0.39 0.00 0.00 0.00 176.54 176.13 2bag h VAL 356 N 0.51 1.29 -0.42 4.60 -1.51 -1.05 0.98 116.25 120.66 2bag h VAL 356 Ca 0.14 -1.42 -0.01 0.00 -1.23 0.00 0.00 66.70 64.18 2bag h VAL 356 Cb 0.19 1.65 -0.02 0.00 -2.13 0.00 0.00 31.29 30.97 2bag h VAL 356 CO -0.01 0.42 0.24 0.50 -1.23 0.00 0.00 177.57 177.49 2bag h LYS 357 N 0.17 0.59 -0.43 5.19 1.63 -1.27 -1.20 116.57 121.25 2bag h LYS 357 Ca 0.02 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.68 2bag h LYS 357 Cb 0.75 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.24 2bag h LYS 357 CO 0.06 0.46 -0.04 -0.07 -3.45 0.00 0.00 179.45 176.41 2bag h LEU 358 N 0.56 0.69 -0.53 5.20 4.07 -0.78 -3.13 115.31 121.38 2bag h LEU 358 Ca 0.15 -0.17 -0.13 0.00 0.08 0.00 0.00 57.88 57.81 2bag h LEU 358 Cb 0.04 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 2bag h LEU 358 CO -0.03 0.78 -0.60 0.28 -1.08 0.00 0.00 178.44 177.79 2bag h SER 359 N 0.66 0.00 -2.13 -0.43 0.02 -0.20 -2.55 113.55 108.93 2bag h SER 359 Ca 0.13 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.51 2bag h SER 359 Cb 0.47 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.60 2bag h SER 359 CO 0.02 0.60 -0.85 0.52 -1.14 0.00 0.00 176.83 175.99 2bag n VAL 360 N -3.53 1.26 -0.26 2.27 0.31 -0.51 -4.90 118.33 112.98 2bag n VAL 360 Ca -0.00 -4.87 0.21 0.00 -0.01 0.00 0.00 64.34 59.67 2bag n VAL 360 Cb 0.67 -1.58 0.53 0.00 -0.91 0.00 0.00 33.84 32.55 2bag n VAL 360 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2bag h PRO 361 N 3.65 0.35 -0.06 5.55 0.13 -1.67 -1.90 132.00 138.06 2bag h PRO 361 Ca 0.13 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2bag h PRO 361 Cb 0.74 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2bag h PRO 361 CO 0.67 0.23 0.00 -2.39 -0.23 0.00 0.00 178.00 176.28 2bag n HIS 362 N -4.50 0.07 -3.48 1.56 1.44 -1.26 -4.92 115.22 104.13 2bag n HIS 362 Ca 0.21 -0.04 -0.38 0.00 -2.01 0.00 0.00 57.72 55.50 2bag n HIS 362 Cb 0.77 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.82 2bag n HIS 362 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2bag s ALA 363 N -1.93 3.68 0.92 1.59 0.00 -0.72 -5.10 121.76 120.21 2bag s ALA 363 Ca 0.29 -0.20 -0.15 0.00 0.00 0.00 0.00 51.96 51.91 2bag s ALA 363 Cb 0.14 -2.41 0.16 0.00 0.00 0.00 0.00 23.12 21.01 2bag s ALA 363 CO 0.23 0.48 1.26 0.54 0.00 0.00 0.00 175.76 178.26 2bag s ASN 364 N -1.14 3.53 0.29 0.00 2.20 -1.26 -4.73 114.94 113.82 2bag s ASN 364 Ca 0.25 0.49 0.02 0.00 -0.94 0.00 0.00 52.86 52.68 2bag s ASN 364 Cb -0.17 -0.72 0.57 0.00 -2.00 0.00 0.00 41.25 38.94 2bag s ASN 364 CO 0.14 -2.49 1.84 0.44 -2.94 0.00 0.00 177.10 174.09 2bag h ASP 365 N -1.47 0.91 -0.55 3.54 5.19 -1.98 -0.26 116.42 121.80 2bag h ASP 365 Ca -0.45 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 55.98 2bag h ASP 365 Cb 1.27 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 40.62 2bag h ASP 365 CO 0.49 0.48 0.25 0.25 -3.12 0.00 0.00 179.24 177.59 2bag h LEU 366 N 0.98 0.74 -0.43 1.55 5.85 -1.97 0.06 115.31 122.09 2bag h LEU 366 Ca 0.49 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 2bag h LEU 366 Cb 0.50 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2bag h LEU 366 CO -0.26 0.67 0.24 1.23 -0.34 0.00 0.00 178.44 179.99 2bag h GLY 367 N 0.75 0.63 1.05 3.75 0.00 -1.63 0.07 103.07 107.69 2bag h GLY 367 Ca 0.19 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.28 2bag h GLY 367 CO -0.02 0.26 0.56 1.41 0.00 0.00 0.00 176.54 178.76 2bag h LEU 368 N 0.56 0.93 -0.43 3.11 3.38 -0.70 -1.46 115.31 120.70 2bag h LEU 368 Ca 0.15 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2bag h LEU 368 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2bag h LEU 368 CO -0.03 0.64 0.02 0.44 0.09 0.00 0.00 178.44 179.61 2bag h ASP 369 N 1.08 0.72 -0.88 -0.43 3.32 -0.18 -1.65 116.42 118.39 2bag h ASP 369 Ca 0.34 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2bag h ASP 369 Cb 0.01 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 2bag h ASP 369 CO -0.10 0.83 0.56 0.00 -1.72 0.00 0.00 179.24 178.81 2bag h ALA 370 N 0.91 1.12 0.21 3.45 0.00 -0.30 0.32 119.26 124.97 2bag h ALA 370 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2bag h ALA 370 Cb 0.45 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2bag h ALA 370 CO 0.02 0.55 -0.10 0.28 0.00 0.00 0.00 179.25 179.99 2bag h VAL 371 N 1.20 0.85 -0.57 0.00 2.07 -1.18 -1.39 116.25 117.23 2bag h VAL 371 Ca 0.32 -0.33 0.09 0.00 0.82 0.00 0.00 66.70 67.61 2bag h VAL 371 Cb -0.09 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 2bag h VAL 371 CO -0.06 0.07 0.18 0.74 0.02 0.00 0.00 177.57 178.52 2bag h THR 372 N -0.45 0.74 -0.71 2.57 2.02 -0.94 -0.72 112.91 115.41 2bag h THR 372 Ca -0.03 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 2bag h THR 372 Cb 0.34 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 2bag h THR 372 CO 0.05 0.06 0.22 0.25 0.37 0.00 0.00 175.52 176.47 2bag h LEU 373 N 0.34 1.04 -1.76 2.58 5.85 -0.88 -1.49 115.31 120.99 2bag h LEU 373 Ca 0.29 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2bag h LEU 373 Cb 0.38 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 2bag h LEU 373 CO -0.32 0.98 -0.16 -0.61 -0.34 0.00 0.00 178.44 177.98 2bag h GLN 374 N 1.05 0.00 -0.16 1.25 5.75 -0.02 -3.15 115.11 119.84 2bag h GLN 374 Ca 0.23 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 2bag h GLN 374 Cb 0.31 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.86 2bag h GLN 374 CO -0.01 0.16 0.00 0.66 -2.65 0.00 0.00 178.83 177.00 2bag n TYR 375 N -3.99 0.21 -4.09 3.99 4.01 -0.55 -5.00 117.16 111.74 2bag n TYR 375 Ca -0.02 -0.37 -0.34 0.00 -0.16 0.00 0.00 57.90 57.01 2bag n TYR 375 Cb 0.25 -0.03 -0.10 0.00 -0.31 0.00 0.00 39.34 39.15 2bag n TYR 375 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2bag s THR 376 N -0.88 4.61 -0.64 -0.72 2.01 -0.58 -4.84 115.64 114.59 2bag s THR 376 Ca 0.12 -0.10 -0.22 0.00 0.31 0.00 0.00 61.69 61.80 2bag s THR 376 Cb 0.07 -3.07 0.07 0.00 0.01 0.00 0.00 72.50 69.58 2bag s THR 376 CO 0.09 0.47 0.93 -0.62 -0.69 0.00 0.00 174.62 174.80 2bag s ASP 377 N 0.34 6.18 0.00 3.53 -1.08 -1.26 -4.88 116.67 119.51 2bag s ASP 377 Ca 0.02 -1.01 0.10 0.00 -0.52 0.00 0.00 52.55 51.14 2bag s ASP 377 Cb -0.13 -2.40 0.61 0.00 -1.46 0.00 0.00 42.92 39.54 2bag s ASP 377 CO 0.01 -1.38 1.09 0.79 0.52 0.00 0.00 175.17 176.19 2bag n TRP 378 N 7.50 0.00 1.00 -5.34 7.02 -1.26 -1.47 117.44 124.89 2bag n TRP 378 Ca -0.04 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.54 2bag n TRP 378 Cb 0.45 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.25 2bag n TRP 378 CO 0.00 0.00 0.00 -0.12 -2.02 0.00 0.00 177.69 175.55 2bag n MET 379 N -0.77 0.16 -2.70 -0.99 1.56 -1.26 -4.48 117.12 108.63 2bag n MET 379 Ca 0.08 -0.13 -0.07 0.00 -0.27 0.00 0.00 57.70 57.30 2bag n MET 379 Cb 0.04 -1.50 0.11 0.00 2.15 0.00 0.00 33.22 34.02 2bag n MET 379 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2bag n ASP 380 N -1.30 -1.94 0.29 6.12 2.03 -0.54 -5.01 116.55 116.20 2bag n ASP 380 Ca 0.05 -2.60 0.17 0.00 0.52 0.00 0.00 54.79 52.93 2bag n ASP 380 Cb 0.35 1.15 0.89 0.00 -0.72 0.00 0.00 41.12 42.79 2bag n ASP 380 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 2bag h ASP 381 N 2.11 0.00 -0.56 1.67 2.03 -1.55 -2.75 116.42 117.37 2bag h ASP 381 Ca -0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 2bag h ASP 381 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2bag h ASP 381 CO -0.05 0.05 0.00 0.59 -1.03 0.00 0.00 179.24 178.80 2bag n ASN 382 N -3.37 4.26 -4.62 4.15 3.02 -1.26 -4.76 115.26 112.69 2bag n ASN 382 Ca -0.02 -2.41 -0.43 0.00 -0.03 0.00 0.00 54.58 51.69 2bag n ASN 382 Cb 0.19 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 38.79 2bag n ASN 382 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2bag s ASN 383 N -0.83 6.61 0.46 6.41 3.84 -1.04 -4.90 114.94 125.49 2bag s ASN 383 Ca 0.45 0.91 0.12 0.00 0.21 0.00 0.00 52.86 54.54 2bag s ASN 383 Cb 0.29 -2.54 1.04 0.00 -0.55 0.00 0.00 41.25 39.49 2bag s ASN 383 CO 0.21 -1.19 2.08 1.23 -2.79 0.00 0.00 177.10 176.64 2bag h GLY 384 N 11.21 0.26 0.99 1.21 0.00 -1.90 -1.82 103.07 113.02 2bag h GLY 384 Ca -0.25 -0.10 -0.19 0.00 0.00 0.00 0.00 47.33 46.79 2bag h GLY 384 CO 1.07 0.10 -0.67 -2.22 0.00 0.00 0.00 176.54 174.83 2bag h ILE 385 N 0.25 1.34 -0.55 2.60 1.08 -1.90 -0.85 117.51 119.48 2bag h ILE 385 Ca 0.07 -1.96 -0.09 0.00 -0.39 0.00 0.00 64.86 62.49 2bag h ILE 385 Cb 0.02 2.21 -0.02 0.00 -3.07 0.00 0.00 36.82 35.96 2bag h ILE 385 CO -0.01 0.60 -0.02 0.11 -0.69 0.00 0.00 178.15 178.13 2bag h LYS 386 N 0.25 0.96 -0.46 2.37 1.57 -1.88 0.27 116.57 119.64 2bag h LYS 386 Ca -0.06 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 58.35 2bag h LYS 386 Cb 1.32 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 2bag h LYS 386 CO 0.14 0.96 0.02 -0.91 -0.57 0.00 0.00 179.45 179.08 2bag h ASN 387 N 0.88 0.79 0.43 0.86 2.35 -1.39 0.41 115.58 119.90 2bag h ASN 387 Ca 0.16 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 2bag h ASN 387 Cb 0.55 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2bag h ASN 387 CO 0.03 0.89 -0.21 -0.09 -1.65 0.00 0.00 177.43 176.41 2bag h ARG 388 N 0.66 -0.56 -0.43 0.81 1.12 -1.18 -1.48 114.38 113.32 2bag h ARG 388 Ca 0.13 0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 59.03 2bag h ARG 388 Cb 0.48 0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 30.54 2bag h ARG 388 CO 0.02 -0.28 0.22 -0.44 -3.11 0.00 0.00 179.97 176.38 2bag h ASP 389 N -0.77 0.53 -0.51 -3.80 3.32 -0.93 -0.15 116.42 114.11 2bag h ASP 389 Ca -0.06 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 2bag h ASP 389 Cb 0.53 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2bag h ASP 389 CO 0.10 0.44 0.05 1.23 -1.72 0.00 0.00 179.24 179.34 2bag h GLY 390 N 0.69 0.94 1.04 2.75 0.00 -0.06 0.40 103.07 108.83 2bag h GLY 390 Ca 0.15 -0.65 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 2bag h GLY 390 CO -0.02 0.60 0.07 -2.00 0.00 0.00 0.00 176.54 175.19 2bag h LEU 391 N 0.74 0.96 -0.29 3.11 5.85 -0.70 -0.00 115.31 124.99 2bag h LEU 391 Ca 0.15 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.63 2bag h LEU 391 Cb 0.44 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2bag h LEU 391 CO 0.02 0.99 0.10 -0.78 -0.34 0.00 0.00 178.44 178.43 2bag h ASP 392 N 0.90 0.12 -0.63 1.25 1.82 -0.66 -1.77 116.42 117.45 2bag h ASP 392 Ca 0.18 0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 56.79 2bag h ASP 392 Cb 0.46 0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.45 2bag h ASP 392 CO 0.02 0.10 0.18 0.44 -1.61 0.00 0.00 179.24 178.37 2bag h ASP 393 N 0.24 0.95 0.04 2.28 3.32 -0.53 -1.63 116.42 121.09 2bag h ASP 393 Ca 0.13 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2bag h ASP 393 Cb 0.09 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 2bag h ASP 393 CO -0.12 0.91 -0.03 0.40 -1.72 0.00 0.00 179.24 178.67 2bag h ILE 394 N 0.98 0.92 -0.45 0.35 2.04 -0.50 0.51 117.51 121.35 2bag h ILE 394 Ca 0.21 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.06 2bag h ILE 394 Cb 0.32 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2bag h ILE 394 CO -0.00 0.00 0.25 0.58 0.00 0.00 0.00 178.15 178.98 2bag h VAL 395 N -0.08 1.16 -0.20 1.67 2.07 -1.23 -1.15 116.25 118.49 2bag h VAL 395 Ca 0.00 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2bag h VAL 395 Cb 0.08 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2bag h VAL 395 CO -0.01 0.17 0.06 1.23 0.02 0.00 0.00 177.57 179.04 2bag h GLY 396 N 0.59 0.33 0.86 2.17 0.00 -1.05 -1.95 103.07 104.02 2bag h GLY 396 Ca 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2bag h GLY 396 CO -0.03 0.19 0.05 -0.55 0.00 0.00 0.00 176.54 176.20 2bag h ASP 397 N 0.14 0.22 -0.42 0.19 3.32 0.12 -0.71 116.42 119.29 2bag h ASP 397 Ca 0.06 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 56.85 2bag h ASP 397 Cb 0.24 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2bag h ASP 397 CO -0.00 0.36 -0.01 -0.74 -1.72 0.00 0.00 179.24 177.13 2bag h HIS 398 N 0.07 0.81 0.02 4.55 2.76 -1.24 -0.21 115.15 121.91 2bag h HIS 398 Ca 0.05 -0.14 -0.28 0.00 -2.20 0.00 0.00 60.37 57.79 2bag h HIS 398 Cb 0.21 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 28.92 2bag h HIS 398 CO -0.00 0.82 -1.58 -0.91 -1.30 0.00 0.00 177.93 174.95 2bag h ASN 399 N 0.57 0.06 0.00 3.26 2.35 -1.41 -3.41 115.58 117.00 2bag h ASN 399 Ca 0.12 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2bag h ASN 399 Cb 0.50 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2bag h ASN 399 CO 0.02 1.09 0.00 0.52 -1.65 0.00 0.00 177.43 177.41 2bag n VAL 