#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3frp s LEU 2 N 0.00 1.55 0.02 0.00 2.96 -0.50 -4.96 118.68 117.75 3frp s LEU 2 Ca 0.00 -0.20 0.09 0.00 -0.22 0.00 0.00 54.13 53.80 3frp s LEU 2 Cb 0.00 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 46.07 3frp s LEU 2 CO 0.00 0.01 -0.26 -0.31 -1.32 0.00 0.00 176.35 174.46 3frp s TYR 3 N 0.64 2.31 0.03 5.38 2.02 -1.26 -0.77 117.35 125.71 3frp s TYR 3 Ca -0.11 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.21 3frp s TYR 3 Cb -0.13 -1.42 -0.02 0.00 -0.40 0.00 0.00 41.96 39.98 3frp s TYR 3 CO 0.02 0.06 -0.11 0.95 -1.57 0.00 0.00 175.55 174.89 3frp s THR 4 N -0.73 0.88 -0.09 -0.71 -4.23 -0.99 -1.32 115.64 108.46 3frp s THR 4 Ca 0.11 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 3frp s THR 4 Cb -0.10 -0.82 0.02 0.00 1.34 0.00 0.00 72.50 72.94 3frp s THR 4 CO 0.01 -0.08 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.73 3frp s LEU 5 N -1.12 1.17 -0.10 4.79 2.96 -0.31 -1.85 118.68 124.22 3frp s LEU 5 Ca -0.01 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3frp s LEU 5 Cb -0.08 -0.69 -0.00 0.00 0.50 0.00 0.00 46.19 45.92 3frp s LEU 5 CO 0.01 -0.10 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.08 3frp s ILE 6 N 1.45 2.16 0.16 6.68 1.01 0.12 -2.29 121.20 130.49 3frp s ILE 6 Ca -0.01 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.69 3frp s ILE 6 Cb -0.13 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 3frp s ILE 6 CO -0.04 0.56 -0.07 0.42 0.00 0.00 0.00 174.94 175.81 3frp s THR 7 N 0.30 1.03 0.66 2.92 -4.23 -0.83 -0.31 115.64 115.17 3frp s THR 7 Ca -0.17 -2.03 -0.17 0.00 -1.18 0.00 0.00 61.69 58.14 3frp s THR 7 Cb -0.17 -1.95 -0.01 0.00 1.34 0.00 0.00 72.50 71.71 3frp s THR 7 CO 0.08 -0.66 1.14 -0.81 -0.54 0.00 0.00 174.62 173.83 3frp n PRO 8 N -0.22 0.88 -0.01 3.99 -0.04 -1.26 0.36 135.00 138.69 3frp n PRO 8 Ca -0.09 0.35 -0.01 0.00 -0.04 0.00 0.00 63.50 63.71 3frp n PRO 8 Cb 0.61 -2.37 0.27 0.00 -0.04 0.00 0.00 33.50 31.97 3frp n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3frp h ALA 9 N 0.27 1.32 -4.04 0.55 0.00 -0.90 -3.38 119.26 113.07 3frp h ALA 9 Ca -0.49 -0.22 -0.62 0.00 0.00 0.00 0.00 54.91 53.58 3frp h ALA 9 Cb 1.34 -0.15 -0.25 0.00 0.00 0.00 0.00 17.79 18.73 3frp h ALA 9 CO 0.51 0.47 -0.85 0.08 0.00 0.00 0.00 179.25 179.45 3frp s VAL 10 N -4.94 1.85 -0.05 0.00 1.01 -1.26 -4.08 120.40 112.93 3frp s VAL 10 Ca -0.08 -1.36 0.06 0.00 0.00 0.00 0.00 61.98 60.60 3frp s VAL 10 Cb 0.15 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 3frp s VAL 10 CO 0.77 0.19 -0.23 -0.76 0.00 0.00 0.00 175.10 175.08 3frp s LEU 11 N -1.40 2.22 -0.03 3.92 1.43 -0.04 -4.97 118.68 119.81 3frp s LEU 11 Ca 0.09 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3frp s LEU 11 Cb -0.09 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 3frp s LEU 11 CO 0.03 0.28 0.05 -0.13 0.23 0.00 0.00 176.35 176.81 3frp s ARG 12 N -0.37 3.02 0.56 1.70 0.52 -1.26 0.34 118.95 123.45 3frp s ARG 12 Ca 0.03 -0.46 -0.20 0.00 -0.52 0.00 0.00 55.73 54.58 3frp s ARG 12 Cb -0.12 -2.83 -0.05 0.00 0.52 0.00 0.00 34.95 32.47 3frp s ARG 12 CO 0.02 0.67 1.20 0.95 0.02 0.00 0.00 175.30 178.15 3frp s THR 13 N -1.08 2.75 -1.88 0.02 -4.23 -0.78 -4.11 115.64 106.33 3frp s THR 13 Ca 0.19 0.48 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 3frp s THR 13 Cb -0.12 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.52 3frp s THR 13 CO 0.09 -0.08 0.00 0.47 -0.54 0.00 0.00 174.62 174.56 3frp n ASP 14 N -1.37 -5.48 -3.89 3.99 10.43 0.90 -4.34 116.55 116.79 3frp n ASP 14 Ca 0.12 0.22 -0.11 0.00 2.57 0.00 0.00 54.79 57.59 3frp n ASP 14 Cb 0.49 -4.70 -0.12 0.00 1.84 0.00 0.00 41.12 38.64 3frp n ASP 14 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3frp s THR 15 N -2.86 0.05 -0.06 -3.53 -4.23 -1.26 -5.00 115.64 98.75 3frp s THR 15 Ca 0.00 -0.38 -0.30 0.00 -1.18 0.00 0.00 61.69 59.83 3frp s THR 15 Cb 0.00 -0.20 -0.09 0.00 1.34 0.00 0.00 72.50 73.55 3frp s THR 15 CO 0.00 -0.21 2.03 -0.62 -0.54 0.00 0.00 174.62 175.29 3frp n GLU 16 N 2.36 2.47 -4.03 3.99 -0.58 -1.26 -4.52 120.64 119.07 3frp n GLU 16 Ca -0.17 0.85 -0.33 0.00 -0.42 0.00 0.00 57.16 57.09 3frp n GLU 16 Cb 0.58 -2.99 -0.15 0.00 -0.57 0.00 0.00 31.44 28.31 3frp n GLU 16 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3frp s GLU 17 N 4.96 2.37 0.41 3.49 0.41 -0.25 -4.94 118.70 125.15 3frp s GLU 17 Ca 0.93 -1.27 -0.23 0.00 -0.41 0.00 0.00 54.97 54.00 3frp s GLU 17 Cb -0.47 -2.95 -0.10 0.00 -1.78 0.00 0.00 34.13 28.84 3frp s GLU 17 CO 0.42 -0.55 0.99 -1.14 -0.49 0.00 0.00 175.26 174.49 3frp s GLN 18 N 1.16 4.21 0.08 1.61 0.74 -1.26 -1.08 119.66 125.13 3frp s GLN 18 Ca -0.07 1.30 -0.06 0.00 0.05 0.00 0.00 55.36 56.58 3frp s GLN 18 Cb -0.19 -2.38 -0.02 0.00 1.10 0.00 0.00 33.01 31.52 3frp s GLN 18 CO -0.05 -0.06 0.11 0.96 -0.55 0.00 0.00 175.29 175.70 3frp s ILE 19 N -1.91 0.17 -0.10 -2.34 -4.36 -0.74 -4.52 121.20 107.40 3frp s ILE 19 Ca 0.60 -1.43 0.02 0.00 -0.26 0.00 0.00 60.65 59.58 3frp s ILE 19 Cb -0.15 -1.43 0.01 0.00 1.25 0.00 0.00 42.46 42.14 3frp s ILE 19 CO 0.20 -0.76 -0.16 -0.22 0.24 0.00 0.00 174.94 174.23 3frp s LEU 20 N -2.89 1.78 -0.10 0.37 2.96 0.57 -3.59 118.68 117.79 3frp s LEU 20 Ca 0.06 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 3frp s LEU 20 Cb 0.06 -1.12 0.02 0.00 0.50 0.00 0.00 46.19 45.66 3frp s LEU 20 CO -0.10 0.04 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.20 3frp s VAL 21 N 0.84 1.00 0.04 1.68 1.01 -0.82 0.16 120.40 124.32 3frp s VAL 21 Ca -0.09 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.64 3frp s VAL 21 Cb -0.15 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3frp s VAL 21 CO 0.01 0.36 -0.15 -0.70 0.00 0.00 0.00 175.10 174.61 3frp s GLU 22 N 1.52 0.99 -0.22 2.72 2.12 -0.77 -1.46 118.70 123.58 3frp s GLU 22 Ca 0.01 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 54.53 3frp s GLU 22 Cb -0.13 -1.02 0.06 0.00 0.26 0.00 0.00 34.13 33.30 3frp s GLU 22 CO -0.06 0.25 -0.06 0.00 -0.54 0.00 0.00 175.26 174.85 3frp s ALA 23 N -0.90 1.91 -0.21 6.30 0.00 -0.82 -2.34 121.76 125.71 3frp s ALA 23 Ca 0.02 -1.28 -0.08 0.00 0.00 0.00 0.00 51.96 50.62 3frp s ALA 23 Cb -0.08 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 3frp s ALA 23 CO 0.02 -1.11 0.08 -1.01 0.00 0.00 0.00 175.76 173.73 3frp s HIS 24 N 1.42 3.20 -0.51 0.00 3.76 0.05 -4.51 115.29 118.70 3frp s HIS 24 Ca -0.05 -0.06 -0.00 0.00 -0.15 0.00 0.00 55.06 54.81 3frp s HIS 24 Cb -0.18 -2.16 -0.00 0.00 1.11 0.00 0.00 32.58 31.35 3frp s HIS 24 CO -0.07 -0.02 0.42 0.41 -0.85 0.00 0.00 174.74 174.63 3frp n GLY 25 N 4.09 0.10 3.13 -2.22 0.00 -1.26 -1.41 105.19 107.63 3frp n GLY 25 Ca -0.16 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 45.66 3frp n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3frp s ASP 26 N -3.57 -1.34 -0.60 1.61 2.15 -1.26 -3.65 116.67 110.02 3frp s ASP 26 Ca 0.00 0.61 -0.00 0.00 0.43 0.00 0.00 52.55 53.59 3frp s ASP 26 Cb -0.00 2.05 0.49 0.00 -0.30 0.00 0.00 42.92 45.16 3frp s ASP 26 CO 0.31 -0.28 1.95 -0.24 -0.17 0.00 0.00 175.17 176.74 3frp n SER 27 N 5.42 6.74 -4.03 -0.34 2.88 -1.26 -4.96 113.62 118.08 3frp n SER 27 Ca 0.01 -3.76 -0.26 0.00 -1.33 0.00 0.00 58.87 53.53 3frp n SER 27 Cb 0.52 -0.90 -0.17 0.00 -0.75 0.00 0.00 64.21 62.91 3frp n SER 27 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3frp s THR 28 N -4.52 1.23 0.48 2.46 2.01 -1.26 -4.90 115.64 111.13 3frp s THR 28 Ca 0.62 -0.52 -0.22 0.00 0.31 0.00 0.00 61.69 61.88 3frp s THR 28 Cb 0.50 -1.12 -0.07 0.00 0.01 0.00 0.00 72.50 71.82 3frp s THR 28 CO 0.01 0.38 1.21 -2.84 -0.69 0.00 0.00 174.62 172.69 3frp s PRO 29 N 0.76 3.59 -0.03 4.92 0.02 -1.26 -4.87 135.00 138.12 3frp s PRO 29 Ca -0.13 1.88 -0.29 0.00 0.02 0.00 0.00 61.00 62.48 3frp s PRO 29 Cb -0.16 -2.35 0.07 0.00 0.02 0.00 0.00 34.50 32.08 3frp s PRO 29 CO 0.03 -0.72 0.65 -1.59 -0.33 0.00 0.00 177.00 175.04 3frp s LYS 30 N -2.77 1.05 0.05 5.54 -2.85 -0.55 -5.03 119.74 115.17 3frp s LYS 30 Ca 0.66 0.17 -0.14 0.00 -1.00 0.00 0.00 55.97 55.66 3frp s LYS 30 Cb -0.31 0.49 -0.06 0.00 -2.06 0.00 0.00 37.83 35.89 3frp s LYS 30 CO 0.37 -0.34 0.44 -0.65 0.10 0.00 0.00 175.35 175.27 3frp s GLN 31 N -1.42 3.92 -0.10 1.78 -0.21 -1.26 -1.14 119.66 121.22 3frp s GLN 31 Ca -0.10 0.40 0.04 0.00 0.02 0.00 0.00 55.36 55.72 3frp s GLN 31 Cb -0.00 -3.13 -0.00 0.00 1.00 0.00 0.00 33.01 30.87 3frp s GLN 31 CO 0.08 0.63 -0.22 -0.51 -2.12 0.00 0.00 175.29 173.14 3frp s LEU 32 N -1.39 2.21 -0.18 2.90 1.43 -0.34 -4.50 118.68 118.81 3frp s LEU 32 Ca 0.28 -0.51 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 3frp s LEU 32 Cb -0.16 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 3frp s LEU 32 CO 0.16 0.17 0.11 -1.81 0.23 0.00 0.00 176.35 175.21 3frp s ASP 33 N 0.27 6.06 -0.03 2.29 1.01 0.33 -1.73 116.67 124.86 3frp s ASP 33 Ca -0.15 0.23 0.01 0.00 0.71 0.00 0.00 52.55 53.35 3frp s ASP 33 Cb -0.17 -2.03 0.02 0.00 1.01 0.00 0.00 42.92 41.74 3frp s ASP 33 CO 0.08 0.23 -0.05 0.27 0.21 0.00 0.00 175.17 175.91 3frp s ILE 34 N 0.07 0.51 0.10 0.77 -4.36 -0.83 -0.24 121.20 117.23 3frp s ILE 34 Ca 0.08 -0.15 0.05 0.00 -0.26 0.00 0.00 60.65 60.37 3frp s ILE 34 Cb -0.12 -0.52 -0.04 0.00 1.25 0.00 0.00 42.46 43.04 3frp s ILE 34 CO -0.00 0.20 -0.12 -0.36 0.24 0.00 0.00 174.94 174.90 3frp s PHE 35 N 0.67 1.21 -0.04 1.37 0.08 0.32 -2.66 117.98 118.93 3frp s PHE 35 Ca -0.09 -0.59 0.03 0.00 0.12 0.00 0.00 56.93 56.40 3frp s PHE 35 Cb -0.12 -0.65 0.00 0.00 -0.57 0.00 0.00 43.02 41.68 3frp s PHE 35 CO 0.00 0.07 -0.12 0.08 -0.10 0.00 0.00 175.22 175.14 3frp s VAL 36 N -2.16 1.08 0.15 -0.44 1.01 -0.91 -0.39 120.40 118.74 3frp s VAL 36 Ca 0.06 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.57 3frp s VAL 36 Cb -0.05 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 3frp s VAL 36 CO 0.02 0.33 -0.08 -1.00 0.00 0.00 0.00 175.10 174.36 3frp s HIS 37 N 0.27 1.27 0.61 5.22 3.76 -0.76 -1.14 115.29 124.53 3frp s HIS 37 Ca -0.06 -0.80 -0.17 0.00 -0.15 0.00 0.00 55.06 53.88 3frp s HIS 37 Cb -0.11 -0.67 -0.02 0.00 1.11 0.00 0.00 32.58 32.89 3frp s HIS 37 CO 0.02 0.04 1.12 0.16 -0.85 0.00 0.00 174.74 175.22 3frp s ASP 38 N -3.18 5.33 -0.01 1.40 1.47 -1.25 -1.61 116.67 118.83 3frp s ASP 38 Ca 0.18 2.08 0.00 0.00 1.18 0.00 0.00 52.55 55.99 3frp s ASP 38 Cb 0.03 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 40.05 3frp s ASP 38 CO 0.01 -1.48 -0.01 0.12 0.68 0.00 0.00 175.17 174.50 3frp s PHE 39 N -2.11 0.12 -0.18 2.11 5.36 -1.11 -1.33 117.98 120.84 3frp s PHE 39 Ca 0.69 -0.00 0.22 0.00 -0.96 0.00 0.00 56.93 56.88 3frp s PHE 39 Cb -0.22 -0.11 0.50 0.00 -0.34 0.00 0.00 43.02 42.84 3frp s PHE 39 CO 0.36 -0.02 1.65 -1.00 -1.46 0.00 0.00 175.22 174.75 3frp h PRO 40 N 6.33 0.00 0.00 10.12 0.13 -1.97 -3.37 132.00 143.24 3frp h PRO 40 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 3frp h PRO 40 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3frp h PRO 40 CO 0.50 0.19 -0.05 0.00 -0.23 0.00 0.00 178.00 178.41 3frp h ARG 41 N 0.00 0.00 -4.25 0.86 2.47 -1.99 -3.46 114.38 108.01 3frp h ARG 41 Ca -0.00 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.47 3frp h ARG 41 Cb 1.01 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.30 3frp h ARG 41 CO 0.02 0.05 -0.34 1.63 0.56 0.00 0.00 179.97 181.90 3frp n LYS 42 N -4.30 -2.56 0.05 0.04 5.02 -0.44 -4.90 118.16 111.06 3frp n LYS 42 Ca -0.03 0.53 -0.02 0.00 -2.02 0.00 0.00 58.31 56.77 3frp n LYS 42 Cb 0.14 -5.14 -0.01 0.00 -0.02 0.00 0.00 35.03 29.99 3frp n LYS 42 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3frp h GLN 43 N -0.21 -0.13 -6.05 1.97 1.08 -1.90 -3.46 115.11 106.41 3frp h GLN 43 Ca -0.30 0.01 -0.65 0.00 -1.45 0.00 0.00 58.65 56.26 3frp h GLN 43 Cb 1.21 0.03 -0.10 0.00 -0.05 0.00 0.00 27.48 28.58 3frp h GLN 43 CO 0.35 -0.09 -0.58 0.21 -0.95 0.00 0.00 178.83 177.77 3frp s LYS 44 N -3.32 3.02 -0.28 1.46 2.36 -1.26 -5.04 119.74 116.67 3frp s LYS 44 Ca -0.02 -0.54 -0.29 0.00 -2.55 0.00 0.00 55.97 52.56 3frp s LYS 44 Cb 0.00 -2.82 0.01 0.00 -1.05 0.00 0.00 37.83 33.97 3frp s LYS 44 CO 0.07 0.62 1.16 0.99 1.55 0.00 0.00 175.35 179.74 3frp s THR 45 N -1.25 4.39 -0.06 3.43 2.01 -1.26 -3.91 115.64 118.99 3frp s THR 45 Ca 0.25 1.62 0.02 0.00 0.31 0.00 0.00 61.69 63.89 3frp s THR 45 Cb -0.12 -4.28 -0.25 0.00 0.01 0.00 0.00 72.50 67.86 3frp s THR 45 CO 0.16 -0.40 0.61 -0.07 -0.69 0.00 0.00 174.62 174.23 3frp h LEU 46 N 10.19 0.23 -7.13 4.42 3.38 -1.50 -3.48 115.31 121.42 3frp h LEU 46 Ca -0.23 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.22 3frp h LEU 46 Cb 1.08 -0.08 -0.17 0.00 0.09 0.00 0.00 40.66 41.58 3frp h LEU 46 CO 1.02 1.41 0.09 0.12 0.09 0.00 0.00 178.44 181.17 3frp s PHE 47 N -2.59 -0.50 0.06 1.13 5.36 -1.18 -4.60 117.98 115.66 3frp s PHE 47 Ca -0.12 0.68 -0.18 0.00 -0.96 0.00 0.00 56.93 56.35 3frp s PHE 47 Cb 0.07 0.37 0.04 0.00 -0.34 0.00 0.00 43.02 43.16 3frp s PHE 47 CO 0.81 -0.63 0.42 1.14 -1.46 0.00 0.00 175.22 175.50 3frp s GLN 48 N -2.03 0.96 -0.19 10.12 -2.07 -1.26 -2.14 119.66 123.04 3frp s GLN 48 Ca -0.07 -0.41 -0.31 0.00 -1.82 0.00 0.00 55.36 52.74 3frp s GLN 48 Cb -0.01 0.43 0.15 0.00 -1.09 0.00 0.00 33.01 32.49 3frp s GLN 48 CO 0.02 -0.34 1.15 -0.08 -1.32 0.00 0.00 175.29 174.72 3frp s THR 49 N -2.72 0.00 -0.05 3.63 -1.32 -1.09 -5.03 115.64 109.06 3frp s THR 49 Ca -0.04 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.48 3frp s THR 49 Cb -0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.96 3frp s THR 49 CO -0.04 0.00 -0.16 -0.60 -2.21 0.00 0.00 174.62 171.60 3frp s ARG 50 N -1.67 2.54 0.06 7.08 3.52 -1.26 -1.96 118.95 127.27 3frp s ARG 50 Ca 0.05 -0.74 0.04 0.00 -0.13 0.00 0.00 55.73 54.95 3frp s ARG 50 Cb -0.01 -2.34 -0.03 0.00 -1.56 0.00 0.00 34.95 31.01 3frp s ARG 50 CO -0.04 0.56 -0.11 0.08 -0.81 0.00 0.00 175.30 174.97 3frp s VAL 51 N -0.57 0.88 -0.06 7.11 1.01 -0.70 -4.97 120.40 123.10 3frp s VAL 51 Ca 0.08 -1.25 -0.23 0.00 0.00 0.00 0.00 61.98 60.58 3frp s VAL 51 Cb -0.11 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3frp s VAL 51 CO 0.01 -0.31 0.70 -0.62 0.00 0.00 0.00 175.10 174.88 3frp s ASP 52 N -1.74 7.00 -0.16 3.32 -1.08 -1.26 -1.20 116.67 121.55 3frp s ASP 52 Ca -0.04 1.20 0.01 0.00 -0.52 0.00 0.00 52.55 53.20 3frp s ASP 52 Cb -0.09 -2.41 0.02 0.00 -1.46 0.00 0.00 42.92 38.97 3frp s ASP 52 CO 0.01 -0.10 -0.20 -0.32 0.52 0.00 0.00 175.17 175.08 3frp s MET 53 N 0.73 2.88 0.14 4.34 -2.45 -0.29 -4.95 119.30 119.70 3frp s MET 53 Ca 0.37 -0.79 -0.04 0.00 -1.25 0.00 0.00 55.69 53.98 3frp s MET 53 Cb -0.18 -2.44 -0.03 0.00 1.25 0.00 0.00 34.83 33.43 3frp s MET 53 CO 0.18 -0.14 0.13 0.54 1.05 0.00 0.00 175.02 176.78 3frp s ASN 54 N 1.14 0.22 0.33 1.11 2.20 -1.26 -1.48 114.94 117.20 3frp s ASN 54 Ca 0.01 -1.10 0.23 0.00 -0.94 0.00 0.00 52.86 51.06 3frp s ASN 54 Cb -0.14 0.34 1.21 0.00 -2.00 0.00 0.00 41.25 40.66 3frp s ASN 54 CO -0.09 -0.78 1.71 1.55 -2.94 0.00 0.00 177.10 176.56 3frp h PRO 55 N 2.76 0.00 -0.36 3.55 0.13 -1.90 -0.34 132.00 135.84 3frp h PRO 55 Ca -0.34 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.75 3frp h PRO 55 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3frp h PRO 55 CO 0.56 0.00 0.06 0.00 -0.23 0.00 0.00 178.00 178.39 3frp h ALA 56 N 2.05 0.48 -0.63 -0.56 0.00 -2.00 -3.00 119.26 115.59 3frp h ALA 56 Ca 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.48 3frp h ALA 56 Cb 0.07 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 17.59 3frp h ALA 56 CO 0.00 0.18 0.28 0.41 0.00 0.00 0.00 179.25 180.12 3frp n GLY 57 N -0.50 3.36 3.71 0.00 0.00 -1.01 -4.91 105.19 105.84 3frp n GLY 57 Ca -0.01 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 3frp n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3frp n GLY 58 N -0.21 -0.49 4.15 -0.02 0.00 -1.13 -3.05 105.19 104.44 3frp n GLY 58 Ca 0.35 0.21 -0.34 0.00 0.00 0.00 0.00 46.02 46.24 3frp n GLY 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3frp n MET 59 N -4.75 -3.53 -4.42 1.61 0.00 -0.17 -4.87 117.12 100.99 3frp n MET 59 Ca -0.03 0.41 -0.20 0.00 0.00 0.00 0.00 57.70 57.87 3frp n MET 59 Cb 0.57 -5.10 -0.15 0.00 0.00 0.00 0.00 33.22 28.54 3frp n MET 59 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 3frp s LEU 60 N -7.24 1.85 -0.03 4.03 2.96 -1.17 -1.94 118.68 117.14 3frp s LEU 60 Ca 0.65 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 3frp s LEU 60 Cb -0.35 -0.56 0.02 0.00 0.50 0.00 0.00 46.19 45.79 3frp s LEU 60 CO 0.91 0.08 -0.04 -0.69 -1.32 0.00 0.00 176.35 175.29 3frp s VAL 61 N 0.08 0.48 -0.55 1.68 1.01 -0.54 -4.84 120.40 117.73 3frp s VAL 61 Ca -0.01 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.87 3frp s VAL 61 Cb -0.08 -0.49 0.18 0.00 0.00 0.00 0.00 36.38 36.00 3frp s VAL 61 CO 0.00 0.19 0.46 0.35 0.00 0.00 0.00 175.10 176.10 3frp n THR 62 N 3.72 0.28 -2.53 3.92 -2.24 -1.26 -1.94 114.28 114.23 3frp n THR 62 Ca -0.22 -4.21 -0.23 0.00 -2.27 0.00 0.00 64.05 57.12 3frp n THR 62 Cb 0.53 -1.93 0.07 0.00 -2.10 0.00 0.00 70.33 66.89 3frp n THR 62 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3frp s PRO 63 N -0.89 2.13 0.07 -0.78 0.05 -1.24 -4.85 135.00 129.50 3frp s PRO 63 Ca 0.31 -0.81 0.07 0.00 0.05 0.00 0.00 61.00 60.62 3frp s PRO 63 Cb 0.03 -2.37 -0.03 0.00 0.05 0.00 0.00 34.50 32.18 3frp s PRO 63 CO -0.16 -1.10 -0.20 0.95 0.05 0.00 0.00 177.00 176.54 3frp s THR 64 N -3.00 1.60 0.11 1.26 -4.23 -1.26 -1.80 115.64 108.32 3frp s THR 64 Ca 0.61 -1.36 0.08 0.00 -1.18 0.00 0.00 61.69 59.85 3frp s THR 64 Cb -0.08 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.29 3frp s THR 64 CO 0.42 0.03 -0.20 0.27 -0.54 0.00 0.00 174.62 174.60 3frp s ILE 65 N -1.01 1.67 -0.06 2.99 -4.36 -0.24 -4.90 121.20 115.30 3frp s ILE 65 Ca 0.06 -1.60 0.00 0.00 -0.26 0.00 0.00 60.65 58.85 3frp s ILE 65 Cb -0.09 -1.57 0.02 0.00 1.25 0.00 0.00 42.46 42.07 3frp s ILE 65 CO 0.03 -0.13 -0.03 -0.70 0.24 0.00 0.00 174.94 174.35 3frp s GLU 66 N -2.09 0.80 -0.41 0.37 2.12 -1.26 -1.09 118.70 117.13 3frp s GLU 66 Ca 0.08 -0.05 -0.08 0.00 0.36 0.00 0.00 54.97 55.28 3frp s GLU 66 Cb -0.09 -0.92 0.08 0.00 0.26 0.00 0.00 34.13 33.47 3frp s GLU 66 CO 0.04 -0.16 0.24 0.42 -0.54 0.00 0.00 175.26 175.27 3frp s ILE 67 N 1.27 4.04 0.30 -3.70 1.01 -1.26 -4.70 121.20 118.17 3frp s ILE 67 Ca -0.05 -1.51 -0.30 0.00 0.00 0.00 0.00 60.65 58.79 3frp s ILE 67 Cb -0.14 -3.51 -0.11 0.00 0.01 0.00 0.00 42.46 38.71 3frp s ILE 67 CO -0.02 -0.53 1.57 -2.84 0.00 0.00 0.00 174.94 173.12 3frp s PRO 68 N 1.38 4.13 0.05 2.79 0.02 -1.26 -0.07 135.00 142.03 3frp s PRO 68 Ca 0.03 2.56 -0.31 0.00 0.02 0.00 0.00 61.00 63.31 3frp s PRO 68 Cb -0.23 -3.02 -0.08 0.00 0.02 0.00 0.00 34.50 31.19 3frp s PRO 68 CO 0.01 -0.61 1.64 0.00 -0.33 0.00 0.00 177.00 177.71 3frp s ALA 69 N -0.17 3.67 0.00 -1.55 0.00 -1.26 -4.87 121.76 117.58 3frp s ALA 69 Ca 0.61 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.74 3frp s ALA 69 Cb -0.47 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 18.95 3frp s ALA 69 CO 0.50 -1.12 0.00 1.63 0.00 0.00 0.00 175.76 176.77 3frp n LYS 70 N 5.73 0.00 -1.21 0.00 5.02 -1.26 -5.12 118.16 121.32 3frp n LYS 70 Ca 0.16 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 56.00 3frp n LYS 70 Cb 0.41 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.37 3frp n LYS 70 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3frp n ASN 79 N 0.00 -0.42 -3.69 4.39 4.13 -1.26 -5.15 115.26 113.25 3frp n ASN 79 Ca 0.00 0.95 -0.10 0.00 1.68 0.00 0.00 54.58 57.11 3frp n ASN 79 Cb 0.28 -0.77 -0.11 0.00 -1.54 0.00 0.00 39.78 37.65 3frp n ASN 79 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 3frp s GLN 80 N -0.33 0.39 0.25 3.52 2.00 -1.26 -5.11 119.66 119.13 3frp s GLN 80 Ca 0.66 0.79 0.11 0.00 -2.00 0.00 0.00 55.36 54.93 3frp s GLN 80 Cb -0.94 -0.02 -0.05 0.00 0.80 0.00 0.00 33.01 32.80 3frp s GLN 80 CO 0.47 -0.16 -0.19 0.71 -0.50 0.00 0.00 175.29 175.62 3frp s TYR 81 N 1.40 2.15 0.24 1.67 2.02 -1.26 -1.69 117.35 121.88 3frp s TYR 81 Ca -0.10 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.23 3frp s TYR 81 Cb -0.08 -0.95 -0.05 0.00 -0.40 0.00 0.00 41.96 40.47 3frp s TYR 81 CO -0.13 0.62 0.07 0.14 -1.57 0.00 0.00 175.55 174.68 3frp s VAL 82 N -2.54 0.60 -0.13 0.71 -7.23 0.85 -2.75 120.40 109.91 3frp s VAL 82 Ca 0.27 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 3frp s VAL 82 Cb -0.04 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.41 3frp s VAL 82 CO 0.13 -0.12 -0.14 0.54 -0.31 0.00 0.00 175.10 175.19 3frp s VAL 83 N -3.72 1.52 -0.26 1.32 0.11 -0.64 0.09 120.40 118.82 3frp s VAL 83 Ca 0.34 -0.62 -0.17 0.00 -2.93 0.00 0.00 61.98 58.59 3frp s VAL 83 Cb 0.07 -1.41 -0.03 0.00 -1.53 0.00 0.00 36.38 33.49 3frp s VAL 83 CO 0.11 0.45 0.49 -0.69 -3.33 0.00 0.00 175.10 172.13 3frp s VAL 84 N 1.25 5.09 -0.08 2.04 1.01 -0.29 -1.82 120.40 127.61 3frp s VAL 84 Ca -0.01 0.84 0.03 0.00 0.00 0.00 0.00 61.98 62.84 3frp s VAL 84 Cb -0.14 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3frp s VAL 