400 N -3.16 0.66 0.36 2.81 0.31 -0.39 -4.61 118.33 114.31 2bag n VAL 400 Ca -0.15 0.22 -0.18 0.00 -0.01 0.00 0.00 64.34 64.22 2bag n VAL 400 Cb 1.03 -1.13 -0.09 0.00 -0.91 0.00 0.00 33.84 32.74 2bag n VAL 400 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2bag h ILE 401 N 0.00 0.37 -0.37 2.52 2.04 -1.35 -1.13 117.51 119.59 2bag h ILE 401 Ca 0.00 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 2bag h ILE 401 Cb 0.00 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 2bag h ILE 401 CO 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 178.04 2bag h PRO 403 N 0.60 1.08 -0.63 0.00 0.11 -1.71 -0.22 132.00 131.22 2bag h PRO 403 Ca 0.11 -0.31 -0.09 0.00 0.11 0.00 0.00 66.00 65.82 2bag h PRO 403 Cb 0.55 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 2bag h PRO 403 CO 0.03 1.01 0.04 1.25 -0.21 0.00 0.00 178.00 180.12 2bag h LEU 404 N 0.99 1.07 -1.09 2.35 6.46 -0.70 -0.66 115.31 123.73 2bag h LEU 404 Ca 0.19 -0.29 -0.07 0.00 -0.12 0.00 0.00 57.88 57.59 2bag h LEU 404 Cb 0.48 -0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 2bag h LEU 404 CO 0.02 1.09 -0.08 0.24 -0.62 0.00 0.00 178.44 179.09 2bag h MET 405 N 1.00 0.55 -0.43 1.25 2.86 -0.32 0.13 114.93 119.98 2bag h MET 405 Ca 0.18 -0.15 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 2bag h MET 405 Cb 0.52 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2bag h MET 405 CO 0.03 0.64 -0.17 1.25 1.06 0.00 0.00 176.91 179.71 2bag h HIS 406 N 0.52 1.00 -0.13 -0.22 -0.00 -0.59 -1.62 115.15 114.11 2bag h HIS 406 Ca 0.10 -0.24 -0.00 0.00 -0.00 0.00 0.00 60.37 60.23 2bag h HIS 406 Cb 0.45 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 2bag h HIS 406 CO 0.02 1.01 0.06 0.35 -0.00 0.00 0.00 177.93 179.37 2bag h PHE 407 N 0.70 0.19 -0.80 5.26 3.57 -0.66 -1.71 116.94 123.50 2bag h PHE 407 Ca 0.10 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2bag h PHE 407 Cb 0.72 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 2bag h PHE 407 CO 0.05 0.24 0.36 -0.24 -2.23 0.00 0.00 178.31 176.49 2bag h VAL 408 N 0.08 1.25 -0.42 1.41 3.04 -0.66 0.46 116.25 121.42 2bag h VAL 408 Ca 0.04 -0.74 -0.09 0.00 -1.01 0.00 0.00 66.70 64.90 2bag h VAL 408 Cb 0.12 0.26 -0.02 0.00 -2.01 0.00 0.00 31.29 29.65 2bag h VAL 408 CO -0.01 0.31 -0.11 0.78 -1.01 0.00 0.00 177.57 177.54 2bag h ASN 409 N 1.14 0.75 0.10 3.17 2.35 -1.22 0.61 115.58 122.47 2bag h ASN 409 Ca 0.27 -0.22 -0.22 0.00 -0.55 0.00 0.00 56.30 55.58 2bag h ASN 409 Cb 0.15 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.32 2bag h ASN 409 CO -0.03 0.88 -0.86 0.11 -1.65 0.00 0.00 177.43 175.88 2bag h LYS 410 N 0.69 0.59 -0.11 0.81 1.79 -0.69 -3.27 116.57 116.39 2bag h LYS 410 Ca 0.12 -0.54 -0.03 0.00 -2.18 0.00 0.00 60.65 58.02 2bag h LYS 410 Cb 0.58 0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2bag h LYS 410 CO 0.04 1.16 -0.04 -0.92 -1.08 0.00 0.00 179.45 178.61 2bag h TYR 411 N 0.37 0.24 -0.80 -1.35 3.20 0.12 -3.14 116.97 115.61 2bag h TYR 411 Ca -0.07 -0.06 0.23 0.00 3.14 0.00 0.00 58.73 61.98 2bag h TYR 411 Cb 1.49 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.67 2bag h TYR 411 CO 0.07 0.54 0.59 1.15 -1.64 0.00 0.00 178.16 178.87 2bag h THR 412 N -0.13 0.57 0.00 1.81 2.02 -0.96 0.11 112.91 116.33 2bag h THR 412 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 2bag h THR 412 Cb 0.47 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2bag h THR 412 CO 0.01 0.00 -0.12 0.50 0.37 0.00 0.00 175.52 176.28 2bag h LYS 413 N 0.00 0.00 0.00 6.66 3.64 -1.59 -3.29 116.57 121.99 2bag h LYS 413 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2bag h LYS 413 Cb 1.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 2bag h LYS 413 CO -0.00 0.12 -0.77 1.19 -2.27 0.00 0.00 179.45 177.71 2bag n PHE 414 N -4.29 0.00 -1.14 1.91 3.72 0.14 -5.08 117.46 112.72 2bag n PHE 414 Ca -0.03 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.07 2bag n PHE 414 Cb 0.19 -0.04 0.23 0.00 -0.94 0.00 0.00 39.48 38.93 2bag n PHE 414 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2bag s GLY 415 N -1.93 1.59 -0.07 1.37 0.00 0.06 -4.83 107.32 103.51 2bag s GLY 415 Ca -0.00 -0.94 0.14 0.00 0.00 0.00 0.00 44.72 43.91 2bag s GLY 415 CO 0.10 -0.07 1.37 -2.01 0.00 0.00 0.00 173.10 172.49 2bag n ASN 416 N -4.68 3.51 0.00 1.64 4.05 -0.37 -4.89 115.26 114.53 2bag n ASN 416 Ca 0.13 -2.38 0.00 0.00 0.45 0.00 0.00 54.58 52.78 2bag n ASN 416 Cb 0.59 -0.38 0.00 0.00 1.23 0.00 0.00 39.78 41.22 2bag n ASN 416 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2bag n GLY 417 N 0.31 3.42 3.08 8.20 0.00 -1.24 -4.70 105.19 114.25 2bag n GLY 417 Ca 0.17 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2bag n GLY 417 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bag s THR 418 N 0.00 1.31 -0.14 2.61 2.01 -1.26 -0.50 115.64 119.67 2bag s THR 418 Ca 0.00 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.40 2bag s THR 418 Cb 0.00 -1.16 0.02 0.00 0.01 0.00 0.00 72.50 71.37 2bag s THR 418 CO 0.00 0.39 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.86 2bag s TYR 419 N 0.38 2.18 -0.09 4.92 1.51 -0.43 0.22 117.35 126.04 2bag s TYR 419 Ca -0.11 -1.17 0.01 0.00 -1.01 0.00 0.00 57.07 54.80 2bag s TYR 419 Cb -0.14 -1.58 -0.02 0.00 -0.11 0.00 0.00 41.96 40.11 2bag s TYR 419 CO 0.04 -0.62 -0.12 -1.17 -1.11 0.00 0.00 175.55 172.57 2bag s LEU 420 N 1.29 2.85 0.24 -1.29 2.96 -1.26 -1.00 118.68 122.48 2bag s LEU 420 Ca 0.01 -0.20 0.06 0.00 -0.22 0.00 0.00 54.13 53.79 2bag s LEU 420 Cb -0.14 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 2bag s LEU 420 CO -0.08 0.28 -0.08 -0.72 -1.32 0.00 0.00 176.35 174.43 2bag s TYR 421 N -0.33 1.80 -0.24 5.38 1.13 -0.35 -2.06 117.35 122.68 2bag s TYR 421 Ca 0.04 -0.69 -0.03 0.00 -1.41 0.00 0.00 57.07 54.98 2bag s TYR 421 Cb -0.13 -0.97 0.08 0.00 -1.10 0.00 0.00 41.96 39.84 2bag s TYR 421 CO 0.02 0.26 0.07 0.12 -2.51 0.00 0.00 175.55 173.51 2bag s PHE 422 N -3.06 1.09 -0.37 -3.49 5.36 0.23 -2.66 117.98 115.06 2bag s PHE 422 Ca 0.27 -1.08 -0.21 0.00 -0.96 0.00 0.00 56.93 54.94 2bag s PHE 422 Cb 0.03 -1.18 0.01 0.00 -0.34 0.00 0.00 43.02 41.53 2bag s PHE 422 CO 0.09 -0.71 0.69 0.12 -1.46 0.00 0.00 175.22 173.95 2bag s PHE 423 N 1.84 3.12 -0.24 10.12 5.36 0.34 -0.45 117.98 138.06 2bag s PHE 423 Ca 0.03 0.35 0.19 0.00 -0.96 0.00 0.00 56.93 56.54 2bag s PHE 423 Cb -0.17 -3.27 0.49 0.00 -0.34 0.00 0.00 43.02 39.73 2bag s PHE 423 CO -0.17 -0.71 1.14 0.27 -1.46 0.00 0.00 175.22 174.30 2bag n ASN 424 N 6.22 2.41 -4.46 6.13 6.94 -1.10 -1.46 115.26 129.94 2bag n ASN 424 Ca 0.00 -2.56 -0.36 0.00 -0.02 0.00 0.00 54.58 51.65 2bag n ASN 424 Cb 0.48 -0.43 -0.12 0.00 -2.36 0.00 0.00 39.78 37.35 2bag n ASN 424 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 2bag s HIS 425 N -3.37 3.08 -0.21 -2.53 2.46 -1.25 -4.96 115.29 108.51 2bag s HIS 425 Ca 0.34 -0.40 -0.24 0.00 0.47 0.00 0.00 55.06 55.23 2bag s HIS 425 Cb 0.35 -2.18 -0.01 0.00 -0.13 0.00 0.00 32.58 30.61 2bag s HIS 425 CO -0.03 -0.29 0.78 0.50 -2.47 0.00 0.00 174.74 173.23 2bag s ARG 426 N 1.35 4.22 0.34 2.88 3.52 -1.26 -4.88 118.95 125.11 2bag s ARG 426 Ca 0.05 0.89 -0.29 0.00 -0.13 0.00 0.00 55.73 56.25 2bag s ARG 426 Cb -0.15 -3.61 -0.12 0.00 -1.56 0.00 0.00 34.95 29.51 2bag s ARG 426 CO 0.03 -0.41 1.39 0.00 -0.81 0.00 0.00 175.30 175.50 2bag n ALA 427 N 5.60 1.73 0.25 6.12 0.00 -1.26 -4.88 120.51 128.06 2bag n ALA 427 Ca 0.04 0.36 0.13 0.00 0.00 0.00 0.00 53.44 53.96 2bag n ALA 427 Cb 0.48 -2.33 0.64 0.00 0.00 0.00 0.00 19.45 18.25 2bag n ALA 427 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2bag h SER 428 N 3.05 0.00 -0.47 0.00 4.64 -1.94 -2.96 113.55 115.87 2bag h SER 428 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2bag h SER 428 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2bag h SER 428 CO 0.66 0.14 0.00 -0.46 -0.87 0.00 0.00 176.83 176.30 2bag n ASN 429 N -3.47 5.02 -4.73 4.97 6.94 -1.26 -5.01 115.26 117.72 2bag n ASN 429 Ca -0.01 -2.93 -0.42 0.00 -0.02 0.00 0.00 54.58 51.20 2bag n ASN 429 Cb 0.31 -0.63 -0.02 0.00 -2.36 0.00 0.00 39.78 37.08 2bag n ASN 429 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2bag s LEU 430 N -2.73 4.37 0.12 -4.53 1.43 -1.12 -4.92 118.68 111.30 2bag s LEU 430 Ca 0.50 2.76 0.24 0.00 -1.03 0.00 0.00 54.13 56.61 2bag s LEU 430 Cb 0.38 -3.61 0.38 0.00 0.03 0.00 0.00 46.19 43.38 2bag s LEU 430 CO 0.14 -0.85 1.36 1.33 0.23 0.00 0.00 176.35 178.56 2bag n VAL 431 N 3.09 0.37 -2.39 -1.59 0.24 -1.26 -4.87 118.33 111.92 2bag n VAL 431 Ca 0.11 -0.27 -0.33 0.00 -2.04 0.00 0.00 64.34 61.81 2bag n VAL 431 Cb 0.38 -0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 32.57 2bag n VAL 431 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2bag s TRP 432 N -3.16 3.16 0.94 6.34 0.52 -1.26 -4.99 118.94 120.48 2bag s TRP 432 Ca 0.07 1.53 -0.10 0.00 0.02 0.00 0.00 56.10 57.62 2bag s TRP 432 Cb 0.13 -2.95 0.15 0.00 -1.15 0.00 0.00 33.47 29.66 2bag s TRP 432 CO 0.71 -0.70 1.11 -0.35 0.02 0.00 0.00 176.95 177.74 2bag n PRO 433 N -1.42 -0.58 -0.30 4.98 -0.04 -1.26 -4.93 135.00 131.46 2bag n PRO 433 Ca 0.08 -0.11 -0.03 0.00 -0.04 0.00 0.00 63.50 63.41 2bag n PRO 433 Cb 0.53 -2.34 0.09 0.00 -0.04 0.00 0.00 33.50 31.74 2bag n PRO 433 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2bag h GLU 434 N -1.94 1.01 -0.07 0.54 4.57 -1.94 -2.94 114.58 113.80 2bag h GLU 434 Ca -0.44 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 57.70 2bag h GLU 434 Cb 1.27 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 29.63 2bag h GLU 434 CO 0.41 0.67 0.18 0.11 -1.18 0.00 0.00 179.01 179.19 2bag h TRP 435 N 1.04 0.00 0.00 0.92 5.08 -1.91 -0.48 115.95 120.60 2bag h TRP 435 Ca 0.32 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.29 2bag h TRP 435 Cb -0.03 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.13 2bag h TRP 435 CO -0.02 0.00 0.00 0.52 -1.28 0.00 0.00 178.44 177.66 2bag h MET 436 N 0.00 0.00 0.00 0.12 2.86 -1.88 -3.49 114.93 112.54 2bag h MET 436 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2bag h MET 436 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2bag h MET 436 CO -0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2bag n GLY 437 N 0.80 3.00 3.38 8.32 0.00 -0.19 -4.02 105.19 116.49 2bag n GLY 437 Ca 0.04 -0.22 -0.45 0.00 0.00 0.00 0.00 46.02 45.38 2bag n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bag s VAL 438 N 0.00 5.16 0.53 1.61 1.01 -1.26 -4.84 120.40 122.61 2bag s VAL 438 Ca 0.00 -1.93 -0.21 0.00 0.00 0.00 0.00 61.98 59.84 2bag s VAL 438 Cb 0.00 -4.60 -0.05 0.00 0.00 0.00 0.00 36.38 31.73 2bag s VAL 438 CO 0.00 -1.24 1.21 -0.63 0.00 0.00 0.00 175.10 174.45 2bag s ILE 439 N 1.50 2.75 0.06 2.22 1.01 -1.26 -1.66 121.20 125.82 2bag s ILE 439 Ca 0.23 0.51 -0.35 0.00 0.00 0.00 0.00 60.65 61.05 2bag s ILE 439 Cb -0.10 -3.24 -0.14 0.00 0.01 0.00 0.00 42.46 38.99 2bag s ILE 439 CO -0.07 -0.05 1.60 1.57 0.00 0.00 0.00 174.94 177.98 2bag n HIS 440 N -1.08 2.10 -0.45 3.97 -0.00 -1.25 -1.51 115.22 117.01 2bag n HIS 440 Ca 0.11 0.32 0.00 0.00 -0.00 0.00 0.00 57.72 58.14 2bag n HIS 440 Cb 0.48 -2.51 0.00 0.00 -0.00 0.00 0.00 29.99 27.96 2bag n HIS 440 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2bag n GLY 441 N 3.46 1.15 1.23 1.57 0.00 -1.26 -4.93 105.19 106.41 2bag n GLY 441 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 2bag n GLY 441 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bag n TYR 442 N -2.00 1.06 0.02 1.61 4.02 -0.57 -3.27 117.16 118.03 2bag n TYR 442 Ca 0.00 -0.44 0.06 0.00 -0.01 0.00 0.00 57.90 57.51 2bag n TYR 442 Cb 0.00 -0.16 -0.11 0.00 -0.02 0.00 0.00 39.34 39.06 2bag n TYR 442 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2bag n GLU 443 N 0.89 0.64 -0.18 -0.72 0.00 -1.26 -4.34 120.64 115.67 2bag n GLU 443 Ca 0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.34 2bag n GLU 443 Cb 0.66 -1.66 0.08 0.00 0.00 0.00 0.00 31.44 30.52 2bag n GLU 443 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2bag h ILE 444 N 0.00 0.65 -0.20 3.84 2.04 -1.95 0.27 117.51 122.15 2bag h ILE 444 Ca -0.10 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.74 2bag h ILE 444 Cb 1.28 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2bag h ILE 444 CO 0.01 0.04 0.19 1.05 0.00 0.00 0.00 178.15 179.44 2bag h GLU 445 N 0.20 0.00 0.02 2.37 4.11 -1.79 0.91 114.58 120.41 2bag h GLU 445 Ca 0.28 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.46 2bag h GLU 445 Cb 0.41 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2bag h GLU 445 CO -0.39 0.00 -1.26 0.74 0.07 0.00 0.00 179.01 178.16 2bag h PHE 446 N 0.00 0.07 -0.21 2.06 -1.00 -1.24 -1.74 116.94 114.88 2bag h PHE 446 Ca 0.09 -0.05 -0.16 0.00 2.81 0.00 0.00 57.97 60.66 2bag h PHE 446 Cb 0.47 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 2bag h PHE 446 CO 0.00 1.05 -0.54 0.28 -1.61 0.00 0.00 178.31 177.50 2bag h VAL 447 N 0.01 1.31 -0.02 -0.55 2.07 0.03 -3.07 116.25 116.04 2bag h VAL 447 Ca -0.12 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.64 2bag h VAL 447 Cb 1.87 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 2bag h VAL 447 CO 0.12 0.56 0.00 0.49 0.02 0.00 0.00 177.57 178.76 2bag n PHE 448 N -3.97 0.01 -1.02 1.57 3.01 0.11 -4.64 117.46 112.53 2bag n PHE 448 Ca -0.03 -0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.42 2bag n PHE 448 Cb 0.60 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.07 2bag n PHE 448 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2bag n GLY 449 N 1.14 0.48 0.39 1.37 0.00 -0.99 -4.22 105.19 103.36 2bag n GLY 449 Ca 0.20 -0.47 0.17 0.00 0.00 0.00 0.00 46.02 45.91 2bag n GLY 449 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2bag h LEU 450 N 0.00 0.47 0.00 0.99 -0.00 -1.63 -0.26 115.31 114.88 2bag h LEU 450 Ca -0.01 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2bag h LEU 450 Cb 0.08 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 2bag h LEU 450 CO 0.02 0.21 0.00 -2.65 -0.00 0.00 0.00 178.44 176.02 2bag n PRO 451 N -4.53 0.03 0.00 1.13 -0.02 -1.26 -0.43 135.00 129.92 2bag n PRO 451 Ca 0.18 0.25 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 2bag n PRO 451 Cb 0.62 -1.50 0.37 0.00 -0.02 0.00 0.00 33.50 32.97 2bag n PRO 451 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2bag n LEU 452 N -1.27 0.70 -4.44 2.45 4.77 -0.11 -4.39 117.00 114.71 2bag n LEU 452 Ca 0.01 -0.09 -0.44 0.00 -0.03 0.00 0.00 56.01 55.46 2bag n LEU 452 Cb 0.02 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 40.85 2bag n LEU 452 CO 0.02 0.14 0.38 -0.69 -1.33 0.00 0.00 177.39 175.91 2bag s VAL 453 N -2.71 4.83 0.23 4.08 1.01 0.43 -4.96 120.40 123.30 2bag s VAL 453 Ca 0.19 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.51 2bag s VAL 453 Cb 0.19 -4.35 0.27 0.00 0.00 0.00 0.00 36.38 32.49 2bag s VAL 453 CO 0.58 -0.88 1.57 0.11 0.00 0.00 0.00 175.10 176.49 2bag h LYS 454 N 9.05 -0.04 0.00 2.72 1.79 -1.85 0.15 116.57 128.39 2bag h LYS 454 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 2bag h LYS 454 Cb 1.09 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 2bag h LYS 454 CO 0.99 -0.02 0.21 0.93 -1.08 0.00 0.00 179.45 180.48 2bag h GLU 455 N -0.04 0.00 0.00 3.15 3.07 -1.95 -1.48 114.58 117.33 2bag h GLU 455 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 2bag h GLU 455 Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2bag h GLU 455 CO -0.89 0.00 0.00 -0.07 -1.40 0.00 0.00 179.01 176.65 2bag h LEU 456 N 0.00 0.00 -0.70 1.33 3.38 -1.28 -3.48 115.31 114.56 2bag h LEU 456 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2bag h LEU 456 Cb 0.42 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.19 2bag h LEU 456 CO 0.00 0.00 -0.15 0.59 0.09 0.00 0.00 178.44 178.97 2bag n ASN 457 N -2.48 -2.85 -4.95 -0.43 3.02 -0.56 -4.99 115.26 102.02 2bag n ASN 457 Ca 0.04 -0.10 -0.23 0.00 -0.03 0.00 0.00 54.58 54.25 2bag n ASN 457 Cb 0.39 -1.52 -0.00 0.00 -0.61 0.00 0.00 39.78 38.03 2bag n ASN 457 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2bag s TYR 458 N -2.94 3.39 0.96 3.10 1.51 -1.26 -4.63 117.35 117.48 2bag s TYR 458 Ca 0.11 0.28 -0.14 0.00 -1.01 0.00 0.00 57.07 56.31 2bag s TYR 458 Cb -0.05 -2.04 0.17 0.00 -0.11 0.00 0.00 41.96 39.93 2bag s TYR 458 CO 0.14 -0.04 1.19 0.95 -1.11 0.00 0.00 175.55 176.67 2bag s THR 459 N -2.39 1.94 0.20 -0.71 -4.23 -1.26 -4.91 115.64 104.28 2bag s THR 459 Ca 0.43 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.91 2bag s THR 459 Cb -0.10 -2.81 -0.01 0.00 1.34 0.00 0.00 72.50 70.92 2bag s THR 459 CO 0.36 0.00 1.56 0.00 -0.54 0.00 0.00 174.62 176.01 2bag h ALA 460 N -1.65 0.79 0.00 3.99 0.00 -1.98 -2.57 119.26 117.84 2bag h ALA 460 Ca -0.47 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 53.92 2bag h ALA 460 Cb 1.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2bag h ALA 460 CO 0.52 0.65 -0.35 1.05 0.00 0.00 0.00 179.25 181.12 2bag h GLU 461 N 0.53 0.00 0.00 0.00 9.09 -1.98 -1.18 114.58 121.03 2bag h GLU 461 Ca 0.04 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.33 2bag h GLU 461 Cb 0.93 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.01 2bag h GLU 461 CO 0.08 0.35 -0.57 0.93 0.05 0.00 0.00 179.01 179.85 2bag h GLU 462 N 0.00 0.00 -0.13 1.06 5.08 -1.84 0.35 114.58 119.10 2bag h GLU 462 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 2bag h GLU 462 Cb 0.68 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.94 2bag h GLU 462 CO 0.05 0.57 -0.50 1.49 -1.00 0.00 0.00 179.01 179.62 2bag h GLU 463 N 0.00 0.56 -0.86 2.33 4.81 -1.04 -1.74 114.58 118.64 2bag h GLU 463 Ca -0.01 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2bag h GLU 463 Cb 1.10 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 2bag h GLU 463 CO 0.07 1.06 0.54 0.00 -0.73 0.00 0.00 179.01 179.95 2bag h ALA 464 N 0.51 1.33 -0.14 2.92 0.00 -0.95 0.15 119.26 123.07 2bag h ALA 464 Ca -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2bag h ALA 464 Cb 1.13 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2bag h ALA 464 CO 0.10 0.60 0.00 1.25 0.00 0.00 0.00 179.25 181.20 2bag h LEU 465 N 1.18 0.25 -0.81 0.00 5.85 -0.86 -1.18 115.31 119.74 2bag h LEU 465 Ca 0.31 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2bag h LEU 465 Cb -0.08 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2bag h LEU 465 CO -0.06 0.49 0.53 -1.28 -0.34 0.00 0.00 178.44 177.78 2bag h SER 466 N -0.00 0.91 -0.53 1.25 0.87 -0.90 0.63 113.55 115.77 2bag h SER 466 Ca 0.04 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 2bag h SER 466 Cb 0.36 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 2bag h SER 466 CO 0.01 0.65 0.23 0.03 -0.53 0.00 0.00 176.83 177.22 2bag h ARG 467 N 1.07 0.79 -0.47 2.24 3.08 -0.58 -0.39 114.38 120.12 2bag h ARG 467 Ca 0.30 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 2bag h ARG 467 Cb -0.09 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 2bag h ARG 467 CO -0.08 0.67 