84 CO -0.06 0.10 -0.15 -1.58 0.00 0.00 0.00 175.10 173.41 3frp s GLN 85 N 2.24 2.83 -0.04 2.72 0.74 0.47 -0.94 119.66 127.67 3frp s GLN 85 Ca 0.20 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 54.92 3frp s GLN 85 Cb -0.16 -2.44 0.01 0.00 1.10 0.00 0.00 33.01 31.52 3frp s GLN 85 CO 0.09 0.44 -0.12 0.14 -0.55 0.00 0.00 175.29 175.30 3frp s VAL 86 N -0.27 1.02 -0.00 1.34 -7.23 -0.22 -0.52 120.40 114.52 3frp s VAL 86 Ca 0.01 -0.46 -0.02 0.00 -1.81 0.00 0.00 61.98 59.70 3frp s VAL 86 Cb -0.13 -0.91 -0.00 0.00 0.56 0.00 0.00 36.38 35.89 3frp s VAL 86 CO 0.03 0.32 0.04 0.42 -0.31 0.00 0.00 175.10 175.59 3frp s THR 87 N 0.34 0.05 0.00 5.32 -4.23 0.67 -1.39 115.64 116.41 3frp s THR 87 Ca -0.07 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 3frp s THR 87 Cb -0.12 -0.21 0.00 0.00 1.34 0.00 0.00 72.50 73.51 3frp s THR 87 CO 0.02 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 3frp n GLY 88 N 2.26 1.35 3.60 3.99 0.00 -0.87 -0.51 105.19 115.01 3frp n GLY 88 Ca -0.18 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 3frp n GLY 88 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3frp s PRO 89 N -1.27 3.25 0.00 1.61 0.02 -1.26 -1.86 135.00 135.49 3frp s PRO 89 Ca 0.00 1.78 0.00 0.00 0.02 0.00 0.00 61.00 62.80 3frp s PRO 89 Cb 0.00 -4.29 0.00 0.00 0.02 0.00 0.00 34.50 30.23 3frp s PRO 89 CO 0.00 -1.96 0.00 1.04 -0.33 0.00 0.00 177.00 175.75 3frp n GLN 90 N 8.57 0.00 -5.06 5.54 1.13 -1.26 -5.05 117.38 121.26 3frp n GLN 90 Ca 0.26 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 55.02 3frp n GLN 90 Cb 0.46 -0.62 -0.17 0.00 0.11 0.00 0.00 30.24 30.02 3frp n GLN 90 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3frp s VAL 91 N -2.44 1.90 -0.32 5.09 1.01 -0.78 -5.00 120.40 119.86 3frp s VAL 91 Ca 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3frp s VAL 91 Cb 0.00 -1.66 0.16 0.00 0.00 0.00 0.00 36.38 34.88 3frp s VAL 91 CO 0.00 0.52 0.42 -0.60 0.00 0.00 0.00 175.10 175.45 3frp s ARG 92 N 0.44 0.51 0.12 2.72 3.52 -1.26 -2.05 118.95 122.96 3frp s ARG 92 Ca -0.17 -0.16 0.10 0.00 -0.13 0.00 0.00 55.73 55.37 3frp s ARG 92 Cb -0.17 -0.37 -0.04 0.00 -1.56 0.00 0.00 34.95 32.81 3frp s ARG 92 CO 0.07 -1.09 -0.26 -0.51 -0.81 0.00 0.00 175.30 172.70 3frp s LEU 93 N 2.19 2.30 -0.23 -0.88 1.43 -0.49 -4.95 118.68 118.05 3frp s LEU 93 Ca 0.12 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.39 3frp s LEU 93 Cb -0.12 -1.15 0.08 0.00 0.03 0.00 0.00 46.19 45.03 3frp s LEU 93 CO -0.21 0.16 0.55 -1.83 0.23 0.00 0.00 176.35 175.24 3frp s GLU 94 N -1.95 0.52 -0.03 1.70 -1.05 -1.26 -1.05 118.70 115.57 3frp s GLU 94 Ca 0.12 1.08 0.07 0.00 -0.15 0.00 0.00 54.97 56.09 3frp s GLU 94 Cb -0.10 0.23 -0.01 0.00 -0.44 0.00 0.00 34.13 33.80 3frp s GLU 94 CO 0.05 -0.18 -0.23 0.21 0.95 0.00 0.00 175.26 176.06 3frp s LYS 95 N 1.91 2.11 -0.24 -4.83 2.47 -0.12 -4.96 119.74 116.08 3frp s LYS 95 Ca -0.08 -0.84 -0.11 0.00 -1.56 0.00 0.00 55.97 53.38 3frp s LYS 95 Cb -0.08 -1.92 -0.05 0.00 -1.46 0.00 0.00 37.83 34.32 3frp s LYS 95 CO -0.16 0.43 0.19 0.08 0.16 0.00 0.00 175.35 176.05 3frp s VAL 96 N -0.35 5.33 -0.01 4.02 1.01 -1.26 -1.13 120.40 128.01 3frp s VAL 96 Ca 0.03 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.29 3frp s VAL 96 Cb -0.11 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 3frp s VAL 96 CO 0.01 0.32 -0.10 -0.69 0.00 0.00 0.00 175.10 174.64 3frp s VAL 97 N 1.20 0.82 0.49 2.92 1.01 0.11 -4.95 120.40 122.00 3frp s VAL 97 Ca 0.09 -0.44 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 3frp s VAL 97 Cb -0.14 -0.69 -0.06 0.00 0.00 0.00 0.00 36.38 35.49 3frp s VAL 97 CO 0.06 0.23 1.24 -0.22 0.00 0.00 0.00 175.10 176.41 3frp s LEU 98 N -0.22 3.96 -0.03 3.92 2.96 -1.26 -0.11 118.68 127.90 3frp s LEU 98 Ca 0.04 2.48 0.03 0.00 -0.22 0.00 0.00 54.13 56.46 3frp s LEU 98 Cb -0.04 -4.24 -0.03 0.00 0.50 0.00 0.00 46.19 42.37 3frp s LEU 98 CO -0.00 -1.15 -0.12 -0.22 -1.32 0.00 0.00 176.35 173.54 3frp s LEU 99 N -3.19 2.90 0.11 -0.68 2.96 -0.68 -0.86 118.68 119.24 3frp s LEU 99 Ca 0.66 -0.18 0.09 0.00 -0.22 0.00 0.00 54.13 54.49 3frp s LEU 99 Cb -0.33 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 3frp s LEU 99 CO 0.40 0.32 -0.24 -0.55 -1.32 0.00 0.00 176.35 174.96 3frp s SER 100 N -0.99 2.89 0.00 3.68 0.15 0.15 -4.70 113.70 114.87 3frp s SER 100 Ca 0.13 -0.70 0.23 0.00 0.70 0.00 0.00 55.95 56.30 3frp s SER 100 Cb -0.11 -0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.06 3frp s SER 100 CO 0.03 0.12 1.09 -1.22 1.20 0.00 0.00 173.24 174.46 3frp n TYR 101 N 1.06 0.00 -1.98 3.44 4.02 -1.26 -1.87 117.16 120.57 3frp n TYR 101 Ca -0.19 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.45 3frp n TYR 101 Cb 0.53 -0.06 -0.07 0.00 -0.02 0.00 0.00 39.34 39.72 3frp n TYR 101 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 3frp s GLN 102 N -2.86 2.25 0.23 -0.72 0.74 -1.26 -4.72 119.66 113.32 3frp s GLN 102 Ca 0.12 -0.99 -0.08 0.00 0.05 0.00 0.00 55.36 54.46 3frp s GLN 102 Cb 0.17 -5.19 0.25 0.00 1.10 0.00 0.00 33.01 29.34 3frp s GLN 102 CO 0.75 -4.24 1.87 0.77 -0.55 0.00 0.00 175.29 173.89 3frp h SER 103 N 10.14 0.85 -1.52 6.67 0.02 -1.85 -3.45 113.55 124.40 3frp h SER 103 Ca 0.17 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3frp h SER 103 Cb 0.95 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.31 3frp h SER 103 CO 1.19 0.58 0.00 -1.20 -1.14 0.00 0.00 176.83 176.26 3frp n SER 104 N -4.59 0.00 -4.59 3.07 7.64 -1.26 -4.80 113.62 109.09 3frp n SER 104 Ca 0.10 -0.85 -0.34 0.00 1.01 0.00 0.00 58.87 58.79 3frp n SER 104 Cb 0.10 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.19 3frp n SER 104 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3frp s PHE 105 N -3.14 3.15 -0.03 1.43 0.40 -1.26 -4.98 117.98 113.55 3frp s PHE 105 Ca 0.00 -0.06 0.01 0.00 -0.60 0.00 0.00 56.93 56.28 3frp s PHE 105 Cb 0.00 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 3frp s PHE 105 CO 0.00 0.13 -0.03 -0.51 0.70 0.00 0.00 175.22 175.51 3frp s LEU 106 N 0.16 3.39 -0.01 -0.37 1.43 -1.26 -1.53 118.68 120.49 3frp s LEU 106 Ca 0.02 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 3frp s LEU 106 Cb -0.13 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 3frp s LEU 106 CO 0.02 0.32 -0.09 -0.36 0.23 0.00 0.00 176.35 176.47 3frp s PHE 107 N -0.97 0.79 -0.26 0.29 0.08 -0.75 -4.63 117.98 112.52 3frp s PHE 107 Ca 0.16 -0.15 -0.06 0.00 0.12 0.00 0.00 56.93 57.00 3frp s PHE 107 Cb -0.11 -0.52 -0.00 0.00 -0.57 0.00 0.00 43.02 41.82 3frp s PHE 107 CO 0.06 -0.02 0.03 0.42 -0.10 0.00 0.00 175.22 175.61 3frp s ILE 108 N -0.15 3.76 -0.03 0.64 1.01 -1.26 -0.68 121.20 124.48 3frp s ILE 108 Ca 0.03 -0.53 -0.16 0.00 0.00 0.00 0.00 60.65 59.99 3frp s ILE 108 Cb -0.04 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 3frp s ILE 108 CO -0.00 0.26 0.42 -1.58 0.00 0.00 0.00 174.94 174.05 3frp s GLN 109 N 1.51 4.04 0.18 2.79 0.74 -0.61 -4.76 119.66 123.55 3frp s GLN 109 Ca 0.04 0.42 0.10 0.00 0.05 0.00 0.00 55.36 55.97 3frp s GLN 109 Cb -0.16 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 3frp s GLN 109 CO 0.00 0.56 -0.14 0.95 -0.55 0.00 0.00 175.29 176.11 3frp s THR 110 N -0.65 2.93 0.16 -0.34 -4.23 -1.26 -1.22 115.64 111.03 3frp s THR 110 Ca 0.24 -1.78 -0.29 0.00 -1.18 0.00 0.00 61.69 58.68 3frp s THR 110 Cb -0.16 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 3frp s THR 110 CO 0.13 -0.11 1.55 -0.78 -0.54 0.00 0.00 174.62 174.86 3frp h ASP 111 N 3.00 -1.87 -5.30 3.99 -0.00 -1.02 -3.46 116.42 111.76 3frp h ASP 111 Ca -0.47 0.29 -0.09 0.00 -0.00 0.00 0.00 57.03 56.76 3frp h ASP 111 Cb 1.21 0.83 -0.11 0.00 -0.00 0.00 0.00 39.33 41.26 3frp h ASP 111 CO 0.52 -0.31 -0.23 -1.59 -0.00 0.00 0.00 179.24 177.64 3frp s LYS 112 N -5.66 1.43 0.00 0.28 -2.85 -1.26 -4.96 119.74 106.73 3frp s LYS 112 Ca -0.13 -1.30 0.27 0.00 -1.00 0.00 0.00 55.97 53.81 3frp s LYS 112 Cb 0.12 0.43 0.80 0.00 -2.06 0.00 0.00 37.83 37.11 3frp s LYS 112 CO 0.64 -0.57 1.59 0.41 0.10 0.00 0.00 175.35 177.52 3frp n GLY 113 N -0.34 -0.58 3.09 0.59 0.00 -1.26 -4.90 105.19 101.79 3frp n GLY 113 Ca -0.02 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 3frp n GLY 113 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3frp s ILE 114 N -2.46 -0.04 0.22 -0.61 2.07 -1.26 -1.22 121.20 117.90 3frp s ILE 114 Ca 0.26 0.13 0.09 0.00 -1.41 0.00 0.00 60.65 59.72 3frp s ILE 114 Cb 0.19 -0.41 -0.05 0.00 0.13 0.00 0.00 42.46 42.33 3frp s ILE 114 CO 0.50 0.05 -0.17 -0.31 -1.91 0.00 0.00 174.94 173.11 3frp s TYR 115 N 1.19 1.91 0.15 3.50 1.51 0.04 -4.97 117.35 120.68 3frp s TYR 115 Ca -0.09 -0.48 0.03 0.00 -1.01 0.00 0.00 57.07 55.52 3frp s TYR 115 Cb -0.09 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.84 3frp s TYR 115 CO -0.08 0.46 0.25 0.95 -1.11 0.00 0.00 175.55 176.02 3frp s THR 116 N -2.64 5.18 0.50 -0.71 -4.23 -1.26 -1.26 115.64 111.22 3frp s THR 116 Ca 0.23 -0.74 -0.22 0.00 -1.18 0.00 0.00 61.69 59.78 3frp s THR 116 Cb -0.03 -3.66 -0.07 0.00 1.34 0.00 0.00 72.50 70.08 3frp s THR 116 CO 0.09 -0.08 1.20 -2.65 -0.54 0.00 0.00 174.62 172.64 3frp n PRO 117 N -0.47 1.55 -3.08 3.99 -0.02 -1.26 -3.03 135.00 132.69 3frp n PRO 117 Ca -0.07 0.57 -0.13 0.00 -2.02 0.00 0.00 63.50 61.84 3frp n PRO 117 Cb 0.54 -2.36 0.05 0.00 -0.02 0.00 0.00 33.50 31.71 3frp n PRO 117 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3frp n GLY 118 N 0.94 0.03 3.26 -1.23 0.00 -0.76 -4.83 105.19 102.60 3frp n GLY 118 Ca 0.10 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 3frp n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3frp s SER 119 N -3.36 1.37 0.57 1.61 1.04 -1.17 -4.93 113.70 108.83 3frp s SER 119 Ca 0.26 -1.17 -0.04 0.00 0.48 0.00 0.00 55.95 55.48 3frp s SER 119 Cb -0.11 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.11 3frp s SER 119 CO 0.44 -0.54 0.85 -2.16 0.98 0.00 0.00 173.24 172.80 3frp s PRO 120 N -3.90 2.84 -0.22 4.02 0.04 -1.26 -1.46 135.00 135.07 3frp s PRO 120 Ca 0.24 -0.22 0.01 0.00 0.04 0.00 0.00 61.00 61.07 3frp s PRO 120 Cb 0.06 -2.35 0.05 0.00 0.04 0.00 0.00 34.50 32.30 3frp s PRO 120 CO 0.05 -0.66 -0.09 0.08 0.04 0.00 0.00 177.00 176.42 3frp s VAL 121 N -2.89 1.72 -0.07 -0.36 1.01 -0.63 -4.92 120.40 114.26 3frp s VAL 121 Ca 0.54 -1.17 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 3frp s VAL 121 Cb -0.10 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 3frp s VAL 121 CO 0.43 0.08 0.40 -0.76 0.00 0.00 0.00 175.10 175.24 3frp s LEU 122 N 1.34 4.37 0.07 3.92 1.43 -1.26 -2.42 118.68 126.13 3frp s LEU 122 Ca -0.04 0.82 -0.09 0.00 -1.03 0.00 0.00 54.13 53.80 3frp s LEU 122 Cb -0.17 -2.56 -0.00 0.00 0.03 0.00 0.00 46.19 43.48 3frp s LEU 122 CO -0.07 0.19 0.19 -0.72 0.23 0.00 0.00 176.35 176.17 3frp s TYR 123 N -0.30 0.12 0.06 0.29 1.13 -1.26 -0.28 117.35 117.12 3frp s TYR 123 Ca 0.23 -0.48 0.04 0.00 -1.41 0.00 0.00 57.07 55.44 3frp s TYR 123 Cb -0.15 -0.05 -0.03 0.00 -1.10 0.00 0.00 41.96 40.62 3frp s TYR 123 CO 0.10 -0.50 -0.11 1.03 -2.51 0.00 0.00 175.55 173.56 3frp s ARG 124 N -3.40 0.72 -0.11 -3.49 0.52 -0.36 -4.83 118.95 108.00 3frp s ARG 124 Ca 0.01 -0.91 0.03 0.00 -0.52 0.00 0.00 55.73 54.34 3frp s ARG 124 Cb 0.03 -0.58 0.01 0.00 0.52 0.00 0.00 34.95 34.92 3frp s ARG 124 CO -0.08 0.12 -0.22 0.08 0.02 0.00 0.00 175.30 175.22 3frp s VAL 125 N -1.50 1.94 0.14 3.52 1.01 -1.26 -1.58 120.40 122.68 3frp s VAL 125 Ca -0.04 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.09 3frp s VAL 125 Cb -0.09 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3frp s VAL 125 CO 0.01 0.53 -0.10 -0.36 0.00 0.00 0.00 175.10 175.18 3frp s PHE 126 N 0.57 2.68 -0.05 5.22 0.08 0.14 -4.98 117.98 121.65 3frp s PHE 126 Ca -0.14 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 56.75 3frp s PHE 126 Cb -0.17 -1.36 0.00 0.00 -0.57 0.00 0.00 43.02 40.93 3frp s PHE 126 CO 0.04 0.47 -0.14 0.45 -0.10 0.00 0.00 175.22 175.94 3frp s SER 127 N -2.52 1.86 0.00 1.36 0.15 -1.26 -1.82 113.70 111.47 3frp s SER 127 Ca 0.23 -0.31 0.17 0.00 0.70 0.00 0.00 55.95 56.75 3frp s SER 127 Cb -0.10 -0.61 0.82 0.00 -1.71 0.00 0.00 66.02 64.42 3frp s SER 127 CO 0.14 0.10 1.52 0.23 1.20 0.00 0.00 173.24 176.44 3frp n MET 128 N 3.36 0.16 -1.61 5.44 2.81 -0.58 -5.00 117.12 121.70 3frp n MET 128 Ca -0.19 0.15 -0.51 0.00 -1.81 0.00 0.00 57.70 55.34 3frp n MET 128 Cb 0.53 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.48 3frp n MET 128 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3frp n THR 138 N -1.36 0.01 -4.37 2.03 -1.04 -1.26 -4.99 114.28 103.31 3frp n THR 138 Ca 0.07 -0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.83 3frp n THR 138 Cb 0.16 -1.00 -0.13 0.00 -1.82 0.00 0.00 70.33 67.54 3frp n THR 138 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3frp s VAL 139 N 0.66 1.72 0.15 12.58 1.01 -1.26 -4.04 120.40 131.22 3frp s VAL 139 Ca 0.83 -1.47 0.07 0.00 0.00 0.00 0.00 61.98 61.42 3frp s VAL 139 Cb -0.89 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3frp s VAL 139 CO 0.45 0.00 -0.17 0.27 0.00 0.00 0.00 175.10 175.66 3frp s ILE 140 N -1.08 1.61 -0.05 2.22 -5.25 -0.21 -0.36 121.20 118.08 3frp s ILE 140 Ca 0.07 -1.83 0.02 0.00 -0.99 0.00 0.00 60.65 57.93 3frp s ILE 140 Cb -0.10 -1.71 0.01 0.00 2.95 0.00 0.00 42.46 43.61 3frp s ILE 140 CO 0.04 -0.35 -0.11 -0.69 -1.79 0.00 0.00 174.94 172.03 3frp s VAL 141 N -2.07 1.02 0.05 8.37 1.01 -0.87 -1.86 120.40 126.05 3frp s VAL 141 Ca 0.13 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.75 3frp s VAL 141 Cb -0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 3frp s VAL 141 CO 0.05 0.32 -0.24 -1.61 0.00 0.00 0.00 175.10 173.63 3frp s GLU 142 N 0.51 1.55 -0.12 2.72 2.02 0.11 -3.25 118.70 122.25 3frp s GLU 142 Ca -0.10 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 53.83 3frp s GLU 142 Cb -0.14 -1.73 -0.02 0.00 0.10 0.00 0.00 34.13 32.34 3frp s GLU 142 CO 0.02 0.44 -0.13 -0.06 0.02 0.00 0.00 175.26 175.56 3frp s PHE 143 N -0.84 2.81 0.07 1.61 0.40 -1.17 -0.96 117.98 119.90 3frp s PHE 143 Ca 0.10 -0.58 0.09 0.00 -0.60 0.00 0.00 56.93 55.94 3frp s PHE 143 Cb -0.09 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 3frp s PHE 143 CO 0.02 -0.16 -0.25 -0.65 0.70 0.00 0.00 175.22 174.89 3frp s GLN 144 N 0.23 1.53 0.79 0.44 -0.21 0.05 -1.06 119.66 121.44 3frp s GLN 144 Ca -0.08 -1.14 -0.11 0.00 0.02 0.00 0.00 55.36 54.05 3frp s GLN 144 Cb -0.15 -1.79 0.08 0.00 1.00 0.00 0.00 33.01 32.15 3frp s GLN 144 CO 0.05 0.45 1.15 0.95 -2.12 0.00 0.00 175.29 175.76 3frp s THR 145 N -0.91 2.06 0.20 -0.19 -4.23 -0.83 -2.18 115.64 109.56 3frp s THR 145 Ca 0.11 -0.06 -0.11 0.00 -1.18 0.00 0.00 61.69 60.44 3frp s THR 145 Cb -0.10 -3.00 0.14 0.00 1.34 0.00 0.00 72.50 70.89 3frp s THR 145 CO 0.03 0.00 1.71 -0.65 -0.54 0.00 0.00 174.62 175.17 3frp h PRO 146 N -0.98 0.23 0.00 3.99 0.11 -1.89 -0.98 132.00 132.48 3frp h PRO 146 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3frp h PRO 146 Cb 1.32 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3frp h PRO 146 CO 0.63 0.15 0.00 0.39 -0.21 0.00 0.00 178.00 178.97 3frp n GLU 147 N -5.13 0.30 -0.90 1.05 4.71 -1.26 -4.86 120.64 114.55 3frp n GLU 147 Ca 0.07 0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 3frp n GLU 147 Cb 0.29 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 3frp n GLU 147 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3frp n GLY 148 N -0.24 0.63 3.64 0.62 0.00 -0.37 -5.06 105.19 104.41 3frp n GLY 148 Ca 0.08 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 3frp n GLY 148 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3frp s ILE 149 N -2.00 5.31 0.42 -0.61 -1.09 -1.26 -4.78 121.20 117.19 3frp s ILE 149 Ca 0.00 0.27 -0.26 0.00 -2.23 0.00 0.00 60.65 58.42 3frp s ILE 149 Cb 0.00 -3.55 -0.09 0.00 -1.58 0.00 0.00 42.46 37.24 3frp s ILE 149 CO 0.00 0.29 1.46 -0.76 -1.23 0.00 0.00 174.94 174.70 3frp s LEU 150 N 1.37 4.20 0.00 2.97 1.02 -1.26 -1.98 118.68 125.00 3frp s LEU 150 Ca 0.09 2.99 0.00 0.00 0.02 0.00 0.00 54.13 57.24 3frp s LEU 150 Cb -0.15 -3.82 0.00 0.00 0.02 0.00 0.00 46.19 42.24 3frp s LEU 150 CO 0.07 -1.06 0.19 1.33 0.02 0.00 0.00 176.35 176.90 3frp n VAL 151 N 0.07 0.02 -3.59 -1.59 0.24 -0.22 -4.94 118.33 108.32 3frp n VAL 151 Ca 0.03 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.34 62.14 3frp n VAL 151 Cb 0.41 1.62 -0.06 0.00 -1.47 0.00 0.00 33.84 34.33 3frp n VAL 151 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3frp s SER 152 N -0.02 -0.49 -0.29 -1.34 0.15 -1.23 -4.89 113.70 105.60 3frp s SER 152 Ca 0.00 0.41 -0.22 0.00 0.70 0.00 0.00 55.95 56.85 3frp s SER 152 Cb 0.00 0.47 0.14 0.00 -1.71 0.00 0.00 66.02 64.93 3frp s SER 152 CO 0.00 -0.60 1.08 -0.55 1.20 0.00 0.00 173.24 174.37 3frp s SER 153 N -1.45 -0.40 0.00 5.45 0.15 -1.24 -3.05 113.70 113.16 3frp s SER 153 Ca -0.10 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.26 3frp s SER 153 Cb -0.01 0.88 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 3frp s SER 153 CO 0.05 -0.12 0.00 -0.46 1.20 0.00 0.00 173.24 173.91 3frp n ASN 154 N 2.64 0.00 -4.67 5.45 0.23 -1.20 -4.96 115.26 112.75 3frp n ASN 154 Ca -0.14 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.48 3frp n ASN 154 Cb 0.57 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.26 3frp n ASN 154 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3frp n SER 155 N 0.00 2.30 -4.17 0.53 7.64 -1.26 -2.06 113.62 116.60 3frp n SER 155 Ca 0.00 1.16 -0.31 0.00 1.01 0.00 0.00 58.87 60.73 3frp n SER 155 Cb 0.00 -1.44 -0.17 0.00 -1.01 0.00 0.00 64.21 61.59 3frp n SER 155 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3frp s VAL 156 N -1.13 1.93 -0.36 0.44 1.01 0.51 -4.89 120.40 117.90 3frp s VAL 156 Ca 0.58 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 3frp s VAL 156 Cb -0.58 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.13 3frp s VAL 156 CO 0.60 0.53 1.07 -1.81 0.00 0.00 0.00 175.10 175.49 3frp s ASP 157 N 0.61 6.82 0.00 3.32 1.01 -1.26 -4.54 116.67 122.64 3frp s ASP 157 Ca -0.13 0.84 0.12 0.00 0.71 0.00 0.00 52.55 54.10 3frp s ASP 157 Cb -0.17 -2.53 0.58 0.00 1.01 0.00 0.00 42.92 41.81 3frp s ASP 157 CO 0.03 -0.97 1.36 0.18 0.21 0.00 0.00 175.17 175.99 3frp n LEU 158 N 7.10 0.00 0.04 1.23 4.77 -1.26 -0.63 117.00 128.24 3frp n LEU 158 Ca 0.11 0.40 0.11 0.00 -0.03 0.00 0.00 56.01 56.61 3frp n LEU 158 Cb 0.48 -0.40 0.05 0.00 -2.33 0.00 0.00 43.42 41.21 3frp n LEU 158 CO 0.62 -0.23 0.05 0.59 -1.33 0.00 0.00 177.39 177.09 3frp n ASN 159 N -1.40 0.63 -3.64 -1.43 3.02 -1.26 -4.91 115.26 106.26 3frp n ASN 159 Ca 0.04 -0.08 -0.14 0.00 -0.03 0.00 0.00 54.58 54.37 3frp n ASN 159 Cb 0.13 0.67 -0.13 0.00 -0.61 0.00 0.00 39.78 39.83 3frp n ASN 159 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3frp s PHE 160 N -3.22 -0.40 0.10 3.10 5.36 0.19 -5.15 117.98 117.97 3frp s PHE 160 Ca 0.03 0.88 0.06 0.00 -0.96 0.00 0.00 56.93 56.94 3frp s PHE 160 Cb 0.14 -0.08 -0.04 0.00 -0.34 0.00 0.00 43.02 42.70 3frp s PHE 160 CO 0.79 -0.37 -0.03 -0.06 -1.46 0.00 0.00 175.22 174.08 3frp s PHE 161 N 2.41 2.90 -0.17 10.12 0.08 -1.26 -4.01 117.98 128.05 3frp s PHE 161 Ca 0.02 -0.08 -0.07 0.00 0.12 0.00 0.00 56.93 56.92 3frp s PHE 161 Cb -0.12 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 3frp s PHE 161 CO -0.09 0.47 0.07 -1.58 -0.10 0.00 0.00 175.22 173.99 3frp s TRP 162 N -1.32 3.30 0.53 0.36 0.52 -1.26 -5.04 118.94 116.02 3frp s TRP 162 Ca 0.25 0.15 -0.22 0.00 0.02 0.00 0.00 56.10 56.31 3frp s TRP 162 Cb -0.11 -2.05 -0.05 0.00 -1.15 0.00 0.00 33.47 30.10 3frp s TRP 162 CO 0.17 0.25 1.29 -1.25 0.02 0.00 0.00 176.95 177.43 3frp s PRO 163 N 0.14 3.27 -0.22 4.98 0.04 -1.26 -4.84 135.00 137.11 3frp s PRO 163 Ca 0.05 2.06 -0.08 0.00 0.04 0.00 0.00 61.00 63.07 3frp s PRO 163 Cb -0.12 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 3frp s PRO 163 CO 0.00 -1.03 0.10 -0.47 0.04 0.00 0.00 177.00 175.64 3frp s TYR 164 N -1.40 3.20 -0.38 0.56 5.04 -1.01 -4.89 117.35 118.46 3frp s TYR 164 Ca 0.70 -0.04 -0.20 0.00 -2.44 0.00 0.00 57.07 55.09 3frp s TYR 164 Cb -0.36 -2.20 0.01 0.00 0.35 0.00 0.00 41.96 39.76 3frp s TYR 164 CO 0.42 -0.06 0.64 -0.80 -1.34 0.00 0.00 175.55 174.42 3frp s ASN 165 N 1.04 6.39 -0.05 4.32 0.01 -1.26 -1.61 114.94 123.77 3frp s ASN 165 Ca 0.05 -0.01 -0.30 0.00 -0.71 0.00 0.00 52.86 51.90 3frp s ASN 165 Cb -0.14 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 3frp s ASN 165 CO 0.03 -0.65 1.30 -0.76 -1.51 0.00 0.00 177.10 175.52 3frp s LEU 166 N 2.75 4.28 0.62 0.60 1.43 -0.53 -4.98 118.68 122.84 3frp s LEU 166 Ca 0.24 1.92 -0.19 0.00 -1.03 0.00 0.00 54.13 55.07 3frp s LEU 166 Cb -0.14 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 3frp s LEU 166 CO 0.16 -0.68 1.29 -2.84 0.23 0.00 0.00 176.35 174.52 3frp s PRO 167 N 2.58 2.74 0.30 1.29 0.02 -1.26 -1.83 135.00 138.84 3frp s PRO 167 Ca 0.59 2.06 -0.01 0.00 0.02 0.00 0.00 61.00 63.66 3frp s PRO 167 Cb -0.27 -1.94 0.47 0.00 0.02 0.00 0.00 34.50 32.78 3frp s PRO 167 CO 0.23 -1.45 1.97 -0.44 -0.33 0.00 0.00 