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.37 2bag h ARG 468 N 0.72 0.80 -0.15 0.04 2.43 -0.52 -1.52 114.38 116.18 2bag h ARG 468 Ca 0.18 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 2bag h ARG 468 Cb 0.16 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2bag h ARG 468 CO -0.02 0.83 -0.17 0.82 -1.51 0.00 0.00 179.97 179.92 2bag h ILE 469 N 0.74 1.35 -0.86 1.20 2.04 -0.62 -1.18 117.51 120.18 2bag h ILE 469 Ca 0.14 -1.35 0.05 0.00 1.00 0.00 0.00 64.86 64.71 2bag h ILE 469 Cb 0.50 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.41 2bag h ILE 469 CO 0.03 0.40 0.56 0.24 0.00 0.00 0.00 178.15 179.38 2bag h MET 470 N 0.01 0.97 0.00 2.37 2.86 -0.98 0.10 114.93 120.26 2bag h MET 470 Ca 0.02 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.46 2bag h MET 470 Cb 0.71 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 2bag h MET 470 CO 0.04 0.64 -0.69 1.25 1.06 0.00 0.00 176.91 179.22 2bag h HIS 471 N 1.00 0.00 0.17 -0.22 -0.00 -1.15 -0.49 115.15 114.46 2bag h HIS 471 Ca 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.72 2bag h HIS 471 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 2bag h HIS 471 CO -0.00 0.69 -0.08 1.88 -0.00 0.00 0.00 177.93 180.41 2bag h TYR 472 N 0.00 -0.22 -0.14 5.26 0.05 0.10 -0.89 116.97 121.13 2bag h TYR 472 Ca -0.01 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.80 2bag h TYR 472 Cb 1.23 0.07 -0.04 0.00 1.01 0.00 0.00 36.73 39.00 2bag h TYR 472 CO 0.00 0.15 -0.09 -1.49 -1.05 0.00 0.00 178.16 175.68 2bag h TRP 473 N -0.63 -0.22 -0.38 4.88 -0.00 -0.82 0.47 115.95 119.24 2bag h TRP 473 Ca -0.02 0.02 -0.15 0.00 -0.00 0.00 0.00 58.89 58.74 2bag h TRP 473 Cb 0.47 0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 29.74 2bag h TRP 473 CO 0.05 -0.14 -0.34 0.00 -0.00 0.00 0.00 178.44 178.01 2bag h ALA 474 N 1.03 0.68 -0.34 1.49 0.00 -1.14 0.73 119.26 121.70 2bag h ALA 474 Ca 0.09 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2bag h ALA 474 Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2bag h ALA 474 CO -0.20 0.67 -0.16 1.15 0.00 0.00 0.00 179.25 180.71 2bag h THR 475 N 0.73 1.25 -0.43 0.00 2.02 -1.01 -1.10 112.91 114.37 2bag h THR 475 Ca 0.07 -1.16 -0.13 0.00 0.77 0.00 0.00 66.41 65.96 2bag h THR 475 Cb 0.90 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 2bag h THR 475 CO 0.08 0.38 -0.22 0.15 0.37 0.00 0.00 175.52 176.29 2bag h PHE 476 N 0.55 1.05 -0.86 3.16 3.57 -0.63 -0.66 116.94 123.13 2bag h PHE 476 Ca 0.09 -0.26 -0.00 0.00 3.53 0.00 0.00 57.97 61.32 2bag h PHE 476 Cb 0.59 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 2bag h PHE 476 CO 0.02 1.06 0.53 0.00 -2.23 0.00 0.00 178.31 177.69 2bag h ALA 477 N 0.83 1.32 -0.08 2.41 0.00 -0.28 0.46 119.26 123.92 2bag h ALA 477 Ca 0.09 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2bag h ALA 477 Cb 0.79 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.24 2bag h ALA 477 CO 0.07 0.60 -0.59 0.87 0.00 0.00 0.00 179.25 180.19 2bag h LYS 478 N 1.18 0.55 0.00 0.00 1.57 -1.03 -3.41 116.57 115.43 2bag h LYS 478 Ca 0.31 -0.48 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 2bag h LYS 478 Cb -0.07 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 2bag h LYS 478 CO -0.06 1.11 -1.35 0.25 -0.57 0.00 0.00 179.45 178.82 2bag n THR 479 N -4.17 0.06 -0.26 -0.16 -2.24 -0.27 -5.01 114.28 102.24 2bag n THR 479 Ca -0.09 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2bag n THR 479 Cb 0.65 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2bag n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bag n GLY 480 N 2.15 0.87 3.08 3.38 0.00 0.16 -5.03 105.19 109.80 2bag n GLY 480 Ca -0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 2bag n GLY 480 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bag s ASN 481 N -2.03 -0.06 0.16 1.61 3.84 -1.25 -4.91 114.94 112.30 2bag s ASN 481 Ca 0.00 0.64 0.21 0.00 0.21 0.00 0.00 52.86 53.91 2bag s ASN 481 Cb 0.00 0.64 0.86 0.00 -0.55 0.00 0.00 41.25 42.20 2bag s ASN 481 CO 0.00 -0.20 1.64 -0.81 -2.79 0.00 0.00 177.10 174.94 2bag n PRO 482 N 4.75 0.13 -3.37 0.43 -0.04 -1.26 -2.97 135.00 132.67 2bag n PRO 482 Ca -0.16 0.34 -0.36 0.00 -0.04 0.00 0.00 63.50 63.28 2bag n PRO 482 Cb 0.52 -1.74 -0.06 0.00 -0.04 0.00 0.00 33.50 32.18 2bag n PRO 482 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2bag s ASN 483 N -3.82 6.87 0.01 3.54 0.01 -1.26 -4.46 114.94 115.83 2bag s ASN 483 Ca 0.06 1.09 -0.30 0.00 -0.71 0.00 0.00 52.86 52.99 2bag s ASN 483 Cb 0.10 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 2bag s ASN 483 CO 0.37 0.17 1.16 -1.61 -1.51 0.00 0.00 177.10 175.68 2bag s GLU 484 N -1.66 4.42 0.00 -0.60 0.41 -1.26 -4.97 118.70 115.04 2bag s GLU 484 Ca 0.34 1.67 0.00 0.00 -0.41 0.00 0.00 54.97 56.57 2bag s GLU 484 Cb -0.16 -3.45 0.00 0.00 -1.78 0.00 0.00 34.13 28.74 2bag s GLU 484 CO 0.18 -0.30 0.48 -2.30 -0.49 0.00 0.00 175.26 172.83 2bag n PRO 485 N 4.42 0.00 -0.80 0.39 -0.02 -1.26 -2.40 135.00 135.33 2bag n PRO 485 Ca 0.09 0.48 -0.02 0.00 -2.02 0.00 0.00 63.50 62.03 2bag n PRO 485 Cb 0.47 -0.77 0.26 0.00 -0.02 0.00 0.00 33.50 33.44 2bag n PRO 485 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2bag n HIS 486 N -1.94 1.68 -0.58 6.00 8.25 -1.26 -5.03 115.22 122.35 2bag n HIS 486 Ca 0.00 -1.25 -0.30 0.00 -0.26 0.00 0.00 57.72 55.91 2bag n HIS 486 Cb 0.00 -0.54 0.21 0.00 1.12 0.00 0.00 29.99 30.78 2bag n HIS 486 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2bag n SER 487 N -0.58 -1.45 -0.00 0.41 2.88 -1.01 -4.96 113.62 108.91 2bag n SER 487 Ca 0.34 0.01 0.08 0.00 -1.33 0.00 0.00 58.87 57.97 2bag n SER 487 Cb 1.17 -1.25 -0.11 0.00 -0.75 0.00 0.00 64.21 63.27 2bag n SER 487 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bag n GLN 488 N -4.05 1.18 -1.21 -1.46 1.13 -1.26 -5.00 117.38 106.71 2bag n GLN 488 Ca 0.05 -0.05 -0.32 0.00 -1.94 0.00 0.00 57.00 54.74 2bag n GLN 488 Cb 0.55 -1.33 0.11 0.00 0.11 0.00 0.00 30.24 29.68 2bag n GLN 488 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2bag s GLU 489 N -2.77 1.93 0.36 -1.09 0.41 -1.26 -4.94 118.70 111.34 2bag s GLU 489 Ca 0.03 1.47 -0.28 0.00 -0.41 0.00 0.00 54.97 55.77 2bag s GLU 489 Cb 0.12 -1.84 -0.11 0.00 -1.78 0.00 0.00 34.13 30.53 2bag s GLU 489 CO 0.70 -1.93 1.47 -1.54 -0.49 0.00 0.00 175.26 173.47 2bag s SER 490 N -2.69 6.42 -0.02 -0.19 1.04 -1.26 -4.96 113.70 112.04 2bag s SER 490 Ca 0.67 2.97 -0.24 0.00 0.48 0.00 0.00 55.95 59.83 2bag s SER 490 Cb -0.22 -2.66 -0.04 0.00 0.10 0.00 0.00 66.02 63.19 2bag s SER 490 CO 0.51 -0.82 0.73 -0.54 0.98 0.00 0.00 173.24 174.10 2bag s LYS 491 N -1.80 4.45 -0.50 4.02 -0.14 -1.26 -5.01 119.74 119.50 2bag s LYS 491 Ca 0.54 0.96 -0.29 0.00 -1.36 0.00 0.00 55.97 55.82 2bag s LYS 491 Cb -0.46 -3.41 0.03 0.00 -1.68 0.00 0.00 37.83 32.31 2bag s LYS 491 CO 0.59 0.16 1.16 -0.46 -0.76 0.00 0.00 175.35 176.04 2bag s TRP 492 N 0.43 2.74 0.58 3.18 -0.11 -1.26 -4.99 118.94 119.52 2bag s TRP 492 Ca 0.38 0.64 -0.17 0.00 1.22 0.00 0.00 56.10 58.16 2bag s TRP 492 Cb -0.19 -4.46 -0.04 0.00 -1.50 0.00 0.00 33.47 27.28 2bag s TRP 492 CO 0.20 -1.38 1.10 -1.25 -4.62 0.00 0.00 176.95 171.00 2bag s PRO 493 N 4.61 3.21 0.39 5.86 0.04 -1.26 -4.89 135.00 142.96 2bag s PRO 493 Ca 0.47 1.43 -0.26 0.00 0.04 0.00 0.00 61.00 62.69 2bag s PRO 493 Cb -0.07 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 2bag s PRO 493 CO 0.30 -0.93 1.21 -1.17 0.04 0.00 0.00 177.00 176.45 2bag s LEU 494 N -4.25 4.24 -0.11 -3.56 2.96 -1.26 -4.68 118.68 112.02 2bag s LEU 494 Ca 0.68 2.44 -0.22 0.00 -0.22 0.00 0.00 54.13 56.81 2bag s LEU 494 Cb -0.20 -3.94 -0.03 0.00 0.50 0.00 0.00 46.19 42.52 2bag s LEU 494 CO 0.33 -0.67 0.68 0.12 -1.32 0.00 0.00 176.35 175.48 2bag s PHE 495 N -1.34 3.51 0.21 5.38 2.19 0.13 -4.43 117.98 123.63 2bag s PHE 495 Ca 0.56 1.14 0.10 0.00 0.33 0.00 0.00 56.93 59.05 2bag s PHE 495 Cb -0.33 -2.80 -0.05 0.00 -1.31 0.00 0.00 43.02 38.53 2bag s PHE 495 CO 0.42 0.00 -0.19 0.95 1.83 0.00 0.00 175.22 178.24 2bag s THR 496 N 1.17 2.06 0.29 0.12 -4.23 -1.26 -4.34 115.64 109.45 2bag s THR 496 Ca 0.34 -2.14 0.03 0.00 -1.18 0.00 0.00 61.69 58.74 2bag s THR 496 Cb -0.17 -2.06 0.29 0.00 1.34 0.00 0.00 72.50 71.90 2bag s THR 496 CO 0.15 -0.38 1.83 0.74 -0.54 0.00 0.00 174.62 176.43 2bag h THR 497 N 2.81 0.88 0.15 3.99 2.02 -1.95 0.30 112.91 121.11 2bag h THR 497 Ca -0.41 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 2bag h THR 497 Cb 1.22 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2bag h THR 497 CO 0.56 0.17 -0.07 0.11 0.37 0.00 0.00 175.52 176.66 2bag h LYS 498 N 0.94 -0.19 0.00 6.66 1.57 -2.01 -3.39 116.57 120.15 2bag h LYS 498 Ca 0.50 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.24 2bag h LYS 498 Cb 0.57 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2bag h LYS 498 CO -0.27 -0.13 -0.50 0.93 -0.57 0.00 0.00 179.45 178.91 2bag h GLU 499 N -0.50 0.00 -6.64 3.15 4.39 -1.97 -3.48 114.58 109.53 2bag h GLU 499 Ca -0.02 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.15 2bag h GLU 499 Cb 0.15 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.68 2bag h GLU 499 CO 0.03 0.23 -0.88 1.04 -1.16 0.00 0.00 179.01 178.27 2bag n GLN 500 N -3.07 -2.96 -2.34 2.33 6.02 0.10 -4.47 117.38 113.00 2bag n GLN 500 Ca 0.01 0.36 -0.33 0.00 -0.01 0.00 0.00 57.00 57.03 2bag n GLN 500 Cb 0.65 -4.57 -0.02 0.00 1.02 0.00 0.00 30.24 27.31 2bag n GLN 500 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2bag s LYS 501 N -6.77 3.77 0.23 -1.09 1.02 -1.26 -2.18 119.74 113.46 2bag s LYS 501 Ca 0.21 1.08 -0.16 0.00 0.02 0.00 0.00 55.97 57.13 2bag s LYS 501 Cb -0.12 -2.10 0.01 0.00 -0.52 0.00 0.00 37.83 35.10 2bag s LYS 501 CO 0.91 -0.43 0.52 -0.59 -0.92 0.00 0.00 175.35 174.85 2bag s PHE 502 N -2.48 0.10 0.25 3.18 -0.12 -0.17 -4.28 117.98 114.46 2bag s PHE 502 Ca 0.61 -0.48 0.08 0.00 -0.05 0.00 0.00 56.93 57.10 2bag s PHE 502 Cb -0.12 0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.55 2bag s PHE 502 CO 0.30 -0.99 -0.12 0.96 -0.05 0.00 0.00 175.22 175.32 2bag s ILE 503 N -3.95 1.85 0.41 -4.49 -4.36 -0.87 -0.50 121.20 109.29 2bag s ILE 503 Ca 0.16 -2.21 -0.02 0.00 -0.26 0.00 0.00 60.65 58.31 2bag s ILE 503 Cb -0.01 -2.26 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 2bag s ILE 503 CO 0.04 -0.44 0.66 -1.81 0.24 0.00 0.00 174.94 173.63 2bag s ASP 504 N -3.41 6.26 -0.29 4.36 1.01 -1.11 -0.60 116.67 122.88 2bag s ASP 504 Ca 0.27 0.65 -0.00 0.00 0.71 0.00 0.00 52.55 54.18 2bag s ASP 504 Cb 0.00 -2.10 0.09 0.00 1.01 0.00 0.00 42.92 41.92 2bag s ASP 504 CO 0.10 -0.44 0.06 -0.22 0.21 0.00 0.00 175.17 174.89 2bag s LEU 505 N -4.52 2.45 0.00 1.23 2.96 0.40 -4.70 118.68 116.50 2bag s LEU 505 Ca 0.44 -1.53 -0.13 0.00 -0.22 0.00 0.00 54.13 52.68 2bag s LEU 505 Cb -0.10 -0.96 0.05 0.00 0.50 0.00 0.00 46.19 45.68 2bag s LEU 505 CO 0.40 -0.37 0.71 -0.46 -1.32 0.00 0.00 176.35 175.30 2bag n ASN 506 N 4.78 -1.91 0.00 3.68 0.23 -1.26 -2.71 115.26 118.07 2bag n ASN 506 Ca -0.04 -2.29 0.09 0.00 -0.53 0.00 0.00 54.58 51.82 2bag n ASN 506 Cb 0.43 3.17 0.46 0.00 -2.08 0.00 0.00 39.78 41.76 2bag n ASN 506 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2bag n THR 507 N -0.48 0.52 -2.53 5.53 -2.24 -1.26 -4.82 114.28 109.01 2bag n THR 507 Ca -0.07 0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.59 2bag n THR 507 Cb 0.51 -0.80 0.03 0.00 -2.10 0.00 0.00 70.33 67.97 2bag n THR 507 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2bag s GLU 508 N -2.75 2.82 0.23 -0.78 2.02 -1.26 -5.01 118.70 113.96 2bag s GLU 508 Ca 0.15 -0.23 -0.32 0.00 0.02 0.00 0.00 54.97 54.59 2bag s GLU 508 Cb 0.13 -2.35 -0.12 0.00 0.10 0.00 0.00 34.13 31.89 2bag s GLU 508 CO 0.32 -0.67 1.63 -2.30 0.02 0.00 0.00 175.26 174.26 2bag n PRO 509 N -2.49 2.60 -1.32 0.39 -0.02 -1.26 -4.85 135.00 128.05 2bag n PRO 509 Ca 0.05 0.93 -0.45 0.00 -2.02 0.00 0.00 63.50 62.01 2bag n PRO 509 Cb 0.58 -2.73 -0.02 0.00 -0.02 0.00 0.00 33.50 31.31 2bag n PRO 509 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2bag n MET 510 N 3.14 0.00 -3.70 -0.52 0.00 -1.26 -4.97 117.12 109.81 2bag n MET 510 Ca 0.13 0.00 -0.17 0.00 -0.00 0.00 0.00 57.70 57.67 2bag n MET 510 Cb 0.34 -0.96 -0.16 0.00 0.00 0.00 0.00 33.22 32.44 2bag n MET 510 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2bag s LYS 511 N -0.96 0.01 -0.02 2.12 2.47 -1.26 -5.06 119.74 117.04 2bag s LYS 511 Ca 0.60 0.42 -0.17 0.00 -1.56 0.00 0.00 55.97 55.27 2bag s LYS 511 Cb -0.82 -0.30 -0.05 0.00 -1.46 0.00 0.00 37.83 35.20 2bag s LYS 511 CO 0.56 -0.26 0.47 0.08 0.16 0.00 0.00 175.35 176.35 2bag s VAL 512 N 1.82 5.01 0.42 4.02 1.01 -1.26 -2.76 120.40 128.66 2bag s VAL 