177.00 176.97 3frp h ASP 168 N 0.79 0.93 -3.45 2.53 3.32 -1.92 -2.59 116.42 116.02 3frp h ASP 168 Ca -0.51 -0.02 -0.66 0.00 0.02 0.00 0.00 57.03 55.87 3frp h ASP 168 Cb 1.32 -0.23 -0.26 0.00 0.22 0.00 0.00 39.33 40.38 3frp h ASP 168 CO 0.54 0.67 -0.70 -0.76 -1.72 0.00 0.00 179.24 177.27 3frp s LEU 169 N -9.92 3.02 0.22 1.55 1.43 -1.26 -4.59 118.68 109.13 3frp s LEU 169 Ca -0.11 -0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 52.55 3frp s LEU 169 Cb 0.18 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 3frp s LEU 169 CO 0.79 -0.02 0.37 0.54 0.23 0.00 0.00 176.35 178.27 3frp s VAL 170 N 1.47 0.01 0.14 -1.59 0.11 -1.26 -5.06 120.40 114.22 3frp s VAL 170 Ca 0.05 -1.53 -0.29 0.00 -2.93 0.00 0.00 61.98 57.29 3frp s VAL 170 Cb -0.14 -2.21 -0.07 0.00 -1.53 0.00 0.00 36.38 32.43 3frp s VAL 170 CO -0.01 -0.04 0.91 -0.94 -3.33 0.00 0.00 175.10 171.68 3frp s SER 171 N -3.04 7.49 -0.08 3.54 1.04 -1.26 -5.05 113.70 116.34 3frp s SER 171 Ca 0.25 1.77 -0.12 0.00 0.48 0.00 0.00 55.95 58.34 3frp s SER 171 Cb 0.02 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 3frp s SER 171 CO 0.08 0.04 0.30 -0.76 0.98 0.00 0.00 173.24 173.88 3frp s LEU 172 N -0.46 4.39 0.00 2.42 1.43 -1.26 -4.85 118.68 120.35 3frp s LEU 172 Ca 0.43 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 3frp s LEU 172 Cb -0.24 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.61 3frp s LEU 172 CO 0.29 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.77 3frp n GLY 173 N 2.27 0.78 3.55 -3.19 0.00 -0.72 -4.93 105.19 102.95 3frp n GLY 173 Ca -0.15 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 3frp n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3frp s THR 174 N -2.44 4.37 0.75 2.61 2.01 -1.26 -1.59 115.64 120.09 3frp s THR 174 Ca 0.00 0.60 -0.07 0.00 0.31 0.00 0.00 61.69 62.53 3frp s THR 174 Cb 0.00 -4.52 0.10 0.00 0.01 0.00 0.00 72.50 68.09 3frp s THR 174 CO 0.00 -1.01 1.06 0.26 -0.69 0.00 0.00 174.62 174.24 3frp s TRP 175 N 4.01 2.40 -0.00 4.92 0.52 -0.57 -3.71 118.94 126.51 3frp s TRP 175 Ca 0.36 0.26 -0.07 0.00 0.02 0.00 0.00 56.10 56.67 3frp s TRP 175 Cb -0.11 -3.32 0.00 0.00 -1.15 0.00 0.00 33.47 28.89 3frp s TRP 175 CO 0.24 -1.69 0.14 -0.98 0.02 0.00 0.00 176.95 174.67 3frp s ARG 176 N -5.34 0.46 -0.08 4.98 1.70 -0.93 -3.04 118.95 116.70 3frp s ARG 176 Ca 0.64 -0.35 0.05 0.00 -0.47 0.00 0.00 55.73 55.60 3frp s ARG 176 Cb -0.08 0.19 -0.01 0.00 -0.57 0.00 0.00 34.95 34.48 3frp s ARG 176 CO 0.46 -0.11 -0.24 0.42 -1.08 0.00 0.00 175.30 174.75 3frp s ILE 177 N -1.27 2.08 -0.03 4.99 1.01 0.98 -0.77 121.20 128.20 3frp s ILE 177 Ca -0.14 -1.03 0.06 0.00 0.00 0.00 0.00 60.65 59.53 3frp s ILE 177 Cb -0.07 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 3frp s ILE 177 CO 0.01 0.56 -0.19 -0.69 0.00 0.00 0.00 174.94 174.64 3frp s VAL 178 N 0.08 2.66 -0.04 2.92 1.01 -0.13 -0.71 120.40 126.19 3frp s VAL 178 Ca -0.11 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.01 3frp s VAL 178 Cb -0.16 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 3frp s VAL 178 CO 0.06 0.57 -0.16 0.00 0.00 0.00 0.00 175.10 175.57 3frp s ALA 179 N -0.70 1.44 0.17 5.51 0.00 -0.87 -0.71 121.76 126.60 3frp s ALA 179 Ca 0.11 -0.65 -0.23 0.00 0.00 0.00 0.00 51.96 51.19 3frp s ALA 179 Cb -0.10 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.60 3frp s ALA 179 CO 0.00 0.26 0.63 -1.59 0.00 0.00 0.00 175.76 175.06 3frp s LYS 180 N 0.04 1.34 0.54 0.00 -2.85 -0.78 -2.77 119.74 115.27 3frp s LYS 180 Ca -0.03 -0.54 -0.12 0.00 -1.00 0.00 0.00 55.97 54.27 3frp s LYS 180 Cb -0.11 0.59 -0.06 0.00 -2.06 0.00 0.00 37.83 36.19 3frp s LYS 180 CO 0.02 -0.59 0.95 0.71 0.10 0.00 0.00 175.35 176.54 3frp s TYR 181 N -3.76 3.54 0.22 1.78 1.51 -1.26 -1.05 117.35 118.34 3frp s TYR 181 Ca 0.03 1.26 -0.08 0.00 -1.01 0.00 0.00 57.07 57.26 3frp s TYR 181 Cb -0.02 -2.66 0.36 0.00 -0.11 0.00 0.00 41.96 39.53 3frp s TYR 181 CO -0.10 -0.46 1.68 0.93 -1.11 0.00 0.00 175.55 176.49 3frp h GLU 182 N 0.36 0.18 -1.08 -0.62 5.08 -1.93 -2.84 114.58 113.73 3frp h GLU 182 Ca -0.46 -0.01 -0.54 0.00 -1.00 0.00 0.00 59.36 57.36 3frp h GLU 182 Cb 1.19 -0.04 -0.42 0.00 0.50 0.00 0.00 28.75 29.98 3frp h GLU 182 CO 0.62 0.12 -0.82 0.72 -1.00 0.00 0.00 179.01 178.65 3frp n HIS 183 N -5.22 2.85 -4.43 4.33 8.25 -1.26 -5.04 115.22 114.71 3frp n HIS 183 Ca 0.11 -2.64 -0.32 0.00 -0.26 0.00 0.00 57.72 54.61 3frp n HIS 183 Cb 0.39 -0.22 -0.10 0.00 1.12 0.00 0.00 29.99 31.18 3frp n HIS 183 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3frp s SER 184 N -3.56 4.63 0.11 0.41 0.15 -1.07 -4.90 113.70 109.47 3frp s SER 184 Ca 0.47 -0.16 0.23 0.00 0.70 0.00 0.00 55.95 57.19 3frp s SER 184 Cb 0.40 -1.07 0.04 0.00 -1.71 0.00 0.00 66.02 63.69 3frp s SER 184 CO -0.06 0.27 1.03 -0.81 1.20 0.00 0.00 173.24 174.87 3frp n PRO 185 N 1.45 0.44 -4.15 5.44 -0.05 -1.26 -4.90 135.00 131.97 3frp n PRO 185 Ca -0.15 0.04 -0.30 0.00 -0.05 0.00 0.00 63.50 63.04 3frp n PRO 185 Cb 0.52 -1.69 -0.08 0.00 -0.05 0.00 0.00 33.50 32.20 3frp n PRO 185 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 175.50 173.62 3frp s GLU 186 N -3.29 2.45 0.25 0.54 1.03 -1.26 -5.12 118.70 113.30 3frp s GLU 186 Ca 0.01 -0.88 -0.11 0.00 0.03 0.00 0.00 54.97 54.03 3frp s GLU 186 Cb 0.12 -2.49 -0.01 0.00 -0.80 0.00 0.00 34.13 30.96 3frp s GLU 186 CO 0.79 0.53 0.43 0.54 -1.33 0.00 0.00 175.26 176.23 3frp s ASN 187 N -2.29 -0.02 -0.13 0.83 2.20 -1.26 -4.76 114.94 109.51 3frp s ASN 187 Ca 0.25 -1.02 -0.03 0.00 -0.94 0.00 0.00 52.86 51.12 3frp s ASN 187 Cb -0.12 0.56 -0.03 0.00 -2.00 0.00 0.00 41.25 39.67 3frp s ASN 187 CO 0.17 -1.11 -0.02 -0.47 -2.94 0.00 0.00 177.10 172.73 3frp s TYR 188 N -3.99 3.07 -0.08 1.54 5.04 -1.11 -5.02 117.35 116.80 3frp s TYR 188 Ca 0.25 -0.11 0.05 0.00 -2.44 0.00 0.00 57.07 54.82 3frp s TYR 188 Cb 0.00 -1.90 -0.01 0.00 0.35 0.00 0.00 41.96 40.40 3frp s TYR 188 CO 0.10 0.14 -0.23 0.99 -1.34 0.00 0.00 175.55 175.21 3frp s THR 189 N -0.06 2.16 0.20 4.34 2.01 -1.26 -2.05 115.64 120.98 3frp s THR 189 Ca 0.02 -1.01 0.11 0.00 0.31 0.00 0.00 61.69 61.12 3frp s THR 189 Cb -0.13 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 3frp s THR 189 CO 0.02 0.56 -0.22 0.00 -0.69 0.00 0.00 174.62 174.30 3frp s ALA 190 N 0.09 2.43 0.26 7.40 0.00 0.11 -4.96 121.76 127.08 3frp s ALA 190 Ca -0.11 -1.65 0.12 0.00 0.00 0.00 0.00 51.96 50.32 3frp s ALA 190 Cb -0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 3frp s ALA 190 CO 0.06 0.34 -0.21 0.71 0.00 0.00 0.00 175.76 176.66 3frp s TYR 191 N -1.96 2.29 -0.06 0.00 1.51 -1.26 -0.01 117.35 117.85 3frp s TYR 191 Ca 0.21 -0.34 -0.25 0.00 -1.01 0.00 0.00 57.07 55.68 3frp s TYR 191 Cb -0.07 -1.02 0.06 0.00 -0.11 0.00 0.00 41.96 40.82 3frp s TYR 191 CO 0.10 0.67 0.57 -0.59 -1.11 0.00 0.00 175.55 175.19 3frp s PHE 192 N -2.33 -0.53 0.16 2.71 -0.71 -1.17 -4.90 117.98 111.20 3frp s PHE 192 Ca 0.28 0.97 -0.03 0.00 -1.04 0.00 0.00 56.93 57.11 3frp s PHE 192 Cb -0.06 0.30 -0.05 0.00 -1.21 0.00 0.00 43.02 42.01 3frp s PHE 192 CO 0.14 -0.51 0.37 -0.51 -1.34 0.00 0.00 175.22 173.36 3frp s ASP 193 N -1.03 6.44 -0.26 1.98 -0.00 -0.35 -1.51 116.67 121.94 3frp s ASP 193 Ca -0.10 0.50 0.02 0.00 -0.00 0.00 0.00 52.55 52.97 3frp s ASP 193 Cb -0.02 -2.05 0.06 0.00 -0.00 0.00 0.00 42.92 40.90 3frp s ASP 193 CO 0.07 0.03 -0.11 -0.69 -0.00 0.00 0.00 175.17 174.47 3frp s VAL 194 N -1.72 2.23 0.07 -1.27 1.01 -0.62 -0.78 120.40 119.32 3frp s VAL 194 Ca 0.40 -1.57 0.03 0.00 0.00 0.00 0.00 61.98 60.84 3frp s VAL 194 Cb -0.12 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 3frp s VAL 194 CO 0.27 0.00 -0.09 -0.13 0.00 0.00 0.00 175.10 175.15 3frp s ARG 195 N 1.13 0.72 -1.32 2.72 0.52 -0.39 -1.76 118.95 120.56 3frp s ARG 195 Ca -0.08 -1.03 -0.16 0.00 -0.52 0.00 0.00 55.73 53.94 3frp s ARG 195 Cb -0.19 -0.38 0.08 0.00 0.52 0.00 0.00 34.95 34.97 3frp s ARG 195 CO -0.05 0.05 1.81 1.63 0.02 0.00 0.00 175.30 178.76 3frp n LYS 196 N 0.81 3.16 -4.38 3.54 5.02 -1.26 -4.12 118.16 120.93 3frp n LYS 196 Ca -0.18 -3.21 -0.28 0.00 -2.02 0.00 0.00 58.31 52.62 3frp n LYS 196 Cb 0.57 -3.38 -0.13 0.00 -0.02 0.00 0.00 35.03 32.07 3frp n LYS 196 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 3frp s TYR 197 N 3.58 2.23 -0.10 2.13 -0.85 -1.26 -5.14 117.35 117.93 3frp s TYR 197 Ca 0.51 -0.38 -0.02 0.00 -0.52 0.00 0.00 57.07 56.65 3frp s TYR 197 Cb 0.06 -1.18 -0.03 0.00 0.38 0.00 0.00 41.96 41.18 3frp s TYR 197 CO 0.03 0.35 -0.00 0.14 -1.52 0.00 0.00 175.55 174.55 3frp s VAL 198 N -1.22 4.26 0.21 -3.49 -7.23 -1.26 -4.96 120.40 106.72 3frp s VAL 198 Ca 0.14 -0.26 -0.32 0.00 -1.81 0.00 0.00 61.98 59.74 3frp s VAL 198 Cb -0.09 -2.81 -0.13 0.00 0.56 0.00 0.00 36.38 33.91 3frp s VAL 198 CO 0.07 0.58 1.65 0.18 -0.31 0.00 0.00 175.10 177.26 3frp n LEU 199 N 2.46 3.77 -4.87 1.32 4.32 -1.26 -5.02 117.00 117.72 3frp n LEU 199 Ca -0.18 1.09 -0.30 0.00 -0.02 0.00 0.00 56.01 56.59 3frp n LEU 199 Cb 0.53 -1.53 -0.01 0.00 -1.62 0.00 0.00 43.42 40.79 3frp n LEU 199 CO 0.29 0.01 0.60 -2.16 -1.22 0.00 0.00 177.39 174.91 3frp s PRO 200 N 0.73 3.71 0.00 3.23 0.04 -1.26 -4.98 135.00 136.47 3frp s PRO 200 Ca 0.74 0.63 0.28 0.00 0.04 0.00 0.00 61.00 62.69 3frp s PRO 200 Cb -0.56 -2.22 1.09 0.00 0.04 0.00 0.00 34.50 32.85 3frp s PRO 200 CO 0.37 -0.31 1.83 -1.13 0.04 0.00 0.00 177.00 177.80 3frp n SER 201 N -2.07 0.11 -4.05 6.66 3.41 -1.26 -4.84 113.62 111.58 3frp n SER 201 Ca 0.04 0.35 -0.12 0.00 -0.26 0.00 0.00 58.87 58.89 3frp n SER 201 Cb 0.54 -0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 64.02 3frp n SER 201 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3frp s PHE 202 N -3.00 0.60 0.13 7.33 -0.71 -1.26 -1.16 117.98 119.91 3frp s PHE 202 Ca 0.13 -0.53 -0.13 0.00 -1.04 0.00 0.00 56.93 55.36 3frp s PHE 202 Cb 0.19 -0.37 -0.07 0.00 -1.21 0.00 0.00 43.02 41.56 3frp s PHE 202 CO 0.56 -0.11 0.51 -1.83 -1.34 0.00 0.00 175.22 173.01 3frp s GLU 203 N -1.70 3.92 -0.19 1.99 -1.05 -0.60 -4.93 118.70 116.13 3frp s GLU 203 Ca -0.10 0.40 -0.03 0.00 -0.15 0.00 0.00 54.97 55.09 3frp s GLU 203 Cb -0.09 -2.94 -0.01 0.00 -0.44 0.00 0.00 34.13 30.65 3frp s GLU 203 CO -0.00 0.50 -0.07 0.08 0.95 0.00 0.00 175.26 176.71 3frp s VAL 204 N -1.46 3.27 -0.04 1.83 1.01 -1.26 -2.14 120.40 121.61 3frp s VAL 204 Ca 0.37 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.84 3frp s VAL 204 Cb -0.15 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3frp s VAL 204 CO 0.19 0.46 -0.13 -0.13 0.00 0.00 0.00 175.10 175.48 3frp s ARG 205 N 1.15 2.51 0.03 2.72 0.52 0.69 -4.98 118.95 121.59 3frp s ARG 205 Ca 0.02 -0.69 0.08 0.00 -0.52 0.00 0.00 55.73 54.61 3frp s ARG 205 Cb -0.14 -2.40 -0.03 0.00 0.52 0.00 0.00 34.95 32.90 3frp s ARG 205 CO -0.02 0.62 -0.21 -0.51 0.02 0.00 0.00 175.30 175.20 3frp s LEU 206 N -0.82 2.41 -0.22 2.53 1.43 -1.26 -0.41 118.68 122.33 3frp s LEU 206 Ca 0.12 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 3frp s LEU 206 Cb -0.11 -1.42 0.05 0.00 0.03 0.00 0.00 46.19 44.74 3frp s LEU 206 CO 0.01 0.27 -0.08 -1.58 0.23 0.00 0.00 176.35 175.20 3frp s GLN 207 N -1.20 1.91 0.38 1.70 2.00 0.11 -4.96 119.66 119.59 3frp s GLN 207 Ca 0.13 -0.99 -0.25 0.00 -2.00 0.00 0.00 55.36 52.25 3frp s GLN 207 Cb -0.10 -2.57 -0.09 0.00 0.80 0.00 0.00 33.01 31.05 3frp s GLN 207 CO 0.03 -0.52 1.04 -1.25 -0.50 0.00 0.00 175.29 174.09 3frp s PRO 208 N 1.35 4.26 0.25 1.67 0.04 -1.26 -0.65 135.00 140.66 3frp s PRO 208 Ca -0.04 1.50 -0.04 0.00 0.04 0.00 0.00 61.00 62.46 3frp s PRO 208 Cb -0.18 -2.63 0.39 0.00 0.04 0.00 0.00 34.50 32.12 3frp s PRO 208 CO -0.07 -0.05 1.83 0.66 0.04 0.00 0.00 177.00 179.42 3frp h SER 209 N 2.69 0.80 -5.32 6.66 4.64 -1.58 -3.45 113.55 117.99 3frp h SER 209 Ca -0.48 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 60.73 3frp h SER 209 Cb 1.21 -0.13 -0.14 0.00 -0.31 0.00 0.00 62.40 63.03 3frp h SER 209 CO 0.63 0.48 -0.58 -1.61 -0.87 0.00 0.00 176.83 174.88 3frp s GLU 210 N -6.04 0.86 0.00 4.77 0.41 -1.26 -5.03 118.70 112.41 3frp s GLU 210 Ca -0.12 -1.28 0.20 0.00 -0.41 0.00 0.00 54.97 53.36 3frp s GLU 210 Cb 0.19 0.26 1.03 0.00 -1.78 0.00 0.00 34.13 33.84 3frp s GLU 210 CO 0.79 -0.24 1.69 1.17 -0.49 0.00 0.00 175.26 178.18 3frp n LYS 211 N -0.05 1.27 -3.90 1.61 3.00 -1.26 -4.90 118.16 113.94 3frp n LYS 211 Ca -0.09 -0.40 -0.09 0.00 -0.00 0.00 0.00 58.31 57.73 3frp n LYS 211 Cb 0.63 -1.34 -0.04 0.00 0.00 0.00 0.00 35.03 34.27 3frp n LYS 211 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 3frp s PHE 212 N -1.93 0.12 -0.03 5.64 -0.12 -1.26 -4.31 117.98 116.08 3frp s PHE 212 Ca 0.31 -0.50 0.00 0.00 -0.05 0.00 0.00 56.93 56.70 3frp s PHE 212 Cb 0.15 0.34 0.03 0.00 -0.63 0.00 0.00 43.02 42.90 3frp s PHE 212 CO 0.24 -1.00 -0.00 0.12 -0.05 0.00 0.00 175.22 174.53 3frp s PHE 213 N -3.95 0.36 -0.14 3.49 5.36 -0.76 -4.95 117.98 117.39 3frp s PHE 213 Ca 0.16 -0.02 -0.29 0.00 -0.96 0.00 0.00 56.93 55.82 3frp s PHE 213 Cb -0.02 -0.45 -0.02 0.00 -0.34 0.00 0.00 43.02 42.20 3frp s PHE 213 CO 0.05 -0.14 1.33 0.71 -1.46 0.00 0.00 175.22 175.70 3frp s TYR 214 N 1.06 2.71 0.44 10.12 2.02 -1.26 -0.12 117.35 132.31 3frp s TYR 214 Ca -0.09 0.88 0.24 0.00 -0.37 0.00 0.00 57.07 57.72 3frp s TYR 214 Cb -0.14 -3.57 1.23 0.00 -0.40 0.00 0.00 41.96 39.09 3frp s TYR 214 CO -0.02 -2.06 1.77 0.82 -1.57 0.00 0.00 175.55 174.49 3frp h ILE 215 N 5.48 0.47 -0.38 2.71 2.04 -1.30 -2.54 117.51 123.99 3frp h ILE 215 Ca -0.29 -0.09 -0.28 0.00 1.00 0.00 0.00 64.86 65.20 3frp h ILE 215 Cb 1.12 0.17 -0.36 0.00 -0.74 0.00 0.00 36.82 37.00 3frp h ILE 215 CO 0.96 0.05 -0.96 -0.90 0.00 0.00 0.00 178.15 177.30 3frp n ASP 216 N -4.53 2.33 -3.99 1.72 5.68 -1.26 -5.05 116.55 111.45 3frp n ASP 216 Ca 0.26 -2.67 -0.16 0.00 -0.50 0.00 0.00 54.79 51.73 3frp n ASP 216 Cb 1.00 -0.42 0.07 0.00 -1.14 0.00 0.00 41.12 40.64 3frp n ASP 216 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3frp n GLY 217 N -0.47 1.25 0.41 6.12 0.00 -0.96 -5.06 105.19 106.48 3frp n GLY 217 Ca 0.18 -2.10 0.06 0.00 0.00 0.00 0.00 46.02 44.16 3frp n GLY 217 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3frp n ASN 218 N -2.74 1.42 -4.87 1.61 6.94 -1.26 -5.04 115.26 111.32 3frp n ASN 218 Ca 0.12 -2.77 -0.32 0.00 -0.02 0.00 0.00 54.58 51.59 3frp n ASN 218 Cb 0.43 -0.36 -0.05 0.00 -2.36 0.00 0.00 39.78 37.44 3frp n ASN 218 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 3frp s GLU 219 N -1.79 3.83 0.70 -3.83 1.03 -1.26 -4.94 118.70 112.45 3frp s GLU 219 Ca 0.23 0.36 -0.11 0.00 0.03 0.00 0.00 54.97 55.48 3frp s GLU 219 Cb 0.22 -2.57 0.01 0.00 -0.80 0.00 0.00 34.13 30.99 3frp s GLU 219 CO -0.01 0.24 1.09 -0.80 -1.33 0.00 0.00 175.26 174.45 3frp s ASN 220 N -2.49 5.47 -0.09 0.83 0.01 -1.26 -4.56 114.94 112.86 3frp s ASN 220 Ca 0.49 1.16 0.04 0.00 -0.71 0.00 0.00 52.86 53.84 3frp s ASN 220 Cb -0.11 -1.97 -0.01 0.00 0.41 0.00 0.00 41.25 39.58 3frp s ASN 220 CO 0.22 -1.33 -0.22 0.12 -1.51 0.00 0.00 177.10 174.39 3frp s PHE 221 N -3.34 2.57 0.10 2.20 5.36 -0.25 -4.98 117.98 119.64 3frp s PHE 221 Ca 0.58 -0.78 0.10 0.00 -0.96 0.00 0.00 56.93 55.87 3frp s PHE 221 Cb -0.11 -1.69 -0.04 0.00 -0.34 0.00 0.00 43.02 40.85 3frp s PHE 221 CO 0.52 -0.26 -0.24 -1.01 -1.46 0.00 0.00 175.22 172.77 3frp s HIS 222 N 0.07 2.39 -0.10 10.12 3.76 -1.26 0.54 115.29 130.80 3frp s HIS 222 Ca -0.09 -0.35 -0.00 0.00 -0.15 0.00 0.00 55.06 54.47 3frp s HIS 222 Cb -0.15 -1.32 0.02 0.00 1.11 0.00 0.00 32.58 32.23 3frp s HIS 222 CO 0.06 0.30 -0.08 0.08 -0.85 0.00 0.00 174.74 174.25 3frp s VAL 223 N -1.01 0.97 -0.21 -0.90 1.01 0.12 -1.26 120.40 119.12 3frp s VAL 223 Ca 0.14 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.62 3frp s VAL 223 Cb -0.10 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 3frp s VAL 223 CO 0.06 0.35 0.72 -0.44 0.00 0.00 0.00 175.10 175.79 3frp s SER 224 N 1.53 6.76 -0.20 3.32 0.01 0.18 -0.22 113.70 125.08 3frp s SER 224 Ca 0.01 0.93 -0.11 0.00 1.31 0.00 0.00 55.95 58.10 3frp s SER 224 Cb -0.13 -2.39 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 3frp s SER 224 CO -0.06 -0.37 0.16 -0.63 0.41 0.00 0.00 173.24 172.75 3frp s ILE 225 N 2.28 5.39 -0.16 1.44 1.01 0.98 0.04 121.20 132.18 3frp s ILE 225 Ca 0.32 0.24 0.00 0.00 0.00 0.00 0.00 60.65 61.21 3frp s ILE 225 Cb -0.16 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.82 3frp s ILE 225 CO 0.10 0.41 -0.16 -0.89 0.00 0.00 0.00 174.94 174.40 3frp s THR 226 N 0.52 2.57 -0.16 2.92 2.01 0.45 -2.35 115.64 121.60 3frp s THR 226 Ca 0.09 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.29 3frp s THR 226 Cb -0.12 -2.08 0.03 0.00 0.01 0.00 0.00 72.50 70.34 3frp s THR 226 CO -0.00 0.52 -0.09 0.00 -0.69 0.00 0.00 174.62 174.36 3frp s ALA 227 N 0.91 1.65 -0.02 7.40 0.00 -0.47 -0.22 121.76 131.00 3frp s ALA 227 Ca -0.04 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.08 3frp s ALA 227 Cb -0.15 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.88 3frp s ALA 227 CO -0.02 -0.61 -0.08 0.50 0.00 0.00 0.00 175.76 175.55 3frp s ARG 228 N 1.56 0.87 0.90 0.00 3.52 -0.91 -1.74 118.95 123.16 3frp s ARG 228 Ca 0.02 -0.27 -0.11 0.00 -0.13 0.00 0.00 55.73 55.24 3frp s ARG 228 Cb -0.14 -0.83 0.11 0.00 -1.56 0.00 0.00 34.95 32.53 3frp s ARG 228 CO -0.09 0.09 1.00 0.66 -0.81 0.00 0.00 175.30 176.15 3frp n TYR 229 N 3.33 0.43 0.31 5.12 4.01 -0.20 -1.56 117.16 128.60 3frp n TYR 229 Ca -0.18 0.37 0.16 0.00 -0.16 0.00 0.00 57.90 58.08 3frp n TYR 229 Cb 0.54 -1.97 0.72 0.00 -0.31 0.00 0.00 39.34 38.32 3frp n TYR 229 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3frp h LEU 230 N -1.63 0.00 0.00 7.72 3.38 -1.47 -2.50 115.31 120.81 3frp h LEU 230 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3frp h LEU 230 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3frp h LEU 230 CO 0.41 0.00 -1.41 0.00 0.09 0.00 0.00 178.44 177.53 3frp n TYR 231 N -2.76 0.02 0.00 1.13 0.18 -1.26 -5.00 117.16 109.47 3frp n TYR 231 Ca 0.00 0.01 0.00 0.00 1.88 0.00 0.00 57.90 59.79 3frp n TYR 231 Cb 0.21 -0.24 0.00 0.00 -0.38 0.00 0.00 39.34 38.93 3frp n TYR 231 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3frp n GLY 232 N 1.39 3.32 3.60 -7.48 0.00 -0.94 -5.14 105.19 99.93 3frp n GLY 232 Ca 0.01 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 3frp n GLY 232 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3frp s GLU 233 N 0.00 0.19 0.47 1.61 2.56 -1.26 -4.65 118.70 117.62 3frp s GLU 233 Ca 0.00 1.27 -0.19 0.00 0.00 0.00 0.00 54.97 56.04 3frp s GLU 233 Cb 0.00 -1.65 -0.10 0.00 2.00 0.00 0.00 34.13 34.38 3frp s GLU 233 CO 0.00 -3.10 0.97 -1.21 -0.56 0.00 0.00 175.26 171.36 3frp s GLU 234 N -4.57 4.07 0.07 4.30 0.41 -1.26 -1.04 118.70 120.68 3frp s GLU 234 Ca 0.67 1.10 -0.15 0.00 -0.41 0.00 0.00 54.97 56.19 3frp s GLU 234 Cb -0.24 -2.15 -0.06 0.00 -1.78 0.00 0.00 34.13 29.90 3frp s GLU 234 CO 0.61 -0.17 0.48 0.08 -0.49 0.00 0.00 175.26 175.76 3frp s VAL 235 N -2.30 4.93 -0.01 2.63 1.01 -0.71 -4.70 120.40 121.25 3frp s VAL 235 Ca 0.62 0.85 0.01 0.00 0.00 0.00 0.00 61.98 63.46 3frp s VAL 235 Cb -0.10 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3frp s VAL 235 CO 0.20 0.44 -0.02 -1.61 0.00 0.00 0.00 175.10 174.11 3frp s GLU 236 N -1.45 2.76 0.00 2.72 0.41 -1.26 -1.44 118.70 120.43 3frp s GLU 236 Ca 0.30 -0.61 0.00 0.00 -0.41 0.00 0.00 54.97 54.25 3frp s GLU 236 Cb -0.16 -2.64 0.00 0.00 -1.78 0.00 0.00 34.13 29.54 3frp s GLU 236 CO 0.17 0.63 0.00 0.41 -0.49 0.00 0.00 175.26 175.98 3frp n GLY 237 N 1.52 -0.23 3.31 -1.39 0.00 -0.89 -0.25 105.19 107.26 3frp n GLY 237 Ca -0.15 -1.14 -0.18 0.00 0.00 0.00 0.00 46.02 44.55 3frp n GLY 237 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3frp s VAL 238 N -3.37 1.58 0.08 1.61 -7.23 -0.95 0.18 120.40 112.29 3frp s VAL 238 Ca 0.00 -2.05 0.07 0.00 -1.81 0.00 0.00 61.98 58.19 3frp s VAL 238 Cb 0.00 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 3frp s VAL 238 CO 0.00 -0.54 -0.19 0.00 -0.31 0.00 0.00 175.10 174.06 3frp s ALA 239 N -2.73 1.61 -0.19 1.32 0.00 0.41 -1.72 121.76 120.47 3frp s ALA 239 Ca 0.18 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.02 3frp s ALA 239 Cb -0.02 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.89 3frp s ALA 239 CO 0.05 0.32 -0.17 -0.06 0.00 0.00 0.00 175.76 175.90 3frp s PHE 240 N -1.08 2.84 -0.06 0.00 0.40 -0.12 -1.37 117.98 118.60 3frp s PHE 240 Ca 0.05 -1.58 0.05 0.00 -0.60 0.00 0.00 56.93 54.84 3frp s PHE 240 Cb -0.10 -1.95 -0.00 0.00 0.51 0.00 0.00 43.02 41.48 3frp s PHE 240 CO 0.03 -0.77 -0.21 0.08 0.70 0.00 0.00 175.22 175.05 3frp s VAL 241 N 1.31 1.75 -0.06 -0.44 1.01 -0.96 -1.21 120.40 121.81 3frp s VAL 241 Ca 0.04 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3frp s VAL 241 Cb -0.14 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.75 3frp s VAL 241 CO -0.11 0.49 -0.11 -0.22 0.00 0.00 0.00 175.10 175.16 3frp s LEU 242 N 0.07 1.62 0.12 3.92 2.96 -0.66 -2.26 118.68 124.44 3frp s LEU 242 Ca -0.07 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 3frp s LEU 242 Cb -0.14 -0.73 -0.05 0.00 0.50 0.00 0.00 46.19 45.77 3frp s LEU 242 CO 0.04 0.03 0.31 -0.36 -1.32 0.00 0.00 176.35 175.05 3frp s PHE 243 N 0.62 3.49 0.00 5.38 0.40 -1.26 -0.89 117.98 125.72 3frp s PHE 243 Ca -0.12 0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.60 3frp s PHE 243 Cb -0.15 -1.88 0.00 0.00 0.51 0.00 0.00 43.02 41.51 3frp s PHE 243 CO 0.03 0.49 0.00 0.41 0.70 0.00 0.00 175.22 176.85 3frp n GLY 244 N 0.06 2.84 2.97 4.36 0.00 -0.06 -1.34 105.19 114.02 3frp n GLY 244 Ca -0.04 -1.17 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 3frp n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3frp s VAL 245 N -2.62 0.79 -0.43 1.61 1.01 -0.39 -1.98 120.40 118.39 3frp s VAL 245 Ca 0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 3frp s VAL 245 Cb 0.00 -0.74 0.09 0.00 0.00 0.00 0.00 36.38 35.74 3frp s VAL 245 CO 0.00 0.27 0.27 -0.75 0.00 0.00 0.00 175.10 174.88 3frp s LYS 246 N 0.54 2.48 -0.60 2.72 2.20 -0.32 0.75 119.74 127.50 3frp s LYS 246 Ca -0.09 -1.59 -0.24 0.00 -0.36 0.00 0.00 55.97 53.70 3frp s LYS 246 Cb -0.12 -3.77 0.05 0.00 -1.51 0.00 0.00 37.83 32.48 3frp s LYS 246 CO 0.01 -1.02 0.98 0.42 -0.36 0.00 0.00 175.35 175.38 3frp s ILE 247 N 1.36 4.31 0.00 5.43 1.01 0.67 -3.29 121.20 130.69 3frp s ILE 247 Ca 0.04 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.77 3frp s ILE 247 Cb -0.24 -4.62 0.00 0.00 0.01 0.00 0.00 42.46 37.61 3frp s ILE 247 CO 0.00 -1.29 0.00 0.47 0.00 0.00 0.00 174.94 174.12 3frp n ASP 248 N 7.71 0.00 -0.02 3.58 9.92 -1.26 -1.29 116.55 135.19 3frp n ASP 248 Ca -0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 3frp n ASP 248 Cb 0.47 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.93 3frp n ASP 248 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3frp n ASP 249 N 0.00 1.98 -4.77 -2.24 9.92 -1.26 -5.07 116.55 115.11 3frp n ASP 249 Ca 0.00 0.01 -0.38 0.00 -0.53 0.00 0.00 54.79 53.90 3frp n ASP 249 Cb 0.00 -0.08 -0.05 0.00 -0.64 0.00 0.00 41.12 40.34 3frp n ASP 249 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3frp s ALA 250 N -2.07 3.22 -0.19 2.24 0.00 -0.41 -5.06 121.76 119.49 3frp s ALA 250 Ca -0.05 0.64 -0.07 0.00 0.00 0.00 0.00 51.96 52.49 3frp s ALA 250 Cb 0.02 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3frp s ALA 250 CO 0.07 0.02 0.05 0.15 0.00 0.00 0.00 175.76 176.05 3frp s LYS 251 N -1.98 3.89 -0.27 0.00 1.02 -1.26 -0.24 119.74 120.89 3frp s LYS 251 Ca 0.50 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 56.13 3frp s LYS 251 Cb -0.23 -3.20 0.07 0.00 -0.52 0.00 0.00 37.83 33.96 3frp s LYS 251 CO 0.29 0.19 -0.04 0.15 -0.92 0.00 0.00 175.35 175.01 3frp s LYS 252 N 0.59 1.79 1.00 1.68 1.02 0.23 -4.95 119.74 121.10 3frp s LYS 252 Ca 0.02 -1.35 -0.13 0.00 0.02 0.00 0.00 55.97 54.53 3frp s LYS 252 Cb -0.13 -2.82 0.19 0.00 -0.52 0.00 0.00 37.83 34.55 3frp s LYS 252 CO 0.01 -0.69 1.12 -1.54 -0.92 0.00 0.00 175.35 173.34 3frp s SER 253 N 1.17 2.66 -0.66 2.83 1.04 -1.26 -1.27 113.70 118.22 3frp s SER 253 Ca -0.02 0.98 0.05 0.00 0.48 0.00 0.00 55.95 57.44 3frp s SER 253 Cb -0.19 -1.54 0.18 0.00 0.10 0.00 0.00 66.02 64.57 3frp s SER 253 CO -0.07 -3.08 0.52 -0.38 0.98 0.00 0.00 173.24 171.21 3frp n ILE 254 N -4.12 1.39 -0.08 -1.02 5.41 -0.45 -4.82 119.36 115.66 3frp n ILE 254 Ca 0.07 -4.75 0.24 0.00 1.00 0.00 0.00 62.75 59.31 3frp n ILE 254 Cb 0.58 -2.11 0.50 0.00 -0.71 0.00 0.00 39.64 37.90 3frp n ILE 254 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3frp h PRO 255 N 5.18 0.00 -0.06 0.38 0.10 -1.96 0.67 132.00 136.31 3frp h PRO 255 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.27 3frp h PRO 255 Cb 0.76 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.86 3frp h PRO 255 CO 0.69 0.00 0.00 -0.25 0.10 0.00 0.00 178.00 178.54 3frp n ASP 256 N -3.29 1.79 -0.10 -2.05 8.00 -1.26 -3.78 116.55 115.87 3frp n ASP 256 Ca 0.17 -1.62 -0.08 0.00 0.71 0.00 0.00 54.79 53.97 3frp n ASP 256 Cb 1.24 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 42.30 3frp n ASP 256 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3frp h SER 257 N 2.70 0.32 0.00 -2.24 0.02 0.03 -3.46 113.55 110.92 3frp h SER 257 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 3frp h SER 257 Cb 0.58 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.00 3frp h SER 257 CO 0.00 0.23 1.37 -0.11 -1.14 0.00 0.00 176.83 177.19 3frp n LEU 258 N -4.90 0.54 -4.23 5.07 7.94 -1.25 -4.83 117.00 115.34 3frp n LEU 258 Ca -0.00 0.46 -0.23 0.00 -1.11 0.00 0.00 56.01 55.12 3frp n LEU 258 Cb 0.05 -0.84 -0.13 0.00 0.53 0.00 0.00 43.42 43.03 3frp n LEU 258 CO 0.33 -0.70 -0.50 0.42 -1.11 0.00 0.00 177.39 175.83 3frp s THR 259 N 6.59 1.49 -0.24 1.96 -4.23 -0.96 -5.01 115.64 115.24 3frp s THR 259 Ca 1.17 -1.29 -0.07 0.00 -1.18 0.00 0.00 61.69 60.32 3frp s THR 259 Cb -1.31 -1.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.17 3frp s THR 259 CO 0.55 0.01 0.05 -0.60 -0.54 0.00 0.00 174.62 174.10 3frp s ARG 260 N -1.50 3.63 -0.02 3.99 3.52 -1.26 -2.26 118.95 125.05 3frp s ARG 260 Ca 0.05 -0.49 0.06 0.00 -0.13 0.00 0.00 55.73 55.21 3frp s ARG 260 Cb -0.09 -3.26 -0.01 0.00 -1.56 0.00 0.00 34.95 30.02 3frp s ARG 260 CO 0.03 -0.16 -0.19 0.96 -0.81 0.00 0.00 175.30 175.12 3frp s ILE 261 N 1.51 1.54 0.39 4.11 -4.36 -0.47 -4.96 121.20 118.97 3frp s ILE 261 Ca 0.06 -0.82 -0.26 0.00 -0.26 0.00 0.00 60.65 59.36 3frp s ILE 261 Cb -0.15 -1.29 -0.09 0.00 1.25 0.00 0.00 42.46 42.19 3frp s ILE 261 CO 0.03 0.44 1.24 -2.16 0.24 0.00 0.00 174.94 174.72 3frp s PRO 262 N -0.38 4.07 -0.51 0.37 0.04 -1.26 -0.44 135.00 136.88 3frp s PRO 262 Ca 0.06 2.01 -0.14 0.00 0.04 0.00 0.00 61.00 62.97 3frp s PRO 262 Cb -0.08 -2.77 0.12 0.00 0.04 0.00 0.00 34.50 31.80 3frp s PRO 262 CO -0.00 -0.36 0.45 0.42 0.04 0.00 0.00 177.00 177.54 3frp s ILE 263 N -1.31 4.99 -0.21 0.56 -1.09 0.47 -4.58 121.20 120.03 3frp s ILE 263 Ca 0.56 -1.48 -0.07 0.00 -2.23 0.00 0.00 60.65 57.43 3frp s ILE 263 Cb -0.35 -4.17 -0.03 0.00 -1.58 0.00 0.00 42.46 36.33 3frp s ILE 263 CO 0.45 -0.79 0.05 0.27 -1.23 0.00 0.00 174.94 173.68 3frp s ILE 264 N 1.55 4.41 -1.46 2.92 -4.36 -0.58 -2.10 121.20 121.58 3frp s ILE 264 Ca 0.04 -0.16 -0.11 0.00 -0.26 0.00 0.00 60.65 60.16 3frp s ILE 264 Cb -0.28 -3.01 0.07 0.00 1.25 0.00 0.00 42.46 40.49 3frp s ILE 264 CO 0.03 0.41 0.74 -0.67 0.24 0.00 0.00 174.94 175.69 3frp n ASP 265 N 4.19 -4.62 -0.10 4.36 2.03 -1.26 -1.35 116.55 119.79 3frp n ASP 265 Ca -0.16 -0.56 -0.01 0.00 0.52 0.00 0.00 54.79 54.57 3frp n ASP 265 Cb 0.52 -3.74 -0.01 0.00 -0.72 0.00 0.00 41.12 37.18 3frp n ASP 265 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3frp n GLY 266 N -1.47 0.44 3.33 0.27 0.00 -0.52 -4.82 105.19 102.42 3frp n GLY 266 Ca -0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 3frp n GLY 266 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3frp s ASP 267 N -2.17 3.09 -0.16 1.61 -0.00 -0.46 -1.37 116.67 117.21 3frp s ASP 267 Ca 0.00 -0.59 -0.30 0.00 -0.00 0.00 0.00 52.55 51.66 3frp s ASP 267 Cb 0.00 -0.27 0.13 0.00 -0.00 0.00 0.00 42.92 42.77 3frp s ASP 267 CO 0.00 0.24 1.01 -0.83 -0.00 0.00 0.00 175.17 175.59 3frp s GLY 268 N -1.27 -0.27 -0.11 0.21 0.00 -0.99 -1.53 107.32 103.36 3frp s GLY 268 Ca 0.11 1.99 -0.00 0.00 0.00 0.00 0.00 44.72 46.82 3frp s GLY 268 CO 0.02 0.98 -0.07 1.25 0.00 0.00 0.00 173.10 175.28 3frp s LYS 269 N -1.24 1.46 -0.07 2.90 2.20 -1.26 -0.02 119.74 123.72 3frp s LYS 269 Ca -0.01 -0.23 -0.00 0.00 -0.36 0.00 0.00 55.97 55.37 3frp s LYS 269 Cb -0.01 -1.54 -0.03 0.00 -1.51 0.00 0.00 37.83 34.75 3frp s LYS 269 CO 0.01 -0.26 -0.03 0.00 -0.36 0.00 0.00 175.35 174.70 3frp s ALA 270 N 1.70 3.14 -0.07 3.13 0.00 0.70 -4.94 121.76 125.41 3frp s ALA 270 Ca 0.04 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3frp s ALA 270 Cb -0.13 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.67 3frp s ALA 270 CO -0.08 0.59 -0.07 -0.08 0.00 0.00 0.00 175.76 176.12 3frp s THR 271 N -0.87 0.78 -0.29 0.00 -1.32 -1.26 0.16 115.64 112.84 3frp s THR 271 Ca 0.14 -0.23 -0.10 0.00 -1.21 0.00 0.00 61.69 60.29 3frp s THR 271 Cb -0.11 -0.79 -0.03 0.00 -1.51 0.00 0.00 72.50 70.06 3frp s THR 271 CO 0.03 0.29 0.17 -0.22 -2.21 0.00 0.00 174.62 172.68 3frp s LEU 272 N 1.12 3.98 0.41 9.08 2.96 0.19 -4.98 118.68 131.45 3frp s LEU 272 Ca -0.07 -0.20 -0.23 0.00 -0.22 0.00 0.00 54.13 53.41 3frp s LEU 272 Cb -0.14 -2.06 -0.09 0.00 0.50 0.00 0.00 46.19 44.40 3frp s LEU 272 CO -0.01 -0.10 1.02 -0.54 -1.32 0.00 0.00 176.35 175.40 3frp s LYS 273 N 1.70 4.15 0.06 1.98 1.02 -1.26 -1.09 119.74 126.30 3frp s LYS 273 Ca 0.06 1.39 -0.15 0.00 0.02 0.00 0.00 55.97 57.30 3frp s LYS 273 Cb -0.16 -2.42 -0.25 0.00 -0.52 0.00 0.00 37.83 34.48 3frp s LYS 273 CO 0.09 -0.13 1.15 -0.09 -0.92 0.00 0.00 175.35 175.45 3frp h ARG 274 N 2.28 0.67 0.00 1.68 2.43 -1.92 -2.67 114.38 116.85 3frp h ARG 274 Ca -0.48 -0.77 -0.01 0.00 -0.81 0.00 0.00 59.98 57.91 3frp h ARG 274 Cb 1.21 0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.99 3frp h ARG 274 CO 0.62 1.34 -0.03 0.38 -1.51 0.00 0.00 179.97 180.76 3frp h ASP 275 N 0.33 0.00 0.48 -3.80 3.04 -1.95 0.64 116.42 115.16 3frp h ASP 275 Ca -0.15 0.00 -0.24 0.00 -3.24 0.00 0.00 57.03 53.40 3frp h ASP 275 Cb 1.75 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.05 3frp h ASP 275 CO 0.21 0.03 -1.06 0.74 -2.04 0.00 0.00 179.24 177.12 3frp h THR 276 N 0.00 1.45 -0.17 1.15 2.02 -1.96 -2.31 112.91 113.09 3frp h THR 276 Ca -0.00 -2.71 -0.08 0.00 0.77 0.00 0.00 66.41 64.39 3frp h THR 276 Cb 0.19 2.64 -0.00 0.00 -1.74 0.00 0.00 68.15 69.24 3frp h THR 276 CO 0.00 0.80 -0.20 0.15 0.37 0.00 0.00 175.52 176.64 3frp h PHE 277 N 0.15 0.53 -0.03 3.16 3.04 -0.32 -3.13 116.94 120.35 3frp h PHE 277 Ca -0.10 -0.17 0.02 0.00 3.98 0.00 0.00 57.97 61.70 3frp h PHE 277 Cb 1.73 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 40.12 3frp h PHE 277 CO 0.06 0.83 -0.07 0.00 -2.02 0.00 0.00 178.31 177.11 3frp h ARG 278 N 0.08 -0.11 -1.16 1.11 3.08 0.02 0.20 114.38 117.60 3frp h ARG 278 Ca 0.02 0.01 0.33 0.00 0.07 0.00 0.00 59.98 60.41 3frp h ARG 278 Cb 0.76 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.77 3frp h ARG 278 CO 0.05 -0.07 0.82 0.77 -1.07 0.00 0.00 179.97 180.47 3frp h SER 279 N -0.11 0.09 0.00 7.04 0.02 -1.47 -1.80 113.55 117.32 3frp h SER 279 Ca 0.04 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3frp h SER 279 Cb 0.16 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 3frp h SER 279 CO -0.10 0.01 -1.76 -1.14 -1.14 0.00 0.00 176.83 172.70 3frp n ARG 280 N -4.27 0.51 -3.61 3.45 3.00 -0.97 -4.75 116.66 110.02 3frp n ARG 280 Ca 0.26 -0.15 -0.28 0.00 -0.00 0.00 0.00 57.85 57.68 3frp n ARG 280 Cb 1.18 -1.39 -0.12 0.00 0.00 0.00 0.00 32.46 32.13 3frp n ARG 280 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3frp s PHE 281 N -3.14 1.90 -0.61 -0.14 0.40 0.66 -5.11 117.98 111.95 3frp s PHE 281 Ca -0.06 -2.53 -0.00 0.00 -0.60 0.00 0.00 56.93 53.74 3frp s PHE 281 Cb 0.11 -1.62 0.49 0.00 0.51 0.00 0.00 43.02 42.51 3frp s PHE 281 CO 0.69 -0.75 1.96 -0.35 0.70 0.00 0.00 175.22 177.47 3frp n PRO 282 N 2.94 2.65 0.00 0.24 -0.04 -1.15 -4.53 135.00 135.11 3frp n PRO 282 Ca 0.20 -3.29 0.00 0.00 -0.04 0.00 0.00 63.50 60.37 3frp n PRO 282 Cb 0.40 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 3frp n PRO 282 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3frp n LEU 287 N -0.95 0.00 -4.68 1.53 4.77 -1.26 -5.15 117.00 111.26 3frp n LEU 287 Ca 0.61 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 56.14 3frp n LEU 287 Cb 0.85 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.91 3frp n LEU 287 CO 0.73 0.00 1.16 0.52 -1.33 0.00 0.00 177.39 178.47 3frp n VAL 288 N 0.00 0.32 -0.90 4.08 0.31 -1.26 -2.85 118.33 118.04 3frp n VAL 288 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3frp n VAL 288 Cb 0.00 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 3frp n VAL 288 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3frp n GLY 289 N 3.02 0.50 3.78 2.92 0.00 -1.26 -5.04 105.19 109.11 3frp n GLY 289 Ca 0.15 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 3frp n GLY 289 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3frp s HIS 290 N -2.00 1.89 0.06 1.61 4.02 -1.13 -4.79 115.29 114.95 3frp s HIS 290 Ca 0.00 -0.90 0.08 0.00 1.02 0.00 0.00 55.06 55.26 3frp s HIS 290 Cb 0.00 -1.70 -0.03 0.00 -1.02 0.00 0.00 32.58 29.84 3frp s HIS 290 CO 0.00 0.11 -0.21 0.95 1.02 0.00 0.00 174.74 176.61 3frp s THR 291 N -2.83 1.69 0.07 1.30 -4.23 -1.21 -0.45 115.64 109.98 3frp s THR 291 Ca 0.14 -1.32 -0.24 0.00 -1.18 0.00 0.00 61.69 59.09 3frp s THR 291 Cb 0.02 -1.50 -0.06 0.00 1.34 0.00 0.00 72.50 72.30 3frp s THR 291 CO 0.08 0.12 0.73 -0.22 -0.54 0.00 0.00 174.62 174.79 3frp s LEU 292 N -1.44 4.48 0.07 4.79 0.20 0.25 -1.18 118.68 125.87 3frp s LEU 292 Ca 0.07 1.44 0.06 0.00 0.69 0.00 0.00 54.13 56.40 3frp s LEU 292 Cb -0.09 -3.18 -0.03 0.00 -0.43 0.00 0.00 46.19 42.46 3frp s LEU 292 CO 0.03 0.08 -0.17 -0.72 -0.29 0.00 0.00 176.35 175.28 3frp s TYR 293 N -0.37 1.50 -0.10 5.38 -0.85 -0.83 -3.03 117.35 119.05 3frp s TYR 293 Ca 0.36 -0.41 0.02 0.00 -0.52 0.00 0.00 57.07 56.52 3frp s TYR 293 Cb -0.21 -0.85 0.01 0.00 0.38 0.00 0.00 41.96 41.30 3frp s TYR 293 CO 0.23 0.11 -0.14 0.00 -1.52 0.00 0.00 175.55 174.22 3frp s ALA 294 N -1.10 1.61 -0.20 9.51 0.00 -0.34 -0.88 121.76 130.36 3frp s ALA 294 Ca 0.03 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 3frp s ALA 294 Cb -0.09 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 3frp s ALA 294 CO 0.03 -0.06 0.21 0.45 0.00 0.00 0.00 175.76 176.39 3frp s SER 295 N 0.98 6.27 -0.07 0.00 0.15 -0.07 -0.56 113.70 120.40 3frp s SER 295 Ca -0.07 0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.90 3frp s SER 295 Cb -0.15 -2.14 0.02 0.00 -1.71 0.00 0.00 66.02 62.04 3frp s SER 295 CO -0.01 0.10 -0.10 0.54 1.20 0.00 0.00 173.24 174.97 3frp s VAL 296 N 0.69 0.98 -0.24 4.45 0.11 -0.39 -1.66 120.40 124.35 3frp s VAL 296 Ca 0.11 -0.37 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 3frp s VAL 296 Cb -0.13 -0.93 0.06 0.00 -1.53 0.00 0.00 36.38 33.85 3frp s VAL 296 CO 0.02 0.33 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.19 3frp s THR 297 N 0.89 1.50 -0.14 5.04 2.01 -0.35 -1.55 115.64 123.04 3frp s THR 297 Ca -0.11 -1.22 -0.06 0.00 0.31 0.00 0.00 61.69 60.62 3frp s THR 297 Cb -0.15 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 3frp s THR 297 CO 0.01 -0.12 0.06 -0.69 -0.69 0.00 0.00 174.62 173.19 3frp s VAL 298 N 1.40 4.77 -0.07 3.82 1.01 -0.28 -0.94 120.40 130.11 3frp s VAL 298 Ca -0.05 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.91 3frp s VAL 298 Cb -0.19 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.10 3frp s VAL 298 CO -0.07 0.54 -0.20 -0.32 0.00 0.00 0.00 175.10 175.05 3frp s MET 299 N -0.29 2.34 0.56 2.72 1.75 -0.70 -0.71 119.30 124.97 3frp s MET 299 Ca 0.08 -0.72 -0.20 0.00 -1.25 0.00 0.00 55.69 53.60 3frp s MET 299 Cb -0.12 -1.89 -0.04 0.00 2.84 0.00 0.00 34.83 35.62 3frp s MET 299 CO 0.02 0.21 1.27 0.95 -0.65 0.00 0.00 175.02 176.81 3frp s THR 300 N 0.23 2.39 0.56 10.11 -4.23 -0.93 -2.24 115.64 121.53 3frp s THR 300 Ca -0.11 0.27 0.25 0.00 -1.18 0.00 0.00 61.69 60.92 3frp s THR 300 Cb -0.15 -3.12 0.35 0.00 1.34 0.00 0.00 72.50 70.91 3frp s THR 300 CO 0.05 -0.03 2.10 1.05 -0.54 0.00 0.00 174.62 177.25 3frp h GLU 301 N 1.22 0.00 0.00 3.99 4.11 -0.97 0.11 114.58 123.05 3frp h GLU 301 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 3frp h GLU 301 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3frp h GLU 301 CO 0.56 0.00 -0.36 -1.13 0.07 0.00 0.00 179.01 178.15 3frp n SER 302 N -4.09 0.63 0.00 3.06 3.41 -1.26 -4.93 113.62 110.43 3frp n SER 302 Ca 0.02 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 3frp n SER 302 Cb 0.32 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3frp n SER 302 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3frp n GLY 303 N 1.37 0.70 0.20 5.00 0.00 0.39 -4.96 105.19 107.89 3frp n GLY 303 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 3frp n GLY 303 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3frp h SER 304 N 0.00 0.37 -4.99 1.61 4.64 -1.92 -3.46 113.55 109.79 3frp h SER 304 Ca 0.00 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3frp h SER 304 Cb 0.00 -0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 61.95 3frp h SER 304 CO 0.00 0.26 0.24 1.51 -0.87 0.00 0.00 176.83 177.96 3frp s ASP 305 N -5.50 -0.45 0.27 4.97 3.84 -1.26 -5.06 116.67 113.49 3frp s ASP 305 Ca -0.13 -0.21 0.02 0.00 -0.00 0.00 0.00 52.55 52.23 3frp s ASP 305 Cb 0.13 0.63 -0.06 0.00 -1.38 0.00 0.00 42.92 42.25 3frp s ASP 305 CO 0.73 -1.08 0.07 0.00 -0.00 0.00 0.00 175.17 174.89 3frp s MET 306 N -3.77 1.47 0.01 2.11 0.23 -1.26 -2.19 119.30 115.90 3frp s MET 306 Ca 0.05 -1.80 0.02 0.00 -1.03 0.00 0.00 55.69 52.93 3frp s MET 306 Cb -0.03 -0.51 -0.01 0.00 -1.53 0.00 0.00 34.83 32.75 3frp s MET 306 CO -0.06 -0.23 -0.05 0.08 -2.03 0.00 0.00 175.02 172.73 3frp s VAL 307 N -3.55 0.41 -0.22 5.16 1.01 0.11 -4.91 120.40 118.41 3frp s VAL 307 Ca 0.36 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3frp s VAL 307 Cb 0.08 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 36.12 3frp s VAL 307 CO 0.13 0.00 -0.13 -0.69 0.00 0.00 0.00 175.10 174.42 3frp s VAL 308 N -0.38 1.95 0.35 2.92 1.01 -1.26 -1.13 120.40 123.85 3frp s VAL 308 Ca -0.01 -1.24 0.04 0.00 0.00 0.00 0.00 61.98 60.77 3frp s VAL 308 Cb -0.04 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3frp s VAL 308 CO -0.00 0.18 0.13 0.42 0.00 0.00 0.00 175.10 175.83 3frp s THR 309 N 1.26 0.58 -0.01 3.92 -4.23 -0.59 -5.02 115.64 111.54 3frp s THR 309 Ca -0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 3frp s THR 309 Cb -0.17 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.19 3frp s THR 309 CO -0.08 0.00 0.00 -0.70 -0.54 0.00 0.00 174.62 173.30 3frp s GLU 310 N -3.79 0.12 -0.40 3.99 2.12 -1.26 -1.26 118.70 118.22 3frp s GLU 310 Ca 0.31 0.05 -0.20 0.00 0.36 0.00 0.00 54.97 55.49 3frp s GLU 310 Cb 0.05 -0.24 0.01 0.00 0.26 0.00 0.00 34.13 34.21 3frp s GLU 310 CO 0.16 -0.07 0.58 -1.14 -0.54 0.00 0.00 175.26 174.26 3frp s GLN 311 N 0.53 3.43 0.45 4.30 2.00 0.28 -4.98 119.66 125.67 3frp s GLN 311 Ca -0.05 -0.28 0.05 0.00 -2.00 0.00 0.00 55.36 53.09 3frp s GLN 311 Cb -0.07 -3.89 -0.05 0.00 0.80 0.00 0.00 33.01 29.80 3frp s GLN 311 CO -0.01 -0.84 0.05 -1.12 -0.50 0.00 0.00 175.29 172.87 3frp s SER 312 N 1.87 4.08 -0.48 6.67 0.01 -1.26 -1.20 113.70 123.39 3frp s SER 312 Ca 0.21 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 56.04 3frp s SER 312 Cb -0.15 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.03 3frp s SER 312 CO 0.16 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.79 3frp n GLY 313 N -1.15 0.21 3.37 3.44 0.00 -1.26 -4.99 105.19 104.81 3frp n GLY 313 Ca -0.09 -0.67 -0.46 0.00 0.00 0.00 0.00 46.02 44.80 3frp n GLY 313 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3frp s ILE 314 N -2.27 5.41 0.37 -0.61 1.09 -1.17 -4.74 121.20 119.28 3frp s ILE 314 Ca 0.00 -2.41 -0.28 0.00 -1.10 0.00 0.00 60.65 56.86 3frp s ILE 314 Cb 0.00 -4.60 -0.11 0.00 -1.06 0.00 0.00 42.46 36.69 3frp s ILE 314 CO 0.00 -1.22 1.44 -1.00 -0.10 0.00 0.00 174.94 174.06 3frp s HIS 315 N 0.69 2.69 -0.48 3.97 3.76 -1.26 0.88 115.29 125.54 3frp s HIS 315 Ca 0.26 1.23 -0.22 0.00 -0.15 0.00 0.00 55.06 56.17 3frp s HIS 315 Cb -0.08 -3.94 0.03 0.00 1.11 0.00 0.00 32.58 29.70 3frp s HIS 315 CO -0.08 -2.73 0.76 0.42 -0.85 0.00 0.00 174.74 172.26 3frp s ILE 316 N -1.13 4.67 0.27 0.60 1.01 0.40 -1.83 121.20 125.20 3frp s ILE 316 Ca 0.52 0.16 0.02 0.00 0.00 0.00 0.00 60.65 61.34 3frp s ILE 316 Cb -0.45 -4.34 -0.05 0.00 0.01 0.00 0.00 42.46 37.63 3frp s ILE 316 CO 0.61 -0.80 0.12 0.68 0.00 0.00 0.00 174.94 175.55 3frp s VAL 317 N 3.22 0.47 -0.22 2.92 -7.23 0.82 -4.38 120.40 115.99 3frp s VAL 317 Ca 0.26 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.51 3frp s VAL 317 Cb -0.14 -2.59 -0.21 0.00 0.56 0.00 0.00 36.38 34.00 3frp s VAL 317 CO 0.19 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 174.93 3frp n ALA 318 N -0.50 1.44 -2.44 1.32 0.00 -1.26 -0.90 120.51 118.17 3frp n ALA 318 Ca 0.00 -1.17 -0.27 0.00 0.00 0.00 0.00 53.44 52.00 3frp n ALA 318 Cb 0.66 -0.18 -0.15 0.00 0.00 0.00 0.00 19.45 19.78 3frp n ALA 318 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3frp s SER 319 N -6.10 2.61 0.32 0.00 0.15 -1.26 -4.60 113.70 104.82 3frp s SER 319 Ca -0.23 -0.50 0.24 0.00 0.70 0.00 0.00 55.95 56.17 3frp s SER 319 Cb 0.08 -0.24 1.15 0.00 -1.71 0.00 0.00 66.02 65.29 3frp s SER 319 CO 0.71 0.21 1.74 -0.65 1.20 0.00 0.00 173.24 176.45 3frp h PRO 320 N 5.06 0.00 -5.68 5.44 0.11 -1.93 -3.45 132.00 131.55 3frp h PRO 320 Ca -0.42 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.15 3frp h PRO 320 Cb 1.15 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.12 3frp h PRO 320 CO 0.45 0.00 -0.68 0.71 -0.21 0.00 0.00 178.00 178.27 3frp s TYR 321 N -3.47 2.10 -0.02 0.65 2.02 -1.26 -4.00 117.35 113.37 3frp s TYR 321 Ca 0.01 -0.62 0.01 0.00 -0.37 0.00 0.00 57.07 56.11 3frp s TYR 321 Cb 0.08 -1.18 0.01 0.00 -0.40 0.00 0.00 41.96 40.47 3frp s TYR 321 CO 0.33 0.40 -0.04 1.14 -1.57 0.00 0.00 175.55 175.81 3frp s GLN 322 N -3.68 0.55 0.10 -0.62 -2.07 -0.87 -4.71 119.66 108.36 3frp s GLN 322 Ca 0.30 -0.10 -0.23 0.00 -1.82 0.00 0.00 55.36 53.51 3frp s GLN 322 Cb 0.03 -0.59 -0.07 0.00 -1.09 0.00 0.00 33.01 31.29 3frp s GLN 322 CO 0.13 -0.01 0.70 0.42 -1.32 0.00 0.00 175.29 175.21 3frp s ILE 323 N 0.52 4.59 -0.00 3.63 -1.09 -1.26 -2.32 121.20 125.27 3frp s ILE 323 Ca -0.06 1.51 0.03 0.00 -2.23 0.00 0.00 60.65 59.91 3frp s ILE 323 Cb -0.09 -4.05 -0.01 0.00 -1.58 0.00 0.00 42.46 36.73 3frp s ILE 323 CO -0.00 0.49 -0.10 -1.00 -1.23 0.00 0.00 174.94 173.09 3frp s HIS 324 N -0.82 0.92 -0.22 3.97 3.76 0.34 -4.80 115.29 118.45 3frp s HIS 324 Ca 0.34 -0.19 0.15 0.00 -0.15 0.00 0.00 55.06 55.21 3frp s HIS 324 Cb -0.21 -0.59 0.65 0.00 1.11 0.00 0.00 32.58 33.54 3frp s HIS 324 CO 0.23 -0.01 1.57 1.19 -0.85 0.00 0.00 174.74 176.87 3frp n PHE 325 N 2.75 1.48 0.28 1.40 3.72 -1.26 -2.59 117.46 123.24 3frp n PHE 325 Ca -0.14 -0.88 0.15 0.00 -0.05 0.00 0.00 57.45 56.53 3frp n PHE 325 Cb 0.56 -0.42 0.83 0.00 -0.94 0.00 0.00 39.48 39.51 3frp n PHE 325 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3frp h THR 326 N 2.61 0.43 -0.46 4.37 1.35 -1.94 -2.74 112.91 116.53 3frp h THR 326 Ca 0.03 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3frp h THR 326 Cb 1.72 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 3frp h THR 326 CO 0.37 0.07 0.00 0.29 -0.25 0.00 0.00 175.52 176.00 3frp n LYS 327 N -3.55 3.08 -4.46 4.72 5.02 -1.26 -4.53 118.16 117.18 3frp n LYS 327 Ca -0.02 -2.49 -0.33 0.00 -2.02 0.00 0.00 58.31 53.45 3frp n LYS 327 Cb 0.19 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 33.53 3frp n LYS 327 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3frp s THR 328 N -1.53 3.88 0.42 -0.18 2.01 -1.03 -4.67 115.64 114.54 3frp s THR 328 Ca 0.37 -0.56 -0.26 0.00 0.31 0.00 0.00 61.69 61.56 3frp s THR 328 Cb 0.23 -2.66 -0.08 0.00 0.01 0.00 0.00 72.50 70.00 3frp s THR 328 CO 0.19 0.49 1.33 -2.84 -0.69 0.00 0.00 174.62 173.10 3frp s PRO 329 N -1.17 3.86 -0.03 4.92 0.02 -1.26 -4.46 135.00 136.88 3frp s PRO 329 Ca 0.16 2.21 0.14 0.00 0.02 0.00 0.00 61.00 63.52 3frp s PRO 329 Cb -0.11 -2.70 0.45 0.00 0.02 0.00 0.00 34.50 32.15 3frp s PRO 329 CO 0.05 -0.60 1.35 1.63 -0.33 0.00 0.00 177.00 179.10 3frp n LYS 330 N -0.01 2.42 -4.49 5.54 4.76 -1.26 -4.87 118.16 120.25 3frp n LYS 330 Ca 0.04 -1.81 -0.23 0.00 -2.87 0.00 0.00 58.31 53.45 3frp n LYS 330 Cb 0.43 -1.51 -0.14 0.00 -1.84 0.00 0.00 35.03 31.98 3frp n LYS 330 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3frp s TYR 331 N -1.52 1.57 0.30 2.13 2.02 -1.26 -1.40 117.35 119.19 3frp s TYR 331 Ca 0.33 -0.37 0.06 0.00 -0.37 0.00 0.00 57.07 56.72 3frp s TYR 331 Cb 0.19 -0.93 -0.06 0.00 -0.40 0.00 0.00 41.96 40.76 3frp s TYR 331 CO 0.19 0.08 -0.04 -0.59 -1.57 0.00 0.00 175.55 173.63 3frp s PHE 332 N -0.86 2.02 -0.38 2.71 -0.71 -1.07 -4.87 117.98 114.82 3frp s PHE 332 Ca 0.05 -0.73 -0.03 0.00 -1.04 0.00 0.00 56.93 55.18 3frp s PHE 332 Cb -0.09 -1.20 0.09 0.00 -1.21 0.00 0.00 43.02 40.61 3frp s PHE 332 CO 0.02 0.27 0.15 0.15 -1.34 0.00 0.00 175.22 174.46 3frp s LYS 333 N -3.75 2.14 0.17 1.99 3.01 -1.26 -0.89 119.74 121.16 3frp s LYS 333 Ca 0.31 -1.65 -0.33 0.00 -1.01 0.00 0.00 55.97 53.29 3frp s LYS 333 Cb 0.05 -3.48 -0.16 0.00 -1.01 0.00 0.00 37.83 33.23 3frp s LYS 333 CO 0.13 -0.94 1.17 -2.30 0.51 0.00 0.00 175.35 173.92 3frp n PRO 334 N 4.62 1.17 -0.31 -1.68 -0.02 -1.26 -0.79 135.00 136.73 3frp n PRO 334 Ca -0.05 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3frp n PRO 334 Cb 0.42 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3frp n PRO 334 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3frp n GLY 335 N 2.01 2.22 3.63 -1.23 0.00 -1.19 -4.89 105.19 105.75 3frp n GLY 335 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3frp n GLY 335 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3frp s MET 336 N -0.05 2.46 0.10 1.61 -1.94 0.03 -5.01 119.30 116.50 3frp s MET 336 Ca 0.00 -0.83 -0.31 0.00 -1.71 0.00 0.00 55.69 52.84 3frp s MET 336 Cb 0.00 -2.48 -0.08 0.00 2.01 0.00 0.00 34.83 34.28 3frp s MET 336 CO 0.00 0.56 1.56 -2.14 -0.01 0.00 0.00 175.02 174.99 3frp s PRO 337 N -1.90 4.23 0.05 2.03 0.02 -1.26 -4.58 135.00 133.59 3frp s PRO 337 Ca 0.21 2.26 -0.25 0.00 0.02 0.00 0.00 61.00 63.24 3frp s PRO 337 Cb -0.11 -3.40 -0.06 0.00 0.02 0.00 0.00 34.50 30.95 3frp s PRO 337 CO 0.13 -0.63 0.78 -0.47 -0.33 0.00 0.00 177.00 176.47 3frp s TYR 338 N 1.91 3.75 -0.56 6.54 5.04 0.03 -4.88 117.35 129.17 3frp s TYR 338 Ca 0.70 1.49 -0.19 0.00 -2.44 0.00 0.00 57.07 56.64 3frp s TYR 338 Cb -0.40 -2.83 0.09 0.00 0.35 0.00 0.00 41.96 39.18 3frp s TYR 338 CO 0.31 0.28 0.66 -1.21 -1.34 0.00 0.00 175.55 174.25 3frp s GLU 339 N -0.09 3.06 -0.35 4.97 2.02 -1.26 -0.72 118.70 126.33 3frp s GLU 339 Ca 0.39 -1.22 -0.23 0.00 0.02 0.00 0.00 54.97 53.92 3frp s GLU 339 Cb -0.21 -4.22 0.01 0.00 0.10 0.00 0.00 34.13 29.81 3frp s GLU 339 CO 0.23 -1.43 0.78 -1.17 0.02 0.00 0.00 175.26 173.70 3frp s LEU 340 N 2.59 4.12 -0.50 1.80 0.20 0.18 -4.71 118.68 122.36 3frp s LEU 340 Ca 0.12 0.43 -0.08 0.00 0.69 0.00 0.00 54.13 55.29 3frp s LEU 340 Cb -0.23 -3.03 0.13 0.00 -0.43 0.00 0.00 46.19 42.62 3frp s LEU 340 CO 0.08 -0.70 0.36 0.42 -0.29 0.00 0.00 176.35 176.22 3frp s THR 341 N 3.06 4.13 0.39 3.68 -4.23 -1.26 -0.12 115.64 121.28 3frp s THR 341 Ca 0.31 -1.96 -0.15 0.00 -1.18 0.00 0.00 61.69 58.71 3frp s THR 341 Cb -0.13 -3.72 -0.08 0.00 1.34 0.00 0.00 72.50 69.90 3frp s THR 341 CO 0.16 -0.79 0.82 0.54 -0.54 0.00 0.00 174.62 174.81 3frp s VAL 342 N 1.15 4.64 -0.05 2.29 0.11 -0.89 -3.96 120.40 123.69 3frp s VAL 342 Ca 0.08 1.00 -0.02 0.00 -2.93 0.00 0.00 61.98 60.10 3frp s VAL 342 Cb -0.24 -3.66 0.03 0.00 -1.53 0.00 0.00 36.38 30.98 3frp s VAL 342 CO -0.02 -0.37 0.08 -0.47 -3.33 0.00 0.00 175.10 171.00 3frp s TYR 343 N -2.21 -0.00 -0.08 1.54 5.04 -1.07 -2.33 117.35 118.23 3frp s TYR 343 Ca 0.55 0.34 0.02 0.00 -2.44 0.00 0.00 57.07 55.54 3frp s TYR 343 Cb -0.10 -0.40 -0.02 0.00 0.35 0.00 0.00 41.96 41.79 3frp s TYR 343 CO 0.22 -0.20 -0.15 0.08 -1.34 0.00 0.00 175.55 174.17 3frp s VAL 344 N 2.09 2.99 0.27 3.14 1.01 -0.75 -0.50 120.40 128.65 3frp s VAL 344 Ca 0.03 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.34 3frp s VAL 344 Cb -0.12 -2.20 -0.06 0.00 0.00 0.00 0.00 36.38 34.00 3frp s VAL 344 CO -0.04 0.56 -0.01 0.42 0.00 0.00 0.00 175.10 176.04 3frp s THR 345 N -0.27 1.32 1.01 3.92 -4.23 -0.98 -2.14 115.64 114.27 3frp s THR 345 Ca 0.02 -2.06 -0.14 0.00 -1.18 0.00 0.00 61.69 58.33 3frp s THR 345 Cb -0.13 -2.50 0.20 0.00 1.34 0.00 0.00 72.50 71.40 3frp s THR 345 CO 0.03 -0.23 1.13 0.20 -0.54 0.00 0.00 174.62 175.21 3frp s ASN 346 N -3.41 2.56 0.21 3.99 -0.87 0.45 -2.06 114.94 115.81 3frp s ASN 346 Ca 0.31 0.90 -0.10 0.00 -1.57 0.00 0.00 52.86 52.40 3frp s ASN 346 Cb 0.06 -1.38 0.20 0.00 -0.02 0.00 0.00 41.25 40.10 3frp s ASN 346 CO 0.12 -3.14 1.86 -0.65 -2.57 0.00 0.00 177.10 172.72 3frp h PRO 347 N -1.90 0.89 0.00 -0.60 0.11 -1.88 -0.67 132.00 127.95 3frp h PRO 347 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3frp h PRO 347 Cb 1.32 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3frp h PRO 347 CO 0.52 0.59 0.01 -0.40 -0.21 0.00 0.00 178.00 178.52 3frp n ASP 348 N -4.63 0.00 0.00 -2.05 3.85 -1.26 -4.83 116.55 107.63 3frp n ASP 348 Ca 0.08 0.27 0.00 0.00 -0.71 0.00 0.00 54.79 54.42 3frp n ASP 348 Cb 0.08 -0.27 0.00 0.00 -1.35 0.00 0.00 41.12 39.58 3frp n ASP 348 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3frp n GLY 349 N -1.25 0.60 3.76 6.12 0.00 -0.26 -5.06 105.19 109.10 3frp n GLY 349 Ca 0.00 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 3frp n GLY 349 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3frp s SER 350 N -2.25 7.18 0.20 1.61 1.04 -1.26 -4.83 113.70 115.40 3frp s SER 350 Ca 0.00 1.40 -0.32 0.00 0.48 0.00 0.00 55.95 57.52 3frp s SER 350 Cb 0.00 -2.44 -0.15 0.00 0.10 0.00 0.00 66.02 63.53 3frp s SER 350 CO 0.00 0.10 1.19 -0.81 0.98 0.00 0.00 173.24 174.69 3frp n PRO 351 N 2.46 1.35 -3.77 4.02 -0.04 -1.26 -0.41 135.00 137.35 3frp n PRO 351 Ca -0.05 0.48 -0.37 0.00 -0.04 0.00 0.00 63.50 63.52 3frp n PRO 351 Cb 0.50 -1.99 -0.13 0.00 -0.04 0.00 0.00 33.50 31.84 3frp n PRO 351 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3frp s ALA 352 N -0.28 3.03 0.68 0.55 0.00 -0.91 -4.67 121.76 120.16 3frp s ALA 352 Ca 0.70 -1.66 -0.10 0.00 0.00 0.00 0.00 51.96 50.90 3frp s ALA 352 Cb -0.79 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.14 3frp s ALA 352 CO 0.53 -1.20 1.06 0.00 0.00 0.00 0.00 175.76 176.15 3frp s ALA 353 N 1.42 2.97 -1.49 0.00 0.00 -1.26 -4.36 121.76 119.04 3frp s ALA 353 Ca -0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 3frp s ALA 353 Cb -0.19 -2.95 0.06 0.00 0.00 0.00 0.00 23.12 20.04 3frp s ALA 353 CO 0.02 -1.06 0.71 0.72 0.00 0.00 0.00 175.76 176.14 3frp n HIS 354 N -2.92 -1.90 -3.92 0.00 8.25 0.80 -4.94 115.22 110.58 3frp n HIS 354 Ca 0.06 0.82 -0.35 0.00 -0.26 0.00 0.00 57.72 57.99 3frp n HIS 354 Cb 0.57 -3.76 -0.14 0.00 1.12 0.00 0.00 29.99 27.78 3frp n HIS 354 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3frp s VAL 355 N -3.58 3.10 0.15 1.59 1.01 -1.25 -4.82 120.40 116.59 3frp s VAL 355 Ca 0.34 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 3frp s VAL 355 Cb -0.18 -2.54 -0.09 0.00 0.00 0.00 0.00 36.38 33.57 3frp s VAL 355 CO 0.87 0.23 1.41 -2.84 0.00 0.00 0.00 175.10 174.77 3frp s PRO 356 N 1.38 4.31 0.11 2.72 0.02 -1.26 -1.41 135.00 140.86 3frp s PRO 356 Ca 0.02 2.14 0.09 0.00 0.02 0.00 0.00 61.00 63.26 3frp s PRO 356 Cb -0.16 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 3frp s PRO 356 CO -0.03 -0.43 -0.22 0.14 -0.33 0.00 0.00 177.00 176.12 3frp s VAL 357 N 0.84 1.82 0.02 3.83 -7.23 -0.30 -0.85 120.40 118.53 3frp s VAL 357 Ca 0.64 -1.57 0.01 0.00 -1.81 0.00 0.00 61.98 59.25 3frp s VAL 357 Cb -0.38 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 3frp s VAL 357 CO 0.33 -0.02 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.36 3frp s VAL 358 N -1.13 0.35 -0.27 1.32 1.01 0.30 -2.58 120.40 119.40 3frp s VAL 358 Ca 0.08 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.35 3frp s VAL 358 Cb -0.10 -0.40 0.07 0.00 0.00 0.00 0.00 36.38 35.95 3frp s VAL 358 CO 0.04 -0.26 -0.03 -0.94 0.00 0.00 0.00 175.10 173.91 3frp s SER 359 N -1.05 4.23 0.08 3.32 1.04 -1.07 -0.43 113.70 119.83 3frp s SER 359 Ca -0.08 -1.48 -0.29 0.00 0.48 0.00 0.00 55.95 54.58 3frp s SER 359 Cb -0.07 -1.35 -0.16 0.00 0.10 0.00 0.00 66.02 64.54 3frp s SER 359 CO -0.00 -0.27 1.65 1.05 0.98 0.00 0.00 173.24 176.66 3frp h GLU 360 N 7.84 -0.58 -0.49 4.02 9.09 -1.84 -2.40 114.58 130.22 3frp h GLU 360 Ca -0.15 0.04 0.14 0.00 0.05 0.00 0.00 59.36 59.44 3frp h GLU 360 Cb 1.05 0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 28.26 3frp h GLU 360 CO 0.45 -0.39 0.66 0.00 0.05 0.00 0.00 179.01 179.78 3frp h ALA 361 N -0.03 2.22 -0.22 1.06 0.00 -1.97 0.77 119.26 121.10 3frp h ALA 361 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3frp h ALA 361 Cb 0.50 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3frp h ALA 361 CO 0.04 -0.91 0.00 1.19 0.00 0.00 0.00 179.25 179.57 3frp n PHE 362 N -3.41 0.42 -4.47 0.00 3.72 -1.07 -4.99 117.46 107.65 3frp n PHE 362 Ca 0.10 -0.61 -0.40 0.00 -0.05 0.00 0.00 57.45 56.48 3frp n PHE 362 Cb 0.84 -0.10 -0.07 0.00 -0.94 0.00 0.00 39.48 39.21 3frp n PHE 362 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3frp n HIS 363 N -0.07 -1.27 -4.17 1.38 8.25 0.27 -4.91 115.22 114.70 3frp n HIS 363 Ca 0.11 0.70 -0.26 0.00 -0.26 0.00 0.00 57.72 58.01 3frp n HIS 363 Cb 0.49 -2.16 -0.07 0.00 1.12 0.00 0.00 29.99 29.37 3frp n HIS 363 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3frp s SER 364 N -3.39 4.98 -0.28 0.41 0.15 -1.07 -5.03 113.70 109.47 3frp s SER 364 Ca 0.73 -0.32 -0.17 0.00 0.70 0.00 0.00 55.95 56.89 3frp s SER 364 Cb -0.42 -1.13 0.10 0.00 -1.71 0.00 0.00 66.02 62.86 3frp s SER 364 CO 1.01 0.08 0.79 -0.32 1.20 0.00 0.00 173.24 176.00 3frp s MET 365 N -2.99 0.61 0.21 5.44 1.75 -1.26 -2.59 119.30 120.48 3frp s MET 365 Ca 0.28 1.03 -0.18 0.00 -1.25 0.00 0.00 55.69 55.57 3frp s MET 365 Cb -0.09 0.13 0.03 0.00 2.84 0.00 0.00 34.83 37.73 3frp s MET 365 CO 0.20 -0.12 0.56 0.20 -0.65 0.00 0.00 175.02 175.21 3frp s GLY 366 N 1.47 -0.07 0.10 2.11 0.00 -1.06 -5.03 107.32 104.83 3frp s GLY 366 Ca -0.09 -0.25 0.09 0.00 0.00 0.00 0.00 44.72 44.47 3frp s GLY 366 CO -0.17 -0.23 -0.22 -0.51 0.00 0.00 0.00 173.10 171.96 3frp s THR 367 N -3.89 1.81 0.05 0.90 -4.23 -1.26 -1.15 115.64 107.87 3frp s THR 367 Ca 0.10 -1.54 -0.31 0.00 -1.18 0.00 0.00 61.69 58.76 3frp s THR 367 Cb -0.02 -1.62 -0.06 0.00 1.34 0.00 0.00 72.50 72.13 3frp s THR 367 CO -0.01 -0.00 1.33 -0.89 -0.54 0.00 0.00 174.62 174.51 3frp s THR 368 N -1.10 3.68 0.58 3.99 2.01 -0.50 -4.70 115.64 119.60 3frp s THR 368 Ca 0.08 1.16 -0.10 0.00 0.31 0.00 0.00 61.69 63.14 3frp s THR 368 Cb -0.10 -3.75 0.14 0.00 0.01 0.00 0.00 72.50 68.81 3frp s THR 368 CO 0.04 0.06 0.64 0.18 -0.69 0.00 0.00 174.62 174.85 3frp n LEU 369 N 4.47 0.00 -0.12 4.42 4.77 -0.30 -0.14 117.00 130.09 3frp n LEU 369 Ca 0.11 -0.70 0.01 0.00 -0.03 0.00 0.00 56.01 55.40 3frp n LEU 369 Cb 0.44 -0.54 0.28 0.00 -2.33 0.00 0.00 43.42 41.28 3frp n LEU 369 CO 0.58 -1.30 1.13 0.28 -1.33 0.00 0.00 177.39 176.75 3frp h SER 370 N -1.40 0.71 0.15 -1.43 0.02 -1.94 -1.05 113.55 108.61 3frp h SER 370 Ca -0.22 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3frp h SER 370 Cb 0.64 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3frp h SER 370 CO 0.15 0.58 0.00 -0.90 -1.14 0.00 0.00 176.83 175.52 3frp n ASP 371 N -4.39 0.00 -0.01 3.07 3.85 -1.26 -4.58 116.55 113.22 3frp n ASP 371 Ca 0.05 -0.15 -0.00 0.00 -0.71 0.00 0.00 54.79 53.98 3frp n ASP 371 Cb 0.10 -0.16 -0.00 0.00 -1.35 0.00 0.00 41.12 39.71 3frp n ASP 371 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3frp n GLY 372 N -0.08 0.45 3.60 6.12 0.00 -0.40 -4.82 105.19 110.07 3frp n GLY 372 Ca 0.09 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 3frp n GLY 372 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3frp s THR 373 N -2.00 3.41 -0.01 2.61 -4.23 -1.26 -1.81 115.64 112.36 3frp s THR 373 Ca 0.00 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 3frp s THR 373 Cb 0.00 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 71.20 3frp s THR 373 CO 0.00 -0.02 0.02 0.00 -0.54 0.00 0.00 174.62 174.08 3frp s ALA 374 N -1.50 0.07 -0.20 3.99 0.00 -0.98 -1.15 121.76 121.99 3frp s ALA 374 Ca 0.24 0.21 -0.16 0.00 0.00 0.00 0.00 51.96 52.24 3frp s ALA 374 Cb -0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3frp s ALA 374 CO 0.15 -0.07 0.43 0.21 0.00 0.00 0.00 175.76 176.48 3frp s LYS 375 N 0.76 4.19 -0.12 0.00 2.47 -1.26 -2.08 119.74 123.69 3frp s LYS 375 Ca -0.06 0.26 0.03 0.00 -1.56 0.00 0.00 55.97 54.63 3frp s LYS 375 Cb -0.09 -3.53 0.01 0.00 -1.46 0.00 0.00 37.83 32.75 3frp s LYS 375 CO -0.02 -0.05 -0.20 -0.51 0.16 0.00 0.00 175.35 174.74 3frp s LEU 376 N 1.32 1.97 -0.10 5.43 1.43 0.82 -4.92 118.68 124.63 3frp s LEU 376 Ca 0.20 -0.53 -0.21 0.00 -1.03 0.00 0.00 54.13 52.57 3frp s LEU 376 Cb -0.15 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 3frp s LEU 376 CO 0.08 0.08 0.58 -0.51 0.23 0.00 0.00 176.35 176.81 3frp s ILE 377 N 0.76 5.12 -0.21 -0.59 2.07 -1.26 -0.65 121.20 126.44 3frp s ILE 377 Ca -0.10 1.18 -0.01 0.00 -1.41 0.00 0.00 60.65 60.31 3frp s ILE 377 Cb -0.16 -3.92 0.01 0.00 0.13 0.00 0.00 42.46 38.52 3frp s ILE 377 CO 0.01 0.28 -0.12 -0.76 -1.91 0.00 0.00 174.94 172.44 3frp s LEU 378 N 0.80 2.59 -0.01 8.50 1.02 0.10 -4.98 118.68 126.70 3frp s LEU 378 Ca 0.31 -0.59 -0.30 0.00 0.02 0.00 0.00 54.13 53.57 3frp s LEU 378 Cb -0.16 -1.61 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 3frp s LEU 378 CO 0.14 -0.03 1.09 0.20 0.02 0.00 0.00 176.35 177.77 3frp s ASN 379 N 1.36 7.20 -0.02 2.29 0.02 -1.26 -0.79 114.94 123.75 3frp s ASN 379 Ca 0.04 1.77 0.06 0.00 -1.02 0.00 0.00 52.86 53.71 3frp s ASN 379 Cb -0.14 -2.57 -0.01 0.00 0.02 0.00 0.00 41.25 38.55 3frp s ASN 379 CO -0.08 -0.41 -0.18 0.27 0.02 0.00 0.00 177.10 176.71 3frp s ILE 380 N 1.44 1.46 0.96 0.60 -4.36 -1.26 -4.98 121.20 115.05 3frp s ILE 380 Ca 0.54 -0.78 -0.13 0.00 -0.26 0.00 0.00 60.65 60.02 3frp s ILE 380 Cb -0.24 -1.22 0.06 0.00 1.25 0.00 0.00 42.46 42.32 3frp s ILE 380 CO 0.25 0.41 0.51 -0.81 0.24 0.00 0.00 174.94 175.55 3frp n PRO 381 N 2.69 -0.43 0.13 0.37 -0.04 -1.26 -3.97 135.00 132.49 3frp n PRO 381 Ca -0.15 -0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.35 3frp n PRO 381 Cb 0.54 -1.94 0.18 0.00 -0.04 0.00 0.00 33.50 32.24 3frp n PRO 381 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3frp h LEU 382 N -1.67 0.00 -2.31 1.53 6.46 -1.95 -3.14 115.31 114.23 3frp h LEU 382 Ca -0.44 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.27 3frp h LEU 382 Cb 1.28 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 3frp h LEU 382 CO 0.36 0.03 0.00 -0.46 -0.62 0.00 0.00 178.44 177.74 3frp n ASN 383 N -2.58 2.61 -4.73 1.25 6.94 -1.26 -4.50 115.26 112.98 3frp n ASN 383 Ca 0.03 -1.80 -0.42 0.00 -0.02 0.00 0.00 54.58 52.37 3frp n ASN 383 Cb 0.49 -0.15 -0.03 0.00 -2.36 0.00 0.00 39.78 37.73 3frp n ASN 383 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3frp s ALA 384 N -1.00 3.57 -0.11 -2.53 0.00 -1.25 -4.91 121.76 115.53 3frp s ALA 384 Ca 0.21 1.15 0.18 0.00 0.00 0.00 0.00 51.96 53.49 3frp s ALA 384 Cb 0.12 -3.52 -0.26 0.00 0.00 0.00 0.00 23.12 19.46 3frp s ALA 384 CO 0.16 -0.60 0.22 1.04 0.00 0.00 0.00 175.76 176.58 3frp n GLN 385 N 3.21 0.86 -4.60 0.00 3.00 -1.26 -4.75 117.38 113.84 3frp n GLN 385 Ca 0.09 -0.08 -0.22 0.00 -0.01 0.00 0.00 57.00 56.78 3frp n GLN 385 Cb 0.42 -1.46 -0.15 0.00 0.00 0.00 0.00 30.24 29.05 3frp n GLN 385 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3frp s SER 386 N -4.80 1.58 -0.25 1.08 0.15 -1.26 -0.26 113.70 109.94 3frp s SER 386 Ca -0.08 -0.25 -0.02 0.00 0.70 0.00 0.00 55.95 56.30 3frp s SER 386 Cb 0.08 -0.26 0.08 0.00 -1.71 0.00 0.00 66.02 64.22 3frp s SER 386 CO 0.77 0.15 0.06 -0.22 1.20 0.00 0.00 173.24 175.19 3frp s LEU 387 N -0.18 1.68 -0.11 3.45 2.96 0.15 -4.99 118.68 121.65 3frp s LEU 387 Ca 0.03 -1.21 -0.13 0.00 -0.22 0.00 0.00 54.13 52.60 3frp s LEU 387 Cb -0.07 -0.74 -0.05 0.00 0.50 0.00 0.00 46.19 45.84 3frp s LEU 387 CO -0.00 -0.35 0.29 -2.16 -1.32 0.00 0.00 176.35 172.81 3frp s PRO 388 N 1.74 4.01 -0.00 0.98 0.04 -1.26 0.93 135.00 141.43 3frp s PRO 388 Ca 0.03 0.14 0.07 0.00 0.04 0.00 0.00 61.00 61.28 3frp s PRO 388 Cb -0.17 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 3frp s PRO 388 CO -0.16 0.46 -0.20 0.42 0.04 0.00 0.00 177.00 177.56 3frp s ILE 389 N -0.24 1.62 -0.04 0.56 1.01 0.18 -4.95 121.20 119.34 3frp s ILE 389 Ca 0.18 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.90 3frp s ILE 389 Cb -0.14 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 40.98 3frp s ILE 389 CO 0.06 0.39 -0.08 -0.89 0.00 0.00 0.00 174.94 174.43 3frp s THR 390 N -0.56 0.75 -0.04 2.92 2.01 -1.26 -1.07 115.64 118.40 3frp s THR 390 Ca 0.08 -0.29 0.06 0.00 0.31 0.00 0.00 61.69 61.85 3frp s THR 390 Cb -0.08 -0.