512 Ca -0.01 0.96 0.04 0.00 0.00 0.00 0.00 61.98 62.97 2bag s VAL 512 Cb -0.12 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2bag s VAL 512 CO -0.05 0.50 0.13 -1.00 0.00 0.00 0.00 175.10 174.67 2bag s HIS 513 N -0.56 1.79 0.04 5.22 0.09 0.34 -4.97 115.29 117.24 2bag s HIS 513 Ca 0.26 -1.28 0.01 0.00 -0.00 0.00 0.00 55.06 54.05 2bag s HIS 513 Cb -0.17 -1.18 -0.03 0.00 -0.00 0.00 0.00 32.58 31.21 2bag s HIS 513 CO 0.14 -0.28 -0.06 -0.65 -0.00 0.00 0.00 174.74 173.89 2bag s GLN 514 N -3.71 0.49 -0.91 1.40 -0.21 -1.26 -1.00 119.66 114.46 2bag s GLN 514 Ca 0.22 -0.80 -0.08 0.00 0.02 0.00 0.00 55.36 54.73 2bag s GLN 514 Cb 0.02 -0.11 -0.00 0.00 1.00 0.00 0.00 33.01 33.92 2bag s GLN 514 CO 0.14 -0.00 0.71 0.54 -2.12 0.00 0.00 175.29 174.56 2bag n ARG 515 N 1.26 -1.36 -1.53 2.91 1.74 -0.92 -4.79 116.66 113.95 2bag n ARG 515 Ca -0.21 0.88 -0.51 0.00 -0.77 0.00 0.00 57.85 57.23 2bag n ARG 515 Cb 0.56 -4.09 -0.07 0.00 -1.02 0.00 0.00 32.46 27.84 2bag n ARG 515 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2bag n LEU 516 N -2.93 2.41 -4.26 0.55 7.94 -1.26 -2.35 117.00 117.10 2bag n LEU 516 Ca -0.13 0.62 -0.36 0.00 -1.11 0.00 0.00 56.01 55.02 2bag n LEU 516 Cb 0.59 -1.26 -0.04 0.00 0.53 0.00 0.00 43.42 43.24 2bag n LEU 516 CO 0.62 -0.57 -0.09 0.54 -1.11 0.00 0.00 177.39 176.78 2bag n ARG 517 N 7.46 -2.62 -0.16 1.96 1.74 -1.26 -4.89 116.66 118.89 2bag n ARG 517 Ca 0.35 0.32 -0.03 0.00 -0.77 0.00 0.00 57.85 57.72 2bag n ARG 517 Cb 0.23 -4.90 0.06 0.00 -1.02 0.00 0.00 32.46 26.82 2bag n ARG 517 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 2bag h VAL 518 N -1.43 0.87 -0.19 1.55 -1.51 -1.83 -0.74 116.25 112.96 2bag h VAL 518 Ca -0.60 -0.14 0.06 0.00 -1.23 0.00 0.00 66.70 64.79 2bag h VAL 518 Cb 1.38 0.44 -0.07 0.00 -2.13 0.00 0.00 31.29 30.92 2bag h VAL 518 CO 0.79 0.07 -0.26 -0.61 -1.23 0.00 0.00 177.57 176.33 2bag h GLN 519 N 0.40 -0.28 -0.19 5.19 5.75 -1.90 0.22 115.11 124.30 2bag h GLN 519 Ca 0.23 0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.63 2bag h GLN 519 Cb 0.22 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 2bag h GLN 519 CO -0.21 -0.19 -0.40 0.52 -2.65 0.00 0.00 178.83 175.89 2bag h MET 520 N -0.30 0.45 0.00 1.69 2.86 -1.91 -3.05 114.93 114.67 2bag h MET 520 Ca 0.12 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 2bag h MET 520 Cb 0.48 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2bag h MET 520 CO -0.36 0.78 -0.47 0.00 1.06 0.00 0.00 176.91 177.92 2bag h VAL 522 N 0.00 1.25 0.09 0.00 2.07 -0.51 0.67 116.25 119.83 2bag h VAL 522 Ca -0.00 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 2bag h VAL 522 Cb 1.21 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2bag h VAL 522 CO 0.06 0.38 -0.05 0.15 0.02 0.00 0.00 177.57 178.14 2bag h PHE 523 N 0.61 -0.12 -0.02 1.57 3.57 -1.35 0.04 116.94 121.24 2bag h PHE 523 Ca 0.10 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.45 2bag h PHE 523 Cb 0.57 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 2bag h PHE 523 CO 0.03 0.15 -0.69 -1.49 -2.23 0.00 0.00 178.31 174.08 2bag h TRP 524 N -0.38 0.12 0.00 0.41 4.06 -1.08 0.26 115.95 119.34 2bag h TRP 524 Ca -0.01 -0.05 -0.18 0.00 2.06 0.00 0.00 58.89 60.71 2bag h TRP 524 Cb 0.32 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.43 2bag h TRP 524 CO 0.01 0.75 -1.75 0.09 -3.56 0.00 0.00 178.44 173.98 2bag n ASN 525 N -3.76 0.49 0.02 -3.49 3.02 0.23 -4.46 115.26 107.32 2bag n ASN 525 Ca -0.02 0.21 -0.02 0.00 -0.03 0.00 0.00 54.58 54.73 2bag n ASN 525 Cb 0.68 0.73 -0.01 0.00 -0.61 0.00 0.00 39.78 40.57 2bag n ASN 525 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bag n GLN 526 N -2.72 0.11 0.33 3.52 6.02 -0.07 -4.79 117.38 119.78 2bag n GLN 526 Ca -0.14 0.04 -0.13 0.00 -0.01 0.00 0.00 57.00 56.76 2bag n GLN 526 Cb 0.85 -0.70 -0.06 0.00 1.02 0.00 0.00 30.24 31.35 2bag n GLN 526 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 2bag h PHE 527 N -0.21 -0.81 -0.57 1.08 3.57 -1.31 -2.92 116.94 115.77 2bag h PHE 527 Ca -0.00 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.57 2bag h PHE 527 Cb 0.24 0.27 -0.07 0.00 2.79 0.00 0.00 35.95 39.17 2bag h PHE 527 CO -0.09 -0.50 0.17 1.25 -2.23 0.00 0.00 178.31 176.91 2bag h LEU 528 N -1.07 0.13 -0.72 0.59 5.85 -1.21 0.15 115.31 119.04 2bag h LEU 528 Ca -0.09 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2bag h LEU 528 Cb 0.67 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 2bag h LEU 528 CO 0.15 0.08 0.46 -0.65 -0.34 0.00 0.00 178.44 178.14 2bag h PRO 529 N 0.33 0.90 -0.68 5.25 0.11 -1.78 0.28 132.00 136.42 2bag h PRO 529 Ca 0.29 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 2bag h PRO 529 Cb 0.37 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.25 2bag h PRO 529 CO -0.32 0.60 0.37 -0.22 -0.21 0.00 0.00 178.00 178.22 2bag h LYS 530 N 0.93 0.94 -0.29 1.05 3.64 -1.12 -0.24 116.57 121.48 2bag h LYS 530 Ca 0.28 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2bag h LYS 530 Cb -0.05 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 2bag h LYS 530 CO -0.08 0.71 0.14 1.25 -2.27 0.00 0.00 179.45 179.19 2bag h LEU 531 N 0.93 0.38 -1.05 5.20 5.85 0.34 -1.22 115.31 125.73 2bag h LEU 531 Ca 0.24 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 2bag h LEU 531 Cb 0.04 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2bag h LEU 531 CO -0.04 0.39 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.28 2bag h LEU 532 N 0.33 0.54 -0.41 2.25 3.38 -0.18 -0.64 115.31 120.58 2bag h LEU 532 Ca 0.10 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 2bag h LEU 532 Cb 0.12 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2bag h LEU 532 CO -0.01 0.68 -0.52 -1.13 0.09 0.00 0.00 178.44 177.55 2bag h ASN 533 N 0.52 0.84 0.70 -0.43 -1.24 -0.85 -3.18 115.58 111.92 2bag h ASN 533 Ca 0.10 -0.43 -0.17 0.00 0.71 0.00 0.00 56.30 56.51 2bag h ASN 533 Cb 0.49 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 2bag h ASN 533 CO 0.03 1.20 -0.78 0.00 -1.29 0.00 0.00 177.43 176.59 2bag h ALA 534 N 0.82 0.70 -0.01 1.57 0.00 -1.03 -3.51 119.26 117.81 2bag h ALA 534 Ca 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2bag h ALA 534 Cb 1.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2bag h ALA 534 CO 0.11 0.93 0.00 0.25 0.00 0.00 0.00 179.25 180.54