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 3frp s THR 390 CO -0.00 0.26 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.28 3frp s VAL 391 N 0.59 1.77 0.08 3.82 1.01 -1.12 -4.37 120.40 122.18 3frp s VAL 391 Ca -0.09 -0.92 0.10 0.00 0.00 0.00 0.00 61.98 61.06 3frp s VAL 391 Cb -0.13 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 3frp s VAL 391 CO 0.01 0.50 -0.26 -0.13 0.00 0.00 0.00 175.10 175.22 3frp s ARG 392 N -0.21 1.65 0.66 2.72 0.52 0.43 -2.79 118.95 121.93 3frp s ARG 392 Ca 0.00 -1.20 -0.15 0.00 -0.52 0.00 0.00 55.73 53.86 3frp s ARG 392 Cb -0.11 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.40 3frp s ARG 392 CO 0.02 0.49 1.10 0.95 0.02 0.00 0.00 175.30 177.88 3frp s THR 393 N -0.91 3.30 -0.35 0.02 -4.23 -0.05 -0.54 115.64 112.87 3frp s THR 393 Ca 0.13 0.59 0.14 0.00 -1.18 0.00 0.00 61.69 61.37 3frp s THR 393 Cb -0.10 -3.11 0.39 0.00 1.34 0.00 0.00 72.50 71.02 3frp s THR 393 CO 0.04 -0.39 0.84 -3.20 -0.54 0.00 0.00 174.62 171.37 3frp n ASN 394 N -2.46 0.91 -4.71 3.99 5.15 -0.03 -4.65 115.26 113.45 3frp n ASN 394 Ca 0.10 -2.90 -0.42 0.00 -0.60 0.00 0.00 54.58 50.76 3frp n ASN 394 Cb 0.52 -0.47 -0.03 0.00 -0.53 0.00 0.00 39.78 39.27 3frp n ASN 394 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3frp s HIS 395 N -2.56 3.46 0.54 1.20 5.65 -1.26 -4.67 115.29 117.66 3frp s HIS 395 Ca 0.34 1.36 0.35 0.00 0.25 0.00 0.00 55.06 57.35 3frp s HIS 395 Cb 0.39 -3.38 1.52 0.00 -1.18 0.00 0.00 32.58 29.94 3frp s HIS 395 CO -0.03 -1.09 1.84 0.78 -0.65 0.00 0.00 174.74 175.59 3frp h GLY 396 N 6.84 0.00 -2.03 1.59 0.00 -1.98 -1.15 103.07 106.34 3frp h GLY 396 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3frp h GLY 396 CO 0.80 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.56 3frp n ASP 397 N -4.21 4.20 -4.20 0.19 10.43 -1.26 -4.97 116.55 116.73 3frp n ASP 397 Ca 0.22 -2.86 -0.29 0.00 2.57 0.00 0.00 54.79 54.44 3frp n ASP 397 Cb 1.13 -0.54 -0.16 0.00 1.84 0.00 0.00 41.12 43.38 3frp n ASP 397 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3frp s LEU 398 N -2.56 1.99 0.62 0.64 1.02 -0.44 -5.13 118.68 114.83 3frp s LEU 398 Ca 0.43 -0.45 -0.17 0.00 0.02 0.00 0.00 54.13 53.97 3frp s LEU 398 Cb 0.33 -1.20 -0.02 0.00 0.02 0.00 0.00 46.19 45.32 3frp s LEU 398 CO 0.12 0.19 1.14 -2.16 0.02 0.00 0.00 176.35 175.66 3frp s PRO 399 N 0.02 2.92 0.22 1.29 0.04 -1.26 -4.79 135.00 133.44 3frp s PRO 399 Ca -0.06 1.54 -0.09 0.00 0.04 0.00 0.00 61.00 62.43 3frp s PRO 399 Cb -0.14 -1.95 0.34 0.00 0.04 0.00 0.00 34.50 32.80 3frp s PRO 399 CO 0.04 -1.19 1.67 -0.09 0.04 0.00 0.00 177.00 177.48 3frp h ARG 400 N 0.44 0.17 0.00 4.56 1.12 -1.99 -0.15 114.38 118.54 3frp h ARG 400 Ca -0.48 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.38 3frp h ARG 400 Cb 1.26 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.18 3frp h ARG 400 CO 0.55 0.11 0.00 -0.85 -3.11 0.00 0.00 179.97 176.67 3frp n GLU 401 N -5.23 0.00 -0.20 0.20 0.00 -1.26 -1.34 120.64 112.82 3frp n GLU 401 Ca 0.10 0.17 0.10 0.00 0.00 0.00 0.00 57.16 57.53 3frp n GLU 401 Cb 0.38 -1.50 0.26 0.00 0.00 0.00 0.00 31.44 30.58 3frp n GLU 401 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3frp n ARG 402 N -1.50 2.14 -2.18 3.44 5.12 -0.07 -4.83 116.66 118.78 3frp n ARG 402 Ca 0.05 -1.74 -0.28 0.00 -1.93 0.00 0.00 57.85 53.94 3frp n ARG 402 Cb 0.22 -1.42 0.04 0.00 -1.16 0.00 0.00 32.46 30.14 3frp n ARG 402 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3frp s GLN 403 N -1.48 2.94 0.04 5.56 -1.52 -0.45 -4.29 119.66 120.45 3frp s GLN 403 Ca 0.35 0.21 0.03 0.00 -1.95 0.00 0.00 55.36 54.00 3frp s GLN 403 Cb 0.19 -2.17 -0.04 0.00 -0.22 0.00 0.00 33.01 30.77 3frp s GLN 403 CO 0.26 -0.82 0.02 0.00 -0.25 0.00 0.00 175.29 174.50 3frp s ALA 404 N -3.14 3.34 0.04 6.09 0.00 -1.26 -4.77 121.76 122.06 3frp s ALA 404 Ca 0.55 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 3frp s ALA 404 Cb -0.11 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 3frp s ALA 404 CO 0.48 0.68 0.06 -0.08 0.00 0.00 0.00 175.76 176.90 3frp s THR 405 N -1.20 0.14 0.09 0.00 -1.32 -1.26 -0.87 115.64 111.22 3frp s THR 405 Ca 0.23 -1.16 -0.21 0.00 -1.21 0.00 0.00 61.69 59.33 3frp s THR 405 Cb -0.12 -0.88 0.05 0.00 -1.51 0.00 0.00 72.50 70.05 3frp s THR 405 CO 0.14 -0.64 0.52 -0.75 -2.21 0.00 0.00 174.62 171.68 3frp s LYS 406 N -2.61 1.10 0.13 7.08 2.20 -1.12 -4.72 119.74 121.80 3frp s LYS 406 Ca -0.05 -0.37 0.08 0.00 -0.36 0.00 0.00 55.97 55.27 3frp s LYS 406 Cb -0.01 0.50 -0.04 0.00 -1.51 0.00 0.00 37.83 36.77 3frp s LYS 406 CO -0.05 -0.42 -0.20 -1.12 -0.36 0.00 0.00 175.35 173.20 3frp s SER 407 N -2.30 2.63 0.23 1.43 0.01 -1.26 -2.80 113.70 111.65 3frp s SER 407 Ca -0.02 -0.77 -0.09 0.00 1.31 0.00 0.00 55.95 56.38 3frp s SER 407 Cb -0.00 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 3frp s SER 407 CO -0.06 0.02 0.37 0.00 0.41 0.00 0.00 173.24 173.98 3frp s MET 408 N -2.32 1.44 -0.04 12.44 0.23 -0.23 -5.01 119.30 125.81 3frp s MET 408 Ca 0.11 -1.38 -0.02 0.00 -1.03 0.00 0.00 55.69 53.37 3frp s MET 408 Cb -0.08 0.41 0.03 0.00 -1.53 0.00 0.00 34.83 33.66 3frp s MET 408 CO 0.05 -0.57 0.07 0.95 -2.03 0.00 0.00 175.02 173.50 3frp s THR 409 N -4.05 -0.12 0.15 3.16 -4.23 -1.26 0.48 115.64 109.78 3frp s THR 409 Ca 0.28 0.38 -0.05 0.00 -1.18 0.00 0.00 61.69 61.11 3frp s THR 409 Cb 0.02 -0.16 -0.06 0.00 1.34 0.00 0.00 72.50 73.64 3frp s THR 409 CO 0.10 0.16 0.40 0.00 -0.54 0.00 0.00 174.62 174.74 3frp s ALA 410 N 1.98 3.76 0.08 3.99 0.00 0.26 -4.88 121.76 126.95 3frp s ALA 410 Ca 0.02 -0.52 0.09 0.00 0.00 0.00 0.00 51.96 51.55 3frp s ALA 410 Cb -0.12 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 3frp s ALA 410 CO -0.03 0.65 -0.22 0.96 0.00 0.00 0.00 175.76 177.11 3frp s ILE 411 N -1.68 2.54 0.22 0.00 -4.36 -0.49 0.35 121.20 117.77 3frp s ILE 411 Ca 0.42 -1.45 -0.30 0.00 -0.26 0.00 0.00 60.65 59.06 3frp s ILE 411 Cb -0.12 -2.09 -0.09 0.00 1.25 0.00 0.00 42.46 41.41 3frp s ILE 411 CO 0.24 0.22 1.23 0.00 0.24 0.00 0.00 174.94 176.88 3frp s ALA 412 N -0.99 3.47 -0.06 2.27 0.00 0.64 -2.61 121.76 124.48 3frp s ALA 412 Ca 0.15 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 3frp s ALA 412 Cb -0.10 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 3frp s ALA 412 CO 0.06 -0.43 2.04 0.98 0.00 0.00 0.00 175.76 178.41 3frp n TYR 413 N 2.18 2.32 -2.32 0.00 4.19 -0.07 -4.87 117.16 118.59 3frp n TYR 413 Ca 0.04 -0.25 -0.43 0.00 3.31 0.00 0.00 57.90 60.56 3frp n TYR 413 Cb 0.44 -2.76 -0.02 0.00 0.49 0.00 0.00 39.34 37.48 3frp n TYR 413 CO 0.00 0.00 0.00 -0.65 0.91 0.00 0.00 176.86 177.12 3frp s GLN 414 N 4.99 4.01 0.54 2.98 -1.52 0.36 -4.92 119.66 126.09 3frp s GLN 414 Ca 0.93 1.54 -0.21 0.00 -1.95 0.00 0.00 55.36 55.68 3frp s GLN 414 Cb -0.45 -3.89 -0.05 0.00 -0.22 0.00 0.00 33.01 28.40 3frp s GLN 414 CO 0.42 -1.01 1.21 -0.08 -0.25 0.00 0.00 175.29 175.58 3frp s THR 415 N 4.26 2.74 -0.61 -0.19 -1.32 -1.26 -4.47 115.64 114.79 3frp s THR 415 Ca 0.60 0.51 -0.27 0.00 -1.21 0.00 0.00 61.69 61.32 3frp s THR 415 Cb -0.21 -3.23 -0.01 0.00 -1.51 0.00 0.00 72.50 67.54 3frp s THR 415 CO 0.22 -0.06 1.68 -1.58 -2.21 0.00 0.00 174.62 172.68 3frp s GLN 416 N -3.05 2.88 -0.47 7.08 0.74 -1.26 -3.24 119.66 122.33 3frp s GLN 416 Ca 0.72 0.48 -0.03 0.00 0.05 0.00 0.00 55.36 56.57 3frp s GLN 416 Cb -0.31 -4.30 0.00 0.00 1.10 0.00 0.00 33.01 29.51 3frp s GLN 416 CO 0.35 -2.45 0.41 0.41 -0.55 0.00 0.00 175.29 173.46 3frp n GLY 417 N 5.56 0.41 2.46 2.59 0.00 -1.26 -3.71 105.19 111.23 3frp n GLY 417 Ca 0.16 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3frp n GLY 417 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3frp n GLY 418 N -1.03 -0.50 0.23 -0.02 0.00 -1.20 -4.88 105.19 97.79 3frp n GLY 418 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3frp n GLY 418 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3frp h SER 419 N -0.02 0.00 -0.04 1.61 4.64 -1.80 -3.47 113.55 114.47 3frp h SER 419 Ca -0.29 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.01 3frp h SER 419 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3frp h SER 419 CO 0.35 0.23 -0.02 0.61 -0.87 0.00 0.00 176.83 177.13 3frp n GLY 420 N -0.20 0.47 3.69 -0.77 0.00 -1.26 -4.61 105.19 102.51 3frp n GLY 420 Ca -0.01 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 3frp n GLY 420 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3frp s ASN 421 N -2.24 6.71 0.25 1.61 0.01 -1.26 -4.16 114.94 115.86 3frp s ASN 421 Ca 0.00 0.86 0.06 0.00 -0.71 0.00 0.00 52.86 53.07 3frp s ASN 421 Cb 0.00 -2.33 -0.05 0.00 0.41 0.00 0.00 41.25 39.28 3frp s ASN 421 CO 0.00 -0.15 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.06 3frp s TYR 422 N 1.30 1.83 -0.02 2.20 2.02 0.90 -4.77 117.35 120.81 3frp s TYR 422 Ca 0.29 -0.70 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 3frp s TYR 422 Cb -0.16 -1.01 0.02 0.00 -0.40 0.00 0.00 41.96 40.41 3frp s TYR 422 CO 0.11 0.25 -0.01 -1.17 -1.57 0.00 0.00 175.55 173.17 3frp s LEU 423 N -3.39 1.41 -0.08 -1.29 2.96 -1.26 -3.34 118.68 113.68 3frp s LEU 423 Ca 0.28 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 3frp s LEU 423 Cb 0.03 -0.19 0.02 0.00 0.50 0.00 0.00 46.19 46.55 3frp s LEU 423 CO 0.10 -0.06 -0.11 -2.28 -1.32 0.00 0.00 176.35 172.68 3frp s HIS 424 N 0.71 1.46 -0.19 5.38 5.65 0.50 -4.58 115.29 124.20 3frp s HIS 424 Ca -0.07 -0.59 -0.13 0.00 0.25 0.00 0.00 55.06 54.52 3frp s HIS 424 Cb -0.10 -1.11 -0.05 0.00 -1.18 0.00 0.00 32.58 30.15 3frp s HIS 424 CO -0.01 -0.34 0.26 0.08 -0.65 0.00 0.00 174.74 174.07 3frp s VAL 425 N 0.94 5.31 -0.09 0.89 1.01 -1.26 -0.17 120.40 127.03 3frp s VAL 425 Ca -0.09 0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.36 3frp s VAL 425 Cb -0.15 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3frp s VAL 425 CO 0.00 0.36 -0.21 0.00 0.00 0.00 0.00 175.10 175.25 3frp s ALA 426 N 0.76 2.31 -0.07 5.51 0.00 -0.80 -4.95 121.76 124.52 3frp s ALA 426 Ca 0.13 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.13 3frp s ALA 426 Cb -0.13 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.13 3frp s ALA 426 CO 0.04 0.34 -0.09 0.42 0.00 0.00 0.00 175.76 176.47 3frp s ILE 427 N 0.11 0.92 -0.18 0.00 1.09 -1.26 -2.30 121.20 119.58 3frp s ILE 427 Ca -0.10 -0.31 0.16 0.00 -1.10 0.00 0.00 60.65 59.30 3frp s ILE 427 Cb -0.16 -0.90 -0.24 0.00 -1.06 0.00 0.00 42.46 40.11 3frp s ILE 427 CO 0.06 0.32 0.43 0.35 -0.10 0.00 0.00 174.94 176.00 3frp n THR 428 N 4.23 0.00 -2.36 2.92 -2.24 -1.26 -5.01 114.28 110.56 3frp n THR 428 Ca -0.20 -0.32 -0.39 0.00 -2.27 0.00 0.00 64.05 60.87 3frp n THR 428 Cb 0.51 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 3frp n THR 428 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3frp s SER 429 N -3.58 6.78 0.27 3.42 0.01 -1.26 -5.04 113.70 114.30 3frp s SER 429 Ca -0.03 2.31 0.11 0.00 1.31 0.00 0.00 55.95 59.65 3frp s SER 429 Cb 0.11 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.67 3frp s SER 429 CO 0.67 -0.49 -0.18 0.42 0.41 0.00 0.00 173.24 174.07 3frp s THR 430 N -1.36 2.27 -0.84 1.44 -4.23 -1.26 -4.83 115.64 106.83 3frp s THR 430 Ca 0.53 -2.35 -0.01 0.00 -1.18 0.00 0.00 61.69 58.68 3frp s THR 430 Cb -0.31 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.27 3frp s THR 430 CO 0.39 -0.43 0.60 -0.62 -0.54 0.00 0.00 174.62 174.02 3frp n GLU 431 N -0.57 -1.50 -2.57 3.99 1.02 -1.26 -4.85 120.64 114.90 3frp n GLU 431 Ca -0.06 0.72 -0.42 0.00 -0.02 0.00 0.00 57.16 57.38 3frp n GLU 431 Cb 0.60 -2.25 -0.03 0.00 -0.02 0.00 0.00 31.44 29.74 3frp n GLU 431 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3frp s ILE 432 N -3.01 4.46 0.10 -3.67 -1.09 -1.26 -4.93 121.20 111.80 3frp s ILE 432 Ca 0.02 1.77 0.07 0.00 -2.23 0.00 0.00 60.65 60.29 3frp s ILE 432 Cb -0.01 -4.13 -0.03 0.00 -1.58 0.00 0.00 42.46 36.70 3frp s ILE 432 CO 0.90 0.14 -0.19 -1.59 -1.23 0.00 0.00 174.94 172.97 3frp s LYS 433 N 1.01 1.07 0.35 2.79 -2.85 -1.26 -0.94 119.74 119.90 3frp s LYS 433 Ca 0.55 -1.14 -0.29 0.00 -1.00 0.00 0.00 55.97 54.09 3frp s LYS 433 Cb -0.25 -1.25 -0.11 0.00 -2.06 0.00 0.00 37.83 34.17 3frp s LYS 433 CO 0.29 0.28 1.45 -1.25 0.10 0.00 0.00 175.35 176.22 3frp s PRO 434 N -1.98 4.18 0.00 1.78 0.04 -1.26 -2.58 135.00 135.18 3frp s PRO 434 Ca 0.06 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.56 3frp s PRO 434 Cb -0.09 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.44 3frp s PRO 434 CO 0.04 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.04 3frp n GLY 435 N 0.81 1.05 3.84 0.56 0.00 0.62 -4.97 105.19 107.11 3frp n GLY 435 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3frp n GLY 435 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3frp s ASP 436 N -1.05 5.88 -0.27 1.61 1.01 -1.06 -4.79 116.67 117.99 3frp s ASP 436 Ca 0.00 1.53 -0.02 0.00 0.71 0.00 0.00 52.55 54.77 3frp s ASP 436 Cb 0.00 -2.49 0.04 0.00 1.01 0.00 0.00 42.92 41.48 3frp s ASP 436 CO 0.00 -1.10 -0.03 0.20 0.21 0.00 0.00 175.17 174.45 3frp s ASN 437 N -3.89 4.61 -0.26 0.27 0.01 -1.26 -1.41 114.94 113.01 3frp s ASN 437 Ca 0.57 -1.07 -0.07 0.00 -0.71 0.00 0.00 52.86 51.58 3frp s ASN 437 Cb -0.12 -1.69 -0.02 0.00 0.41 0.00 0.00 41.25 39.82 3frp s ASN 437 CO 0.52 -0.19 0.07 -0.22 -1.51 0.00 0.00 177.10 175.77 3frp s LEU 438 N 1.29 3.49 0.14 0.60 2.96 0.49 -4.90 118.68 122.76 3frp s LEU 438 Ca -0.03 -0.28 -0.31 0.00 -0.22 0.00 0.00 54.13 53.29 3frp s LEU 438 Cb -0.18 -1.91 -0.10 0.00 0.50 0.00 0.00 46.19 44.50 3frp s LEU 438 CO -0.03 -0.06 1.61 -2.84 -1.32 0.00 0.00 176.35 173.72 3frp s PRO 439 N 1.60 4.20 -0.17 0.98 0.02 -1.26 -0.52 135.00 139.85 3frp s PRO 439 Ca 0.06 2.38 0.01 0.00 0.02 0.00 0.00 61.00 63.48 3frp s PRO 439 Cb -0.15 -3.29 0.02 0.00 0.02 0.00 0.00 34.50 31.10 3frp s PRO 439 CO 0.03 -0.66 -0.20 0.08 -0.33 0.00 0.00 177.00 175.92 3frp s VAL 440 N 1.62 2.05 -0.12 3.83 1.01 0.35 -4.73 120.40 124.41 3frp s VAL 440 Ca 0.72 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 3frp s VAL 440 Cb -0.43 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 3frp s VAL 440 CO 0.32 0.54 0.33 0.20 0.00 0.00 0.00 175.10 176.49 3frp s ASN 441 N 1.16 6.55 -0.43 3.32 0.01 -0.97 -1.32 114.94 123.25 3frp s ASN 441 Ca 0.02 0.65 -0.15 0.00 -0.71 0.00 0.00 52.86 52.66 3frp s ASN 441 Cb -0.14 -2.20 0.04 0.00 0.41 0.00 0.00 41.25 39.35 3frp s ASN 441 CO -0.10 0.15 0.33 -0.36 -1.51 0.00 0.00 177.10 175.61 3frp s PHE 442 N 0.08 3.24 -0.29 2.20 0.40 0.17 -1.90 117.98 121.86 3frp s PHE 442 Ca 0.19 -0.68 -0.09 0.00 -0.60 0.00 0.00 56.93 55.76 3frp s PHE 442 Cb -0.14 -2.77 -0.01 0.00 0.51 0.00 0.00 43.02 40.61 3frp s PHE 442 CO 0.07 -0.65 0.12 -0.80 0.70 0.00 0.00 175.22 174.65 3frp s ASN 443 N 1.95 5.38 0.05 1.36 0.01 0.76 -1.29 114.94 123.15 3frp s ASN 443 Ca 0.05 -0.48 0.06 0.00 -0.71 0.00 0.00 52.86 51.78 3frp s ASN 443 Cb -0.20 -1.96 -0.03 0.00 0.41 0.00 0.00 41.25 39.46 3frp s ASN 443 CO 0.09 -0.16 -0.13 0.54 -1.51 0.00 0.00 177.10 175.94 3frp s VAL 444 N 1.59 3.20 -0.19 1.60 0.11 -0.69 -0.37 120.40 125.66 3frp s VAL 444 Ca 0.05 -1.09 -0.12 0.00 -2.93 0.00 0.00 61.98 57.88 3frp s VAL 444 Cb -0.17 -2.41 0.06 0.00 -1.53 0.00 0.00 36.38 32.34 3frp s VAL 444 CO 0.05 0.29 0.47 -0.75 -3.33 0.00 0.00 175.10 171.83 3frp s LYS 445 N -1.65 0.48 0.00 1.54 2.20 -1.21 -4.84 119.74 116.26 3frp s LYS 445 Ca 0.17 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 56.59 3frp s LYS 445 Cb -0.11 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.30 3frp s LYS 445 CO 0.08 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.35 3frp n GLY 446 N 3.82 -0.72 3.75 5.54 0.00 -1.26 -0.07 105.19 116.24 3frp n GLY 446 Ca -0.20 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 3frp n GLY 446 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3frp s ASN 447 N -4.00 7.38 0.47 1.61 2.20 -1.26 -4.87 114.94 116.47 3frp s ASN 447 Ca 0.00 2.08 0.31 0.00 -0.94 0.00 0.00 52.86 54.31 3frp s ASN 447 Cb 0.00 -2.61 1.42 0.00 -2.00 0.00 0.00 41.25 38.06 3frp s ASN 447 CO 0.00 -0.10 1.70 0.00 -2.94 0.00 0.00 177.10 175.76 3frp h ALA 448 N 4.59 2.85 0.01 3.54 0.00 -2.00 -1.37 119.26 126.88 3frp h ALA 448 Ca -0.45 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3frp h ALA 448 Cb 1.21 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3frp h ALA 448 CO 0.70 -1.34 -0.00 -0.91 0.00 0.00 0.00 179.25 177.69 3frp h ASN 449 N 0.13 -0.01 -0.29 0.00 4.21 -2.00 -3.04 115.58 114.58 3frp h ASN 449 Ca 0.71 -0.44 -0.07 0.00 1.21 0.00 0.00 56.30 57.71 3frp h ASN 449 Cb 2.37 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 39.57 3frp h ASN 449 CO -0.23 0.44 -0.09 0.28 -1.29 0.00 0.00 177.43 176.54 3frp h SER 450 N -0.46 0.59 -0.82 5.81 0.02 -1.68 -3.26 113.55 113.75 3frp h SER 450 Ca -0.00 -0.38 0.15 0.00 -0.84 0.00 0.00 61.79 60.72 3frp h SER 450 Cb 0.45 -0.16 -0.09 0.00 0.14 0.00 0.00 62.40 62.74 3frp h SER 450 CO 0.00 0.83 0.40 -0.07 -1.14 0.00 0.00 176.83 176.85 3frp h LEU 451 N 0.34 0.46 0.00 5.07 3.38 -1.41 0.42 115.31 123.57 3frp h LEU 451 Ca 0.07 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3frp h LEU 451 Cb 0.58 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3frp h LEU 451 CO 0.03 0.19 0.00 0.29 0.09 0.00 0.00 178.44 179.04 3frp n LYS 452 N -4.91 0.16 -0.00 1.13 5.02 -1.15 -2.00 118.16 116.41 3frp n LYS 452 Ca 0.16 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.50 3frp n LYS 452 Cb 0.43 -1.34 -0.07 0.00 -0.02 0.00 0.00 35.03 34.03 3frp n LYS 452 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3frp n GLN 453 N -0.84 2.10 -2.20 1.97 6.02 0.14 -4.94 117.38 119.62 3frp n GLN 453 Ca 0.03 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.56 3frp n GLN 453 Cb 0.01 -1.11 -0.03 0.00 1.02 0.00 0.00 30.24 30.14 3frp n GLN 453 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3frp s ILE 454 N -2.32 3.64 -0.07 5.09 1.01 -0.85 -4.83 121.20 122.87 3frp s ILE 454 Ca 0.00 0.58 0.21 0.00 0.00 0.00 0.00 60.65 61.44 3frp s ILE 454 Cb 0.07 -4.07 -0.31 0.00 0.01 0.00 0.00 42.46 38.17 3frp s ILE 454 CO 0.43 -0.82 0.41 0.29 0.00 0.00 0.00 174.94 175.25 3frp n LYS 455 N 8.58 0.66 -3.96 2.79 5.02 -1.26 -4.64 118.16 125.35 3frp n LYS 455 Ca 0.18 -0.14 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 3frp n LYS 455 Cb 0.49 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 3frp n LYS 455 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 3frp s TYR 456 N -3.28 0.36 0.07 2.13 -0.85 -1.26 -1.41 117.35 113.10 3frp s TYR 456 Ca -0.08 -0.77 0.08 0.00 -0.52 0.00 0.00 57.07 55.77 3frp s TYR 456 Cb 0.12 0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.79 3frp s TYR 456 CO 0.89 -1.18 -0.21 -0.06 -1.52 0.00 0.00 175.55 173.47 3frp s PHE 457 N -3.48 1.81 -0.15 -3.49 0.08 0.44 -4.77 117.98 108.41 3frp s PHE 457 Ca 0.21 -0.39 -0.03 0.00 0.12 0.00 0.00 56.93 56.83 3frp s PHE 457 Cb -0.02 -1.04 -0.03 0.00 -0.57 0.00 0.00 43.02 41.36 3frp s PHE 457 CO 0.11 0.13 -0.05 0.99 -0.10 0.00 0.00 175.22 176.31 3frp s THR 458 N -0.93 3.78 0.10 0.64 2.01 -0.68 -1.76 115.64 118.80 3frp s THR 458 Ca 0.07 -0.40 0.06 0.00 0.31 0.00 0.00 61.69 61.74 3frp s THR 458 Cb -0.09 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 3frp s THR 458 CO 0.03 0.50 -0.16 -0.72 -0.69 0.00 0.00 174.62 173.57 3frp s TYR 459 N 0.38 1.47 -0.05 4.92 -0.85 -1.10 -0.39 117.35 121.74 3frp s TYR 459 Ca -0.05 -0.47 0.01 0.00 -0.52 0.00 0.00 57.07 56.04 3frp s TYR 459 Cb -0.14 -0.80 0.02 0.00 0.38 0.00 0.00 41.96 41.42 3frp s TYR 459 CO 0.03 0.14 -0.04 -0.51 -1.52 0.00 0.00 175.55 173.65 3frp s LEU 460 N -2.04 1.25 -0.22 -3.49 1.02 0.23 -2.93 118.68 112.50 3frp s LEU 460 Ca 0.04 -0.12 -0.08 0.00 0.02 0.00 0.00 54.13 53.99 3frp s LEU 460 Cb -0.08 -0.45 -0.04 0.00 0.02 0.00 0.00 46.19 45.64 3frp s LEU 460 CO 0.03 -0.07 0.10 -0.63 0.02 0.00 0.00 176.35 175.80 3frp s ILE 461 N 1.04 4.85 -0.12 -0.59 1.01 0.19 -1.62 121.20 125.96 3frp s ILE 461 Ca -0.09 -0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.57 3frp s ILE 461 Cb -0.14 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 3frp s ILE 461 CO -0.01 0.39 -0.17 -0.76 0.00 0.00 0.00 174.94 174.39 3frp s LEU 462 N 0.94 2.51 -0.03 2.97 1.43 -0.20 -0.21 118.68 126.08 3frp s LEU 462 Ca 0.05 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3frp s LEU 462 Cb -0.14 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.57 3frp s LEU 462 CO 0.03 0.16 0.07 0.21 0.23 0.00 0.00 176.35 177.05 3frp s ASN 463 N 0.34 -0.00 -1.71 2.29 3.84 -0.96 -0.62 114.94 118.13 3frp s ASN 463 Ca -0.14 0.12 0.00 0.00 0.21 0.00 0.00 52.86 53.06 3frp s ASN 463 Cb -0.17 0.04 0.00 0.00 -0.55 0.00 0.00 41.25 40.57 3frp s ASN 463 CO 0.07 -0.11 0.00 0.29 -2.79 0.00 0.00 177.10 174.56 3frp n LYS 464 N 3.95 -1.71 -0.50 0.43 5.02 -1.26 -2.61 118.16 121.48 3frp n LYS 464 Ca -0.24 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 3frp n LYS 464 Cb 0.53 -5.53 0.00 0.00 -0.02 0.00 0.00 35.03 30.01 3frp n LYS 464 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3frp n GLY 465 N -0.79 0.75 3.34 0.72 0.00 -1.26 -5.00 105.19 102.95 3frp n GLY 465 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 3frp n GLY 465 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3frp s LYS 466 N -0.50 1.28 -0.34 1.61 1.02 -1.07 -4.85 119.74 116.89 3frp s LYS 466 Ca 0.00 -1.37 -0.27 0.00 0.02 0.00 0.00 55.97 54.34 3frp s LYS 466 Cb 0.00 -1.43 0.01 0.00 -0.52 0.00 0.00 37.83 35.89 3frp s LYS 466 CO 0.00 0.30 0.99 -1.50 -0.92 0.00 0.00 175.35 174.23 3frp s ILE 467 N -1.78 4.55 -0.09 2.17 2.07 -1.26 -2.26 121.20 124.59 3frp s ILE 467 Ca 0.14 1.47 -0.01 0.00 -1.41 0.00 0.00 60.65 60.85 3frp s ILE 467 Cb -0.07 -4.36 -0.00 0.00 0.13 0.00 0.00 42.46 38.15 3frp s ILE 467 CO 0.07 -0.49 -0.01 0.15 -1.91 0.00 0.00 174.94 172.74 3frp h PHE 468 N 8.27 0.00 -4.09 3.50 3.57 -0.90 -3.40 116.94 123.88 3frp h PHE 468 Ca -0.22 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.12 3frp h PHE 468 Cb 1.07 0.00 -0.17 0.00 2.79 0.00 0.00 35.95 39.64 3frp h PHE 468 CO 0.83 0.00 -0.69 0.21 -2.23 0.00 0.00 178.31 176.43 3frp s LYS 469 N -1.53 0.56 -0.02 1.11 2.20 -1.14 -4.99 119.74 115.92 3frp s LYS 469 Ca -0.01 -1.04 -0.02 0.00 -0.36 0.00 0.00 55.97 54.54 3frp s LYS 469 Cb 0.00 0.09 0.01 0.00 -1.51 0.00 0.00 37.83 36.42 3frp s LYS 469 CO 0.02 -0.07 0.05 0.08 -0.36 0.00 0.00 175.35 175.07 3frp s VAL 470 N -3.06 -0.01 0.31 4.02 1.01 -1.26 -0.64 120.40 120.78 3frp s VAL 470 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 3frp s VAL 470 Cb 0.02 -0.08 0.01 0.00 0.00 0.00 0.00 36.38 36.32 3frp s VAL 470 CO -0.06 0.01 0.54 -0.83 0.00 0.00 0.00 175.10 174.75 3frp s GLY 471 N 0.14 0.88 0.12 4.51 0.00 -1.15 -5.04 107.32 106.78 3frp s GLY 471 Ca -0.01 -1.10 0.10 0.00 0.00 0.00 0.00 44.72 43.70 3frp s GLY 471 CO -0.00 -0.71 -0.23 0.50 0.00 0.00 0.00 173.10 172.66 3frp s ARG 472 N -3.33 1.62 -0.23 2.90 1.81 -1.26 -2.69 118.95 117.77 3frp s ARG 472 Ca 0.24 -1.25 -0.01 0.00 -1.72 0.00 0.00 55.73 52.99 3frp s ARG 472 Cb -0.01 -2.01 0.07 0.00 -0.45 0.00 0.00 34.95 32.54 3frp s ARG 472 CO 0.14 0.47 0.01 -1.14 -0.68 0.00 0.00 175.30 174.10 3frp s GLN 473 N -2.02 1.03 0.39 3.54 2.00 -0.72 -4.96 119.66 118.92 3frp s GLN 473 Ca 0.16 -0.73 -0.27 0.00 -2.00 0.00 0.00 55.36 52.52 3frp s GLN 473 Cb -0.10 -2.29 -0.09 0.00 0.80 0.00 0.00 33.01 31.32 3frp s GLN 473 CO 0.07 -0.67 1.31 -2.14 -0.50 0.00 0.00 175.29 173.36 3frp s PRO 474 N 1.64 4.04 -0.11 1.67 0.02 -1.26 -0.42 135.00 140.58 3frp s PRO 474 Ca -0.01 2.19 0.03 0.00 0.02 0.00 0.00 61.00 63.22 3frp s PRO 474 Cb -0.18 -2.82 -0.00 0.00 0.02 0.00 0.00 34.50 31.52 3frp s PRO 474 CO -0.09 -0.44 -0.20 0.50 -0.33 0.00 0.00 177.00 176.43 3frp s ARG 475 N -2.16 3.15 0.46 5.54 3.52 -0.50 -4.86 118.95 124.10 3frp s ARG 475 Ca 0.55 -0.82 -0.02 0.00 -0.13 0.00 0.00 55.73 55.31 3frp s ARG 475 Cb -0.39 -2.42 -0.02 0.00 -1.56 0.00 0.00 34.95 30.57 3frp s ARG 475 CO 0.50 0.16 0.72 1.03 -0.81 0.00 0.00 175.30 176.90 3frp s ARG 476 N 0.41 3.28 0.24 5.12 0.52 -1.26 -4.52 118.95 122.73 3frp s ARG 476 Ca -0.15 -0.16 -0.30 0.00 -0.52 0.00 0.00 55.73 54.60 3frp s ARG 476 Cb -0.17 -2.48 -0.09 0.00 0.52 0.00 0.00 34.95 32.73 3frp s ARG 476 CO 0.07 -0.23 1.29 0.34 0.02 0.00 0.00 175.30 176.78 3frp s ASP 477 N -4.16 6.91 0.00 0.23 2.15 -1.26 -2.44 116.67 118.10 3frp s ASP 477 Ca 0.47 2.45 0.00 0.00 0.43 0.00 0.00 52.55 55.90 3frp s ASP 477 Cb -0.10 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 3frp s ASP 477 CO 0.41 -0.49 0.00 0.61 -0.17 0.00 0.00 175.17 175.53 3frp n GLY 478 N 1.89 2.82 3.56 2.66 0.00 -1.26 -5.01 105.19 109.84 3frp n GLY 478 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3frp n GLY 478 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3frp s GLN 479 N -0.32 3.02 0.00 1.61 -0.21 -1.02 -4.75 119.66 117.99 3frp s GLN 479 Ca 0.00 -0.52 0.25 0.00 0.02 0.00 0.00 55.36 55.11 3frp s GLN 479 Cb 0.00 -5.03 0.42 0.00 1.00 0.00 0.00 33.01 29.40 3frp s GLN 479 CO 0.00 -2.75 1.35 0.09 -2.12 0.00 0.00 175.29 171.86 3frp n ASN 480 N 11.47 1.18 -3.97 5.90 3.02 -1.26 -4.71 115.26 126.90 3frp n ASN 480 Ca 0.32 -0.94 -0.30 0.00 -0.03 0.00 0.00 54.58 53.63 3frp n ASN 480 Cb 0.49 0.33 -0.16 0.00 -0.61 0.00 0.00 39.78 39.83 3frp n ASN 480 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3frp s LEU 481 N -2.64 2.17 -0.14 3.41 0.20 -1.26 -1.70 118.68 118.73 3frp s LEU 481 Ca 0.19 -0.88 0.01 0.00 0.69 0.00 0.00 54.13 54.14 3frp s LEU 481 Cb 0.18 -1.16 0.02 0.00 -0.43 0.00 0.00 46.19 44.81 3frp s LEU 481 CO 0.60 -0.17 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.66 3frp s VAL 482 N 1.45 1.54 -0.09 1.68 1.01 -0.42 -4.98 120.40 120.60 3frp s VAL 482 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3frp s VAL 482 Cb -0.16 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3frp s VAL 482 CO -0.08 0.45 -0.09 0.28 0.00 0.00 0.00 175.10 175.67 3frp s THR 483 N 1.36 3.49 0.29 3.92 -1.32 -1.26 0.41 115.64 122.52 3frp s THR 483 Ca 0.02 -0.54 0.02 0.00 -1.21 0.00 0.00 61.69 59.98 3frp s THR 483 Cb -0.13 -2.44 -0.06 0.00 -1.51 0.00 0.00 72.50 68.36 3frp s THR 483 CO -0.08 0.56 0.08 0.00 -2.21 0.00 0.00 174.62 172.97 3frp s MET 484 N -0.36 1.51 -0.12 7.08 0.23 -0.44 -4.98 119.30 122.23 3frp s MET 484 Ca 0.05 -1.83 -0.02 0.00 -1.03 0.00 0.00 55.69 52.86 3frp s MET 484 Cb -0.12 -0.51 -0.03 0.00 -1.53 0.00 0.00 34.83 32.64 3frp s MET 484 CO 0.02 -0.25 -0.05 1.21 -2.03 0.00 0.00 175.02 173.92 3frp s ASN 485 N -3.39 4.75 -0.22 -1.18 2.47 -1.26 -0.49 114.94 115.62 3frp s ASN 485 Ca 0.37 -0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.58 3frp s ASN 485 Cb 0.08 -1.54 0.03 0.00 -1.45 0.00 0.00 41.25 38.38 3frp s ASN 485 CO 0.14 0.26 -0.12 -0.22 -3.72 0.00 0.00 177.10 173.44 3frp s LEU 486 N -0.17 2.84 -0.21 3.21 2.96 0.32 -4.95 118.68 122.69 3frp s LEU 486 Ca 0.03 -0.89 -0.21 0.00 -0.22 0.00 0.00 54.13 52.84 3frp s LEU 486 Cb -0.13 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 3frp s LEU 486 CO 0.03 -0.09 0.66 -2.28 -1.32 0.00 0.00 176.35 173.34 3frp s HIS 487 N 1.27 3.35 -0.25 5.38 5.65 -1.26 -0.38 115.29 129.05 3frp s HIS 487 Ca 0.00 0.94 -0.17 0.00 0.25 0.00 0.00 55.06 56.08 3frp s HIS 487 Cb -0.16 -2.84 -0.03 0.00 -1.18 0.00 0.00 32.58 28.37 3frp s HIS 487 CO -0.08 -0.22 0.48 0.42 -0.65 0.00 0.00 174.74 174.69 3frp s ILE 488 N 2.11 5.10 0.45 0.89 1.09 -0.50 -5.02 121.20 125.32 3frp s ILE 488 Ca 0.29 0.82 0.08 0.00 -1.10 0.00 0.00 60.65 60.74 3frp s ILE 488 Cb -0.16 -3.80 0.01 0.00 -1.06 0.00 0.00 42.46 37.45 3frp s ILE 488 CO 0.10 0.12 0.50 0.42 -0.10 0.00 0.00 174.94 175.97 3frp s THR 489 N 2.16 2.60 -0.77 2.92 -4.23 -1.26 -0.28 115.64 116.78 3frp s THR 489 Ca 0.20 -1.20 0.12 0.00 -1.18 0.00 0.00 61.69 59.63 3frp s THR 489 Cb -0.16 -2.80 0.11 0.00 1.34 0.00 0.00 72.50 70.99 3frp s THR 489 CO 0.09 0.00 1.37 -2.65 -0.54 0.00 0.00 174.62 172.89 3frp n PRO 490 N -1.76 0.06 0.30 3.99 -0.02 -1.26 -2.45 135.00 133.86 3frp n PRO 490 Ca 0.06 0.44 0.16 0.00 -2.02 0.00 0.00 63.50 62.14 3frp n PRO 490 Cb 0.61 -1.64 0.92 0.00 -0.02 0.00 0.00 33.50 33.37 3frp n PRO 490 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3frp h ASP 491 N 0.00 0.00 -0.22 2.55 3.32 -1.95 -2.54 116.42 117.58 3frp h ASP 491 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3frp h ASP 491 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3frp h ASP 491 CO 0.00 0.04 0.00 0.18 -1.72 0.00 0.00 179.24 177.74 3frp n LEU 492 N -3.54 1.54 -4.77 1.55 4.77 -1.02 -4.88 117.00 110.64 3frp n LEU 492 Ca -0.02 -0.71 -0.38 0.00 -0.03 0.00 0.00 56.01 54.86 3frp n LEU 492 Cb 0.14 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3frp n LEU 492 CO 0.26 0.35 0.68 -0.63 -1.33 0.00 0.00 177.39 176.73 3frp s ILE 493 N -1.71 3.98 -1.23 -0.08 1.01 -0.96 -1.76 121.20 120.46 3frp s ILE 493 Ca 0.26 1.80 0.25 0.00 0.00 0.00 0.00 60.65 62.97 3frp s ILE 493 Cb 0.14 -4.07 0.08 0.00 0.01 0.00 0.00 42.46 38.62 3frp s ILE 493 CO 0.20 0.29 1.46 -0.81 0.00 0.00 0.00 174.94 176.07 3frp n PRO 494 N 0.91 0.26 -3.62 2.79 -0.04 -1.26 -4.85 135.00 129.18 3frp n PRO 494 Ca 0.00 -0.15 -0.04 0.00 -0.04 0.00 0.00 63.50 63.27 3frp n PRO 494 Cb 0.48 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 3frp n PRO 494 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3frp s SER 495 N -2.85 -0.13 0.20 3.54 1.04 -0.72 -1.30 113.70 113.49 3frp s SER 495 Ca 0.15 0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.72 3frp s SER 495 Cb 0.18 0.11 -0.05 0.00 0.10 0.00 0.00 66.02 66.36 3frp s SER 495 CO 0.65 -0.14 -0.03 0.72 0.98 0.00 0.00 173.24 175.42 3frp s PHE 496 N -1.38 1.43 -0.08 5.02 -0.71 -0.44 -4.53 117.98 117.30 3frp s PHE 496 Ca 0.07 -0.90 0.01 0.00 -1.04 0.00 0.00 56.93 55.06 3frp s PHE 496 Cb -0.01 -0.81 -0.03 0.00 -1.21 0.00 0.00 43.02 40.97 3frp s PHE 496 CO -0.05 -0.04 -0.07 1.03 -1.34 0.00 0.00 175.22 174.75 3frp s ARG 497 N -3.84 2.84 -0.31 1.99 0.52 0.21 -1.31 118.95 119.05 3frp s ARG 497 Ca 0.25 -0.56 -0.06 0.00 -0.52 0.00 0.00 55.73 54.83 3frp s ARG 497 Cb 0.05 -2.60 0.03 0.00 0.52 0.00 0.00 34.95 32.94 3frp s ARG 497 CO 0.06 0.60 0.08 0.12 0.02 0.00 0.00 175.30 176.18 3frp s PHE 498 N -0.64 3.20 -0.04 -0.53 5.36 -0.75 -1.04 117.98 123.54 3frp s PHE 498 Ca 0.10 -1.26 0.07 0.00 -0.96 0.00 0.00 56.93 54.88 3frp s PHE 498 Cb -0.11 -2.25 -0.01 0.00 -0.34 0.00 0.00 43.02 40.30 3frp s PHE 498 CO 0.02 -0.67 -0.24 0.54 -1.46 0.00 0.00 175.22 173.41 3frp s VAL 499 N 1.43 1.90 0.05 3.12 0.11 -0.64 -1.80 120.40 124.58 3frp s VAL 499 Ca 0.00 -1.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.06 3frp s VAL 499 Cb -0.18 -1.60 -0.03 0.00 -1.53 0.00 0.00 36.38 33.04 3frp s VAL 499 CO 0.02 0.54 -0.06 0.00 -3.33 0.00 0.00 175.10 172.27 3frp s ALA 500 N -0.34 0.57 -0.05 1.54 0.00 -0.81 0.76 121.76 123.43 3frp s ALA 500 Ca 0.03 -0.93 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 3frp s ALA 500 Cb -0.11 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.17 3frp s ALA 500 CO 0.01 -0.15 0.40 1.52 0.00 0.00 0.00 175.76 177.55 3frp s TYR 501 N -2.27 -0.33 0.31 0.00 -0.85 0.48 -1.97 117.35 112.71 3frp s TYR 501 Ca -0.04 0.62 0.09 0.00 -0.52 0.00 0.00 57.07 57.23 3frp s TYR 501 Cb -0.04 0.17 -0.05 0.00 0.38 0.00 0.00 41.96 42.42 3frp s TYR 501 CO -0.02 -0.39 0.04 1.52 -1.52 0.00 0.00 175.55 175.17 3frp s TYR 502 N -0.95 2.66 -0.04 -3.49 -0.85 -0.73 -1.68 117.35 112.26 3frp s TYR 502 Ca -0.10 -0.32 0.05 0.00 -0.52 0.00 0.00 57.07 56.18 3frp s TYR 502 Cb -0.04 -1.39 -0.01 0.00 0.38 0.00 0.00 41.96 40.90 3frp s TYR 502 CO 0.04 0.50 -0.19 1.14 -1.52 0.00 0.00 175.55 175.53 3frp s GLN 503 N -3.73 1.89 -0.22 -3.49 1.03 -1.26 -0.75 119.66 113.12 3frp s GLN 503 Ca 0.34 -0.69 -0.06 0.00 0.04 0.00 0.00 55.36 54.99 3frp s GLN 503 Cb -0.04 -1.67 -0.03 0.00 0.03 0.00 0.00 33.01 31.31 3frp s GLN 503 CO 0.21 0.31 0.03 0.08 -2.54 0.00 0.00 175.29 173.38 3frp s VAL 504 N -0.12 4.14 -1.56 3.63 1.01 0.93 -4.72 120.40 123.71 3frp s VAL 504 Ca -0.01 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 3frp s VAL 504 Cb -0.11 -2.90 0.09 0.00 0.00 0.00 0.00 36.38 33.46 3frp s VAL 504 CO 0.02 0.39 0.73 0.61 0.00 0.00 0.00 175.10 176.85 3frp n GLY 505 N 4.53 -0.39 2.30 4.51 0.00 -1.26 -2.36 105.19 112.52 3frp n GLY 505 Ca -0.17 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 3frp n GLY 505 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3frp n ASN 506 N -2.81 -4.33 0.00 1.61 3.02 -1.26 -4.69 115.26 106.79 3frp n ASN 506 Ca -0.06 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 3frp n ASN 506 Cb 0.56 -3.80 0.00 0.00 -0.61 0.00 0.00 39.78 35.93 3frp n ASN 506 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3frp n ASN 507 N -1.29 0.00 -4.70 6.41 6.94 -1.06 -4.40 115.26 117.15 3frp n ASN 507 Ca -0.17 0.00 -0.36 0.00 -0.02 0.00 0.00 54.58 54.03 3frp n ASN 507 Cb 0.57 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.91 3frp n ASN 507 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3frp s GLU 508 N 0.00 4.16 -0.12 -3.83 2.12 -0.99 -4.98 118.70 115.06 3frp s GLU 508 Ca 0.00 -0.17 -0.00 0.00 0.36 0.00 0.00 54.97 55.16 3frp s GLU 508 Cb 0.00 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.91 3frp s GLU 508 CO 0.00 0.20 -0.11 0.42 -0.54 0.00 0.00 175.26 175.22 3frp s ILE 509 N 0.65 3.21 -0.15 -3.70 1.01 -1.26 -0.05 121.20 120.91 3frp s ILE 509 Ca 0.10 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.14 3frp s ILE 509 Cb -0.12 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 40.02 3frp s ILE 509 CO 0.01 0.53 -0.17 -0.69 0.00 0.00 0.00 174.94 174.62 3frp s VAL 510 N 0.16 1.78 0.08 2.92 1.01 0.07 -4.74 120.40 121.67 3frp s VAL 510 Ca -0.06 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3frp s VAL 510 Cb -0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3frp s VAL 510 CO 0.04 0.49 -0.08 0.00 0.00 0.00 0.00 175.10 175.56 3frp s ALA 511 N 1.22 0.87 0.09 5.51 0.00 -1.26 -1.78 121.76 126.42 3frp s ALA 511 Ca 0.01 -1.14 -0.10 0.00 0.00 0.00 0.00 51.96 50.73 3frp s ALA 511 Cb -0.14 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.09 3frp s ALA 511 CO -0.08 -0.13 0.23 0.34 0.00 0.00 0.00 175.76 176.12 3frp s ASP 512 N -2.48 0.04 0.10 0.00 2.15 -0.83 -4.74 116.67 110.91 3frp s ASP 512 Ca 0.04 -0.56 -0.11 0.00 0.43 0.00 0.00 52.55 52.35 3frp s ASP 512 Cb -0.01 0.36 0.01 0.00 -0.30 0.00 0.00 42.92 42.98 3frp s ASP 512 CO -0.02 -0.74 0.26 -0.94 -0.17 0.00 0.00 175.17 173.56 3frp s SER 513 N -2.77 0.00 0.01 -0.34 1.04 -1.26 -1.93 113.70 108.45 3frp s SER 513 Ca 0.04 -0.52 -0.05 0.00 0.48 0.00 0.00 55.95 55.89 3frp s SER 513 Cb 0.04 0.38 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 3frp s SER 513 CO -0.10 -0.75 0.10 0.54 0.98 0.00 0.00 173.24 174.00 3frp s VAL 514 N -3.74 0.09 -0.23 5.02 0.11 -0.74 -1.63 120.40 119.27 3frp s VAL 514 Ca 0.04 -0.72 -0.07 0.00 -2.93 0.00 0.00 61.98 58.30 3frp s VAL 514 Cb 0.04 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 3frp s VAL 514 CO -0.11 -0.39 0.05 0.86 -3.33 0.00 0.00 175.10 172.18 3frp s TRP 515 N -1.35 3.09 -0.22 1.54 -0.00 -1.23 -1.81 118.94 118.97 3frp s TRP 515 Ca -0.14 -0.36 -0.02 0.00 -0.00 0.00 0.00 56.10 55.58 3frp s TRP 515 Cb -0.08 -2.18 0.01 0.00 -0.00 0.00 0.00 33.47 31.22 3frp s TRP 515 CO 0.01 -0.26 -0.09 0.08 -0.00 0.00 0.00 176.95 176.69 3frp s VAL 516 N 1.31 2.87 0.41 5.86 1.01 -0.42 -5.03 120.40 126.40 3frp s VAL 516 Ca 0.05 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 3frp s VAL 516 Cb -0.15 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.80 3frp s VAL 516 CO 0.03 0.36 1.06 -0.62 0.00 0.00 0.00 175.10 175.93 3frp s ASP 517 N 1.37 6.70 0.06 3.32 -1.08 -1.26 -1.33 116.67 124.45 3frp s ASP 517 Ca 0.03 2.06 0.06 0.00 -0.52 0.00 0.00 52.55 54.19 3frp s ASP 517 Cb -0.15 -2.59 -0.03 0.00 -1.46 0.00 0.00 42.92 38.70 3frp s ASP 517 CO -0.06 -0.53 -0.18 -0.69 0.52 0.00 0.00 175.17 174.23 3frp s VAL 518 N -1.65 1.43 0.19 1.11 1.01 -0.42 -4.19 120.40 117.89 3frp s VAL 518 Ca 0.58 -1.24 -0.32 0.00 0.00 0.00 0.00 61.98 61.01 3frp s VAL 518 Cb -0.23 -1.29 -0.11 0.00 0.00 0.00 0.00 36.38 34.75 3frp s VAL 518 CO 0.28 0.02 1.70 -0.75 0.00 0.00 0.00 175.10 176.35 3frp s LYS 519 N -1.42 4.14 -1.09 2.72 2.20 -0.12 -4.55 119.74 121.63 3frp s LYS 519 Ca 0.04 2.56 -0.18 0.00 -0.36 0.00 0.00 55.97 58.03 3frp s LYS 519 Cb -0.09 -3.13 0.12 0.00 -1.51 0.00 0.00 37.83 33.21 3frp s LYS 519 CO 0.02 -0.73 1.39 -0.51 -0.36 0.00 0.00 175.35 175.16 3frp s ASP 520 N 1.29 6.77 0.22 1.43 1.01 -1.26 -4.87 116.67 121.25 3frp s ASP 520 Ca 0.74 -2.27 0.02 0.00 0.71 0.00 0.00 52.55 51.76 3frp s ASP 520 Cb -0.48 -2.47 0.02 0.00 1.01 0.00 0.00 42.92 41.01 3frp s ASP 520 CO 0.32 -1.08 0.21 0.35 0.21 0.00 0.00 175.17 175.18 3frp n THR 521 N 5.69 0.00 -1.99 -1.27 -2.24 -1.26 -4.94 114.28 108.27 3frp n THR 521 Ca 0.34 -0.81 -0.34 0.00 -2.27 0.00 0.00 64.05 60.97 3frp n THR 521 Cb 0.47 -0.48 0.03 0.00 -2.10 0.00 0.00 70.33 68.25 3frp n THR 521 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3frp h MET 523 N 0.64 0.47 0.00 0.00 4.05 -1.99 -3.45 114.93 114.65 3frp h MET 523 Ca -0.49 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 58.71 3frp h MET 523 Cb 1.26 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 3frp h MET 523 CO 0.55 0.78 0.00 0.41 0.23 0.00 0.00 176.91 178.88 3frp n GLY 524 N 0.07 1.08 3.15 1.39 0.00 -1.26 -4.91 105.19 104.71 3frp n GLY 524 Ca -0.05 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 3frp n GLY 524 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3frp s THR 525 N 4.39 -0.01 -0.22 2.61 2.01 -1.26 -5.10 115.64 118.05 3frp s THR 525 Ca 0.00 0.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.99 3frp s THR 525 Cb 0.00 -0.41 0.11 0.00 0.01 0.00 0.00 72.50 72.21 3frp s THR 525 CO 0.00 0.02 0.41 -0.22 -0.69 0.00 0.00 174.62 174.14 3frp s LEU 526 N 0.53 -0.67 0.04 4.42 2.96 -1.25 -3.79 118.68 120.91 3frp s LEU 526 Ca -0.03 0.72 0.06 0.00 -0.22 0.00 0.00 54.13 54.66 3frp s LEU 526 Cb -0.05 1.30 -0.02 0.00 0.50 0.00 0.00 46.19 47.92 3frp s LEU 526 CO -0.03 -0.26 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.87 3frp s VAL 527 N 2.60 1.49 -0.37 1.68 1.01 -0.54 -5.01 120.40 121.26 3frp s VAL 527 Ca 0.04 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 3frp s VAL 527 Cb -0.13 -1.30 0.08 0.00 0.00 0.00 0.00 36.38 35.03 3frp s VAL 527 CO -0.14 0.18 0.14 -0.69 0.00 0.00 0.00 175.10 174.58 3frp s VAL 528 N -0.76 3.30 -0.02 2.92 1.01 -1.26 -1.75 120.40 123.83 3frp s VAL 528 Ca 0.06 -1.73 -0.13 0.00 0.00 0.00 0.00 61.98 60.18 3frp s VAL 528 Cb -0.08 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 3frp s VAL 528 CO 0.01 -0.46 0.36 -0.54 0.00 0.00 0.00 175.10 174.48 3frp s LYS 529 N 1.22 3.85 0.29 2.72 1.02 0.12 -4.93 119.74 124.02 3frp s LYS 529 Ca 0.03 0.32 -0.09 0.00 0.02 0.00 0.00 55.97 56.24 3frp s LYS 529 Cb -0.22 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 3frp s LYS 529 CO -0.02 0.69 0.48 0.20 -0.92 0.00 0.00 175.35 175.79 3frp s GLY 530 N -1.03 0.87 0.12 -3.33 0.00 -1.26 -1.35 107.32 101.33 3frp s GLY 530 Ca 0.22 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 43.86 3frp s GLY 530 CO 0.12 -0.76 1.26 1.29 0.00 0.00 0.00 173.10 175.01 3frp h ASP 531 N 2.21 0.16 -4.42 1.64 2.03 -1.99 -3.49 116.42 112.56 3frp h ASP 531 Ca -0.28 -0.16 -0.16 0.00 -0.73 0.00 0.00 57.03 55.71 3frp h ASP 531 Cb 1.25 -0.05 0.12 0.00 -0.83 0.00 0.00 39.33 39.81 3frp h ASP 531 CO 0.38 1.09 -0.50 0.59 -1.03 0.00 0.00 179.24 179.77 3frp n ASN 532 N -3.46 -4.37 -4.17 4.15 3.02 -1.26 -5.07 115.26 104.10 3frp n ASN 532 Ca -0.03 -0.41 -0.20 0.00 -0.03 0.00 0.00 54.58 53.90 3frp n ASN 532 Cb 0.94 -3.30 -0.13 0.00 -0.61 0.00 0.00 39.78 36.67 3frp n ASN 532 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 3frp s LEU 533 N -4.45 2.20 0.30 3.41 0.05 -1.26 -5.12 118.68 113.81 3frp s LEU 533 Ca 0.23 -0.51 -0.29 0.00 0.05 0.00 0.00 54.13 53.61 3frp s LEU 533 Cb -0.03 -0.63 -0.11 0.00 -2.05 0.00 0.00 46.19 43.37 3frp s LEU 533 CO 0.44 0.02 1.46 -0.63 -0.55 0.00 0.00 176.35 177.09 3frp s ILE 534 N -0.95 2.41 0.47 1.48 1.01 -1.26 -4.99 121.20 119.37 3frp s ILE 534 Ca 0.02 0.37 0.02 0.00 0.00 0.00 0.00 60.65 61.06 3frp s ILE 534 Cb -0.09 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 3frp s ILE 534 CO 0.02 0.07 0.06 -1.10 0.00 0.00 0.00 174.94 173.98 3frp s GLN 535 N -0.98 2.08 0.02 2.79 -1.52 -1.26 -5.16 119.66 115.63 3frp s GLN 535 Ca 0.57 -2.31 0.06 0.00 -1.95 0.00 0.00 55.36 51.73 3frp s GLN 535 Cb -0.44 -1.14 -0.02 0.00 -0.22 0.00 0.00 33.01 31.20 3frp s GLN 535 CO 0.50 -0.41 -0.17 -1.64 -0.25 0.00 0.00 175.29 173.32 3frp s MET 536 N -3.80 1.22 -0.31 2.91 -1.94 -1.26 -5.06 119.30 111.06 3frp s MET 536 Ca 0.14 -0.74 -0.34 0.00 -1.71 0.00 0.00 55.69 53.03 3frp s MET 536 Cb 0.02 -1.24 -0.11 0.00 2.01 0.00 0.00 34.83 35.52 3frp s MET 536 CO 0.08 0.32 2.15 -2.30 -0.01 0.00 0.00 175.02 175.26 3frp n PRO 537 N 2.20 1.29 0.00 2.03 -0.02 -1.26 -0.16 135.00 139.08 3frp n PRO 537 Ca -0.16 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3frp n PRO 537 Cb 0.54 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3frp n PRO 537 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3frp n GLY 538 N 6.16 1.90 3.71 -1.23 0.00 -1.26 -5.08 105.19 109.40 3frp n GLY 538 Ca 0.37 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 3frp n GLY 538 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3frp n ALA 539 N -1.05 1.48 -2.02 4.61 0.00 0.77 -4.91 120.51 119.39 3frp n ALA 539 Ca 0.00 0.29 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 3frp n ALA 539 Cb 0.00 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.13 3frp n ALA 539 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3frp s ALA 540 N -1.17 3.67 0.18 0.00 0.00 -1.26 -4.95 121.76 118.22 3frp s ALA 540 Ca 0.59 1.16 0.08 0.00 0.00 0.00 0.00 51.96 53.79 3frp s ALA 540 Cb -0.51 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 18.93 3frp s ALA 540 CO 0.59 -0.94 -0.06 -1.64 0.00 0.00 0.00 175.76 173.71 3frp s MET 541 N 2.10 2.17 -0.19 0.00 -1.94 -1.26 -5.10 119.30 115.08 3frp s MET 541 Ca 0.70 -1.22 -0.04 0.00 -1.71 0.00 0.00 55.69 53.42 3frp s MET 541 Cb -0.38 -2.22 0.09 0.00 2.01 0.00 0.00 34.83 34.32 3frp s MET 541 CO 0.31 0.44 0.20 0.21 -0.01 0.00 0.00 175.02 176.16 3frp s LYS 542 N -2.86 0.16 0.19 2.03 2.20 -1.26 -5.16 119.74 115.04 3frp s LYS 542 Ca 0.26 0.16 0.10 0.00 -0.36 0.00 0.00 55.97 56.13 3frp s LYS 542 Cb -0.09 -1.30 -0.04 0.00 -1.51 0.00 0.00 37.83 34.89 3frp s LYS 542 CO 0.16 -0.65 -0.13 0.96 -0.36 0.00 0.00 175.35 175.34 3frp s ILE 543 N 2.29 2.99 -0.02 5.43 -4.36 -1.26 -4.81 121.20 121.47 3frp s ILE 543 Ca 0.06 -1.79 0.06 0.00 -0.26 0.00 0.00 60.65 58.72 3frp s ILE 543 Cb -0.16 -2.48 -0.03 0.00 1.25 0.00 0.00 42.46 41.04 3frp s ILE 543 CO -0.11 -0.14 -0.18 -0.75 0.24 0.00 0.00 174.94 173.99 3frp s LYS 544 N -2.87 2.28 -0.20 0.37 2.20 -0.46 -4.98 119.74 116.06 3frp s LYS 544 Ca 0.25 -0.84 0.02 0.00 -0.36 0.00 0.00 55.97 55.03 3frp s LYS 544 Cb -0.08 -2.24 0.03 0.00 -1.51 0.00 0.00 37.83 34.03 3frp s LYS 544 CO 0.14 0.58 -0.17 -0.51 -0.36 0.00 0.00 175.35 175.03 3frp s LEU 545 N -0.91 2.50 -0.22 5.43 1.43 -1.26 -0.70 118.68 124.95 3frp s LEU 545 Ca 0.12 -0.86 -0.04 0.00 -1.03 0.00 0.00 54.13 52.31 3frp s LEU 545 Cb -0.10 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 3frp s LEU 545 CO 0.01 -0.05 -0.02 -1.61 0.23 0.00 0.00 176.35 174.91 3frp s GLU 546 N 1.24 3.45 0.00 1.70 2.02 -0.72 -5.01 118.70 121.38 3frp s GLU 546 Ca 0.01 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.41 3frp s GLU 546 Cb -0.15 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.02 3frp s GLU 546 CO -0.11 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.43 3frp n GLY 547 N 4.71 3.20 3.86 -1.39 0.00 -1.26 -1.46 105.19 112.84 3frp n GLY 547 Ca -0.18 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 3frp n GLY 547 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3frp s ASP 548 N 0.61 6.74 0.22 1.61 1.01 -1.25 -4.98 116.67 120.64 3frp s ASP 548 Ca 0.00 1.04 -0.31 0.00 0.71 0.00 0.00 52.55 53.99 3frp s ASP 548 Cb 0.00 -2.27 -0.11 0.00 1.01 0.00 0.00 42.92 41.55 3frp s ASP 548 CO 0.00 -0.00 1.59 -2.16 0.21 0.00 0.00 175.17 174.81 3frp s PRO 549 N -2.42 4.18 0.00 8.23 0.04 -1.26 -2.09 135.00 141.68 3frp s PRO 549 Ca 0.44 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.94 3frp s PRO 549 Cb -0.13 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.31 3frp s PRO 549 CO 0.20 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.03 3frp n GLY 550 N 3.16 0.51 3.75 0.56 0.00 -1.26 -5.05 105.19 106.87 3frp n GLY 550 Ca 0.12 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 3frp n GLY 550 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3frp s ALA 551 N -2.00 3.35 -0.35 4.61 0.00 -0.89 -5.04 121.76 121.45 3frp s ALA 551 Ca 0.00 0.50 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 3frp s ALA 551 Cb 0.00 -3.13 -0.00 0.00 0.00 0.00 0.00 23.12 19.99 3frp s ALA 551 CO 0.00 0.15 0.53 1.03 0.00 0.00 0.00 175.76 177.48 3frp s ARG 552 N -0.73 3.64 -0.15 0.00 0.52 -1.26 -5.03 118.95 115.94 3frp s ARG 552 Ca 0.41 -0.12 -0.04 0.00 -0.52 0.00 0.00 55.73 55.45 3frp s ARG 552 Cb -0.24 -3.81 -0.03 0.00 0.52 0.00 0.00 34.95 31.39 3frp s ARG 552 CO 0.29 -0.65 -0.00 0.08 0.02 0.00 0.00 175.30 175.03 3frp s VAL 553 N 2.44 4.24 -0.13 3.52 1.01 -1.26 -5.11 120.40 125.11 3frp s VAL 553 Ca 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 3frp s VAL 553 Cb -0.15 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3frp s VAL 553 CO 0.13 0.51 -0.10 -0.83 0.00 0.00 0.00 175.10 174.81 3frp s GLY 554 N 0.06 1.59 0.24 4.51 0.00 -1.26 -5.11 107.32 107.36 3frp s GLY 554 Ca 0.02 -0.87 0.11 0.00 0.00 0.00 0.00 44.72 43.98 3frp s GLY 554 CO 0.02 -0.18 -0.14 1.08 0.00 0.00 0.00 173.10 173.87 3frp s LEU 555 N 0.30 2.77 -0.14 0.66 1.43 -1.26 -5.13 118.68 117.31 3frp s LEU 555 Ca -0.08 -0.83 -0.29 0.00 -1.03 0.00 0.00 54.13 51.90 3frp s LEU 555 Cb -0.15 -1.35 0.07 0.00 0.03 0.00 0.00 46.19 44.79 3frp s LEU 555 CO 0.05 0.06 0.71 0.54 0.23 0.00 0.00 176.35 177.93 3frp s VAL 556 N -2.17 0.00 -0.12 -1.59 0.11 -1.26 -5.15 120.40 110.22 3frp s VAL 556 Ca 0.28 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.36 3frp s VAL 556 Cb -0.07 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 3frp s VAL 556 CO 0.15 0.00 -0.23 0.00 -3.33 0.00 0.00 175.10 171.69 3frp s ALA 557 N -0.56 2.22 -0.06 1.54 0.00 -1.26 -5.13 121.76 118.51 3frp s ALA 557 Ca -0.06 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 50.92 3frp s ALA 557 Cb -0.02 -0.90 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 3frp s ALA 557 CO 0.06 0.15 -0.20 0.08 0.00 0.00 0.00 175.76 175.85 3frp s VAL 558 N 0.55 1.69 0.12 0.00 1.01 -1.26 -5.10 120.40 117.41 3frp s VAL 558 Ca -0.14 -0.85 -0.31 0.00 0.00 0.00 0.00 61.98 60.68 3frp s VAL 558 Cb -0.17 -1.45 -0.10 0.00 0.00 0.00 0.00 36.38 34.66 3frp s VAL 558 CO 0.04 0.48 1.82 -0.62 0.00 0.00 0.00 175.10 176.82 3frp s ASP 559 N 0.05 6.43 0.63 3.32 -1.08 -1.26 -4.81 116.67 119.95 3frp s ASP 559 Ca -0.06 2.76 0.30 0.00 -0.52 0.00 0.00 52.55 55.02 3frp s ASP 559 Cb -0.13 -2.57 1.63 0.00 -1.46 0.00 0.00 42.92 40.39 3frp s ASP 559 CO 0.04 -1.00 1.91 0.50 0.52 0.00 0.00 175.17 177.14 3frp h LYS 560 N 8.53 0.00 0.00 4.34 3.64 -1.99 0.24 116.57 131.33 3frp h LYS 560 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3frp h LYS 560 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3frp h LYS 560 CO 0.95 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 178.13 3frp h ALA 561 N 1.42 1.00 -0.02 5.00 0.00 -1.88 -2.56 119.26 122.22 3frp h ALA 561 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 3frp h ALA 561 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.36 3frp h ALA 561 CO 0.00 0.00 -0.93 0.28 0.00 0.00 0.00 179.25 178.60 3frp h VAL 562 N 0.00 1.36 -0.89 0.00 2.07 -0.88 -3.24 116.25 114.67 3frp h VAL 562 Ca 0.00 -2.34 -0.01 0.00 0.82 0.00 0.00 66.70 65.17 3frp h VAL 562 Cb 0.33 2.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 3frp h VAL 562 CO 0.00 0.71 0.53 1.88 0.02 0.00 0.00 177.57 180.71 3frp h TYR 563 N 0.29 1.18 -0.85 1.57 0.99 -1.62 -2.83 116.97 115.71 3frp h TYR 563 Ca -0.08 -0.01 0.21 0.00 2.00 0.00 0.00 58.73 60.85 3frp h TYR 563 Cb 1.56 -0.39 -0.15 0.00 1.00 0.00 0.00 36.73 38.76 3frp h TYR 563 CO 0.07 0.79 0.04 0.28 -0.00 0.00 0.00 178.16 179.34 3frp h VAL 564 N 1.24 0.24 0.02 -2.88 2.07 -1.57 -2.59 116.25 112.77 3frp h VAL 564 Ca 0.32 -0.03 -0.21 0.00 0.82 0.00 0.00 66.70 67.59 3frp h VAL 564 Cb -0.04 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 3frp h VAL 564 CO -0.06 0.02 -1.01 -0.07 0.02 0.00 0.00 177.57 176.47 3frp h LEU 565 N 0.09 0.06 -7.00 2.57 3.38 -1.57 -3.47 115.31 109.36 3frp h LEU 565 Ca 0.48 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.46 3frp h LEU 565 Cb 0.91 -0.02 -0.26 0.00 0.09 0.00 0.00 40.66 41.39 3frp h LEU 565 CO -0.75 1.02 0.40 0.21 0.09 0.00 0.00 178.44 179.42 3frp s ASN 566 N -6.77 -0.50 0.00 -0.43 3.84 -0.98 -5.07 114.94 105.04 3frp s ASN 566 Ca 0.00 0.92 0.03 0.00 0.21 0.00 0.00 52.86 54.01 3frp s ASN 566 Cb 0.10 1.00 0.04 0.00 -0.55 0.00 0.00 41.25 41.84 3frp s ASN 566 CO 0.83 -0.15 0.84 -0.90 -2.79 0.00 0.00 177.10 174.92 3frp n ASP 567 N 2.64 -0.35 -0.09 -4.21 5.75 -1.26 -4.29 116.55 114.74 3frp n ASP 567 Ca -0.14 -1.64 0.08 0.00 -0.01 0.00 0.00 54.79 53.07 3frp n ASP 567 Cb 0.56 0.09 -0.07 0.00 -1.03 0.00 0.00 41.12 40.67 3frp n ASP 567 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3frp n LYS 568 N 0.05 1.64 -0.00 0.11 5.02 -1.26 -4.26 118.16 119.47 3frp n LYS 568 Ca -0.12 -0.20 0.10 0.00 -2.02 0.00 0.00 58.31 56.07 3frp n LYS 568 Cb 0.68 -1.27 -0.10 0.00 -0.02 0.00 0.00 35.03 34.31 3frp n LYS 568 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3frp n TYR 569 N -1.08 0.01 -2.36 2.13 4.01 -1.26 -5.00 117.16 113.61 3frp n TYR 569 Ca 0.04 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.43 3frp n TYR 569 Cb 0.28 -0.10 -0.01 0.00 -0.31 0.00 0.00 39.34 39.19 3frp n TYR 569 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 3frp s LYS 570 N -3.08 3.65 0.52 -0.72 -2.85 -1.26 -4.72 119.74 111.28 3frp s LYS 570 Ca 0.06 1.58 -0.19 0.00 -1.00 0.00 0.00 55.97 56.41 3frp s LYS 570 Cb 0.16 -2.18 -0.07 0.00 -2.06 0.00 0.00 37.83 33.68 3frp s LYS 570 CO 0.87 -0.59 1.06 -1.50 0.10 0.00 0.00 175.35 175.29 3frp s ILE 571 N -1.76 3.63 0.17 3.79 2.07 -1.26 -5.04 121.20 122.80 3frp s ILE 571 Ca 0.68 0.96 -0.23 0.00 -1.41 0.00 0.00 60.65 60.65 3frp s ILE 571 Cb -0.23 -3.39 0.07 0.00 0.13 0.00 0.00 42.46 39.04 3frp s ILE 571 CO 0.27 -0.27 0.63 -0.94 -1.91 0.00 0.00 174.94 172.72 3frp s SER 572 N -2.09 -0.52 0.23 4.50 1.04 -1.26 -5.05 113.70 110.55 3frp s SER 572 Ca 0.68 -0.07 -0.06 0.00 0.48 0.00 0.00 55.95 56.97 3frp s SER 572 Cb -0.18 0.61 0.23 0.00 0.10 0.00 0.00 66.02 66.77 3frp s SER 572 CO 0.25 -1.00 1.83 -0.61 0.98 0.00 0.00 173.24 174.69 3frp h GLN 573 N 2.00 1.18 0.00 4.02 5.75 -1.99 -2.65 115.11 123.42 3frp h GLN 573 Ca -0.32 -0.18 -0.03 0.00 -0.15 0.00 0.00 58.65 57.97 3frp h GLN 573 Cb 1.30 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 29.64 3frp h GLN 573 CO 0.36 0.91 -0.15 0.00 -2.65 0.00 0.00 178.83 177.30 3frp h ALA 574 N 1.25 1.71 0.04 3.38 0.00 -1.97 -1.46 119.26 122.22 3frp h ALA 574 Ca 0.28 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.83 3frp h ALA 574 Cb 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3frp h ALA 574 CO -0.03 0.19 -1.04 -0.22 0.00 0.00 0.00 179.25 178.15 3frp h LYS 575 N 0.00 0.10 -0.06 0.00 1.63 -1.89 -1.50 116.57 114.85 3frp h LYS 575 Ca -0.00 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.63 3frp h LYS 575 Cb 0.28 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 3frp h LYS 575 CO 0.02 1.04 0.01 0.82 -3.45 0.00 0.00 179.45 177.90 3frp h ILE 576 N 0.04 1.19 -0.05 2.00 2.04 -0.95 -2.58 117.51 119.19 3frp h ILE 576 Ca -0.05 -0.58 -0.10 0.00 1.00 0.00 0.00 64.86 65.13 3frp h ILE 576 Cb 1.76 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 39.30 3frp h ILE 576 CO 0.15 0.16 -0.42 -0.50 0.00 0.00 0.00 178.15 177.54 3frp h TRP 577 N -0.12 0.13 0.01 1.37 -0.00 -1.42 -2.77 115.95 113.15 3frp h TRP 577 Ca 0.02 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.89 58.87 3frp h TRP 577 Cb 0.24 -0.03 0.00 0.00 -0.00 0.00 0.00 29.16 29.37 3frp h TRP 577 CO 0.01 0.52 -0.00 0.22 -0.00 0.00 0.00 178.44 179.18 3frp h ASP 578 N 0.10 -0.01 -0.30 -3.49 3.58 -1.11 -2.04 116.42 113.14 3frp h ASP 578 Ca 0.01 -0.09 -0.16 0.00 0.42 0.00 0.00 57.03 57.20 3frp h ASP 578 Cb 0.79 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 3frp h ASP 578 CO 0.06 0.09 -0.44 0.71 -2.88 0.00 0.00 179.24 176.78 3frp h THR 579 N -0.11 1.28 -0.68 2.25 1.35 -1.44 -0.37 112.91 115.18 3frp h THR 579 Ca -0.00 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 3frp h THR 579 Cb 0.10 1.48 -0.03 0.00 -1.73 0.00 0.00 68.15 67.97 3frp h THR 579 CO 0.00 0.53 0.43 -0.29 -0.25 0.00 0.00 175.52 175.95 3frp h ILE 580 N 0.69 1.19 -0.02 6.82 -0.00 -1.49 -2.85 117.51 121.85 3frp h ILE 580 Ca 0.05 -0.38 -0.00 0.00 -0.00 0.00 0.00 64.86 64.53 3frp h ILE 580 Cb 1.02 0.21 -0.00 0.00 -0.00 0.00 0.00 36.82 38.05 3frp h ILE 580 CO 0.10 0.19 0.01 -0.33 -0.00 0.00 0.00 178.15 178.11 3frp h GLU 581 N 0.93 0.03 0.00 2.19 4.39 -0.96 -2.90 114.58 118.25 3frp h GLU 581 Ca 0.25 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.94 3frp h GLU 581 Cb -0.07 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3frp h GLU 581 CO -0.05 0.20 0.09 1.63 -1.16 0.00 0.00 179.01 179.72 3frp n LYS 582 N -4.98 0.00 -0.06 2.33 5.02 -0.18 -0.56 118.16 119.72 3frp n LYS 582 Ca -0.07 0.27 0.05 0.00 -2.02 0.00 0.00 58.31 56.54 3frp n LYS 582 Cb 0.11 -1.59 0.07 0.00 -0.02 0.00 0.00 35.03 33.60 3frp n LYS 582 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3frp n SER 583 N -1.24 1.99 -4.68 4.39 3.41 -1.10 -4.90 113.62 111.49 3frp n SER 583 Ca 0.00 -2.51 -0.45 0.00 -0.26 0.00 0.00 58.87 55.65 3frp n SER 583 Cb 0.09 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 3frp n SER 583 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3frp n ASP 584 N -0.93 3.06 0.24 4.04 -0.08 0.28 -4.91 116.55 118.24 3frp n ASP 584 Ca 0.08 1.11 0.13 0.00 -1.51 0.00 0.00 54.79 54.61 3frp n ASP 584 Cb 0.48 -1.45 0.34 0.00 2.34 0.00 0.00 41.12 42.84 3frp n ASP 584 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 3frp h PHE 585 N 5.16 0.00 -3.87 -0.67 0.04 -1.89 -3.44 116.94 112.26 3frp h PHE 585 Ca -0.45 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 59.85 3frp h PHE 585 Cb 1.26 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.39 3frp h PHE 585 CO 0.60 0.03 0.36 0.20 -0.60 0.00 0.00 178.31 178.89 3frp s GLY 586 N -4.21 2.84 0.00 -1.45 0.00 -1.26 -4.09 107.32 99.15 3frp s GLY 586 Ca 0.05 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.33 3frp s GLY 586 CO 0.63 1.02 0.48 0.00 0.00 0.00 0.00 173.10 175.23 3frp s THR 588 N -0.00 0.66 -2.06 0.00 2.01 -1.23 -5.03 115.64 109.99 3frp s THR 588 Ca 0.00 -1.94 0.15 0.00 0.31 0.00 0.00 61.69 60.21 3frp s THR 588 Cb 0.00 -1.77 0.39 0.00 0.01 0.00 0.00 72.50 71.13 3frp s THR 588 CO 0.00 -0.79 1.50 0.00 -0.69 0.00 0.00 174.62 174.64 3frp n ALA 589 N -0.08 2.55 0.00 7.40 0.00 -1.26 -4.88 120.51 124.25 3frp n ALA 589 Ca -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3frp n ALA 589 Cb 0.61 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3frp n ALA 589 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3frp n GLY 590 N 0.83 0.81 7.00 0.00 0.00 -1.26 -3.48 105.19 109.10 3frp n GLY 590 Ca 0.11 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.87 3frp n GLY 590 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3frp n SER 591 N 0.47 -0.63 0.00 1.61 2.88 -0.65 -4.36 113.62 112.95 3frp n SER 591 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3frp n SER 591 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3frp n SER 591 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3frp n GLY 592 N 0.00 -0.90 0.23 0.46 0.00 -1.26 -4.12 105.19 99.60 3frp n GLY 592 Ca 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 46.02 44.95 3frp n GLY 592 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3frp h GLN 593 N 0.00 0.45 0.00 1.61 1.08 -1.91 -3.39 115.11 112.95 3frp h GLN 593 Ca 0.00 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3frp h GLN 593 Cb 0.00 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.33 3frp h GLN 593 CO 0.00 0.30 0.11 0.27 -0.95 0.00 0.00 178.83 178.56 3frp n ASN 594 N -4.94 -0.61 -0.34 1.46 0.23 -1.26 -0.49 115.26 109.31 3frp n ASN 594 Ca 0.08 -1.40 -0.10 0.00 -0.53 0.00 0.00 54.58 52.63 3frp n ASN 594 Cb 0.23 1.02 -0.07 0.00 -2.08 0.00 0.00 39.78 38.87 3frp n ASN 594 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3frp h ASN 595 N 0.57 -1.92 -0.72 0.53 7.08 -1.85 -0.73 115.58 118.54 3frp h ASN 595 Ca -0.09 0.30 0.15 0.00 -3.08 0.00 0.00 56.30 53.58 3frp h ASN 595 Cb 0.35 0.86 -0.11 0.00 -2.08 0.00 0.00 38.32 37.35 3frp h ASN 595 CO 0.12 -0.28 0.16 -0.07 -2.08 0.00 0.00 177.43 175.27 3frp h LEU 596 N -0.10 -0.01 -0.81 6.14 4.07 -1.96 -2.45 115.31 120.19 3frp h LEU 596 Ca 0.17 0.14 -0.12 0.00 0.08 0.00 0.00 57.88 58.15 3frp h LEU 596 Cb 0.49 0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 3frp h LEU 596 CO -0.85 -0.04 -0.49 1.23 -1.08 0.00 0.00 178.44 177.21 3frp h GLY 597 N 0.26 0.28 0.63 0.83 0.00 -1.64 -1.35 103.07 102.08 3frp h GLY 597 Ca 0.40 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.47 3frp h GLY 597 CO -0.50 0.27 -0.05 -2.08 0.00 0.00 0.00 176.54 174.17 3frp h VAL 598 N 0.20 0.81 -0.34 4.60 2.07 -0.69 0.23 116.25 123.14 3frp h VAL 598 Ca 0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 3frp h VAL 598 Cb 0.94 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3frp h VAL 598 CO 0.08 0.00 0.04 -0.26 0.02 0.00 0.00 177.57 177.45 3frp h PHE 599 N -0.01 0.60 0.02 1.57 0.04 -1.43 -2.77 116.94 114.97 3frp h PHE 599 Ca 0.09 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3frp h PHE 599 Cb 0.14 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.13 3frp h PHE 599 CO -0.21 0.64 -0.01 0.93 -0.60 0.00 0.00 178.31 179.07 3frp h GLU 600 N 0.39 -0.03 0.00 1.51 5.08 -0.95 0.36 114.58 120.95 3frp h GLU 600 Ca 0.10 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3frp h GLU 600 Cb 0.37 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3frp h GLU 600 CO 0.01 -0.01 -0.14 -0.44 -1.00 0.00 0.00 179.01 177.43 3frp h ASP 601 N -0.03 0.00 -0.33 1.42 3.32 -0.58 -2.21 116.42 118.01 3frp h ASP 601 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3frp h ASP 601 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3frp h ASP 601 CO 0.00 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.66 3frp n ALA 602 N -2.26 2.46 -2.72 3.45 0.00 -1.01 -1.07 120.51 119.35 3frp n ALA 602 Ca -0.01 -0.71 -0.06 0.00 0.00 0.00 0.00 53.44 52.65 3frp n ALA 602 Cb 0.28 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.75 3frp n ALA 602 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3frp n GLY 603 N 1.22 0.47 3.36 0.00 0.00 -0.83 -4.20 105.19 105.21 3frp n GLY 603 Ca 0.16 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 3frp n GLY 603 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3frp s LEU 604 N -2.87 2.44 -0.05 0.99 1.43 0.12 -0.29 118.68 120.45 3frp s LEU 604 Ca 0.13 -0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 52.35 3frp s LEU 604 Cb -0.06 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 3frp s LEU 604 CO 0.20 0.01 0.02 0.00 0.23 0.00 0.00 176.35 176.82 3frp s ALA 605 N -1.95 3.36 -0.01 4.21 0.00 0.16 -3.97 121.76 123.56 3frp s ALA 605 Ca 0.18 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3frp s ALA 605 Cb -0.06 -1.48 0.01 0.00 0.00 0.00 0.00 23.12 21.59 3frp s ALA 605 CO 0.08 0.62 0.00 -1.17 0.00 0.00 0.00 175.76 175.29 3frp s LEU 606 N -1.19 1.63 -0.01 0.00 2.96 -1.26 -1.97 118.68 118.83 3frp s LEU 606 Ca 0.16 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 3frp s LEU 606 Cb -0.11 -0.09 0.01 0.00 0.50 0.00 0.00 46.19 46.50 3frp s LEU 606 CO 0.06 -0.04 -0.00 -0.89 -1.32 0.00 0.00 176.35 174.16 3frp s THR 607 N 0.43 0.10 0.50 3.68 2.01 -0.97 -2.24 115.64 119.14 3frp s THR 607 Ca -0.04 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.05 3frp s THR 607 Cb -0.06 -0.16 -0.01 0.00 0.01 0.00 0.00 72.50 72.28 3frp s THR 607 CO -0.01 0.08 0.18 0.42 -0.69 0.00 0.00 174.62 174.60 3frp s THR 608 N 0.55 1.61 -0.38 -0.82 -4.23 -1.20 -1.16 115.64 110.01 3frp s THR 608 Ca -0.05 -1.76 0.27 0.00 -1.18 0.00 0.00 61.69 58.96 3frp s THR 608 Cb -0.08 -2.38 0.32 0.00 1.34 0.00 0.00 72.50 71.71 3frp s THR 608 CO -0.01 0.00 1.77 0.77 -0.54 0.00 0.00 174.62 176.61 3frp h SER 609 N 1.18 0.00 -0.93 3.99 4.64 -1.57 -2.75 113.55 118.11 3frp h SER 609 Ca -0.41 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.44 3frp h SER 609 Cb 1.29 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.10 3frp h SER 609 CO 0.68 0.00 0.60 0.35 -0.87 0.00 0.00 176.83 177.59 3frp n THR 610 N -2.70 3.09 -4.33 2.95 -2.24 -1.26 -4.95 114.28 104.84 3frp n THR 610 Ca 0.03 -1.81 -0.37 0.00 -2.27 0.00 0.00 64.05 59.63 3frp n THR 610 Cb 0.38 -0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 3frp n THR 610 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3frp n ASN 611 N -0.99 -1.94 -4.56 3.42 3.02 -1.04 -4.93 115.26 108.26 3frp n ASN 611 Ca 0.56 -1.13 -0.39 0.00 -0.03 0.00 0.00 54.58 53.59 3frp n ASN 611 Cb 1.60 -2.20 -0.03 0.00 -0.61 0.00 0.00 39.78 38.54 3frp n ASN 611 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3frp s LEU 612 N -7.25 3.35 -0.11 3.41 2.01 -1.26 -4.89 118.68 113.93 3frp s LEU 612 Ca 0.62 -0.95 0.02 0.00 0.01 0.00 0.00 54.13 53.82 3frp s LEU 612 Cb -0.35 -2.56 -0.01 0.00 0.01 0.00 0.00 46.19 43.28 3frp s LEU 612 CO 0.97 -1.85 -0.17 0.20 1.01 0.00 0.00 176.35 176.52 3frp s ASN 613 N 5.37 3.71 0.32 2.29 0.01 -1.26 -3.24 114.94 122.15 3frp s ASN 613 Ca 0.49 -0.39 -0.29 0.00 -0.71 0.00 0.00 52.86 51.96 3frp s ASN 613 Cb -0.04 -1.45 -0.10 0.00 0.41 0.00 0.00 41.25 40.07 3frp s ASN 613 CO -0.00 0.18 1.26 0.42 -1.51 0.00 0.00 177.10 177.45 3frp s THR 614 N 0.23 2.89 1.12 1.60 -4.23 -0.95 -5.00 115.64 111.30 3frp s THR 614 Ca -0.11 0.89 -0.13 0.00 -1.18 0.00 0.00 61.69 61.16 3frp s THR 614 Cb -0.16 -3.56 0.26 0.00 1.34 0.00 0.00 72.50 70.38 3frp s THR 614 CO 0.06 0.21 1.05 -1.59 -0.54 0.00 0.00 174.62 173.81 3frp s LYS 615 N -1.75 -0.59 0.20 3.99 -2.85 -1.26 -4.87 119.74 112.61 3frp s LYS 615 Ca 0.48 0.65 -0.30 0.00 -1.00 0.00 0.00 55.97 55.80 3frp s LYS 615 Cb -0.38 -1.61 -0.08 0.00 -2.06 0.00 0.00 37.83 33.71 3frp s LYS 615 CO 0.50 -3.45 1.02 -0.65 0.10 0.00 0.00 175.35 172.87 3frp s GLN 616 N -4.67 4.71 -0.22 1.78 -1.52 -1.26 -4.97 119.66 113.50 3frp s GLN 616 Ca 0.67 1.61 -0.29 0.00 -1.95 0.00 0.00 55.36 55.40 3frp s GLN 616 Cb -0.22 -3.28 -0.02 0.00 -0.22 0.00 0.00 33.01 29.27 3frp s GLN 616 CO 0.62 0.27 1.53 0.50 -0.25 0.00 0.00 175.29 177.96 3frp s ARG 617 N -0.77 3.88 0.00 2.91 6.06 -1.26 -4.96 118.95 124.80 3frp s ARG 617 Ca 0.45 1.61 0.00 0.00 -2.50 0.00 0.00 55.73 55.29 3frp s ARG 617 Cb -0.28 -3.98 0.00 0.00 0.06 0.00 0.00 34.95 30.75 3frp s ARG 617 CO 0.34 -1.19 0.83 0.45 -2.50 0.00 0.00 175.30 173.23 3frp n SER 618 N 8.06 0.00 -4.50 -2.12 2.88 -1.26 -4.85 113.62 111.83 3frp n SER 618 Ca 0.17 0.83 -0.28 0.00 -1.33 0.00 0.00 58.87 58.26 3frp n SER 618 Cb 0.45 -0.33 -0.11 0.00 -0.75 0.00 0.00 64.21 63.47 3frp n SER 618 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3frp s ALA 619 N -2.75 2.73 0.22 -1.46 0.00 -1.26 -5.05 121.76 114.19 3frp s ALA 619 Ca 0.00 -1.43 -0.05 0.00 0.00 0.00 0.00 51.96 50.47 3frp s ALA 619 Cb 0.00 -0.62 0.20 0.00 0.00 0.00 0.00 23.12 22.70 3frp s ALA 619 CO 0.00 0.53 1.68 0.00 0.00 0.00 0.00 175.76 177.97 3frp h ALA 620 N 3.42 0.94 -2.42 0.00 0.00 -1.98 -3.43 119.26 115.80 3frp h ALA 620 Ca -0.48 -0.31 -0.54 0.00 0.00 0.00 0.00 54.91 53.57 3frp h ALA 620 Cb 1.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3frp h ALA 620 CO 0.48 0.63 0.49 0.15 0.00 0.00 0.00 179.25 181.00 3frp s LYS 621 N -4.90 4.48 -0.02 0.00 1.02 -1.26 -4.87 119.74 114.19 3frp s LYS 621 Ca -0.10 1.58 -0.37 0.00 0.02 0.00 0.00 55.97 57.10 3frp s LYS 621 Cb 0.14 -3.43 -0.15 0.00 -0.52 0.00 0.00 37.83 33.86 3frp s LYS 621 CO 0.84 -0.19 1.55 0.00 -0.92 0.00 0.00 175.35 176.63