#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uoo n LEU 2 N 0.00 6.13 -1.36 -0.89 4.32 -1.26 -4.86 117.00 119.08 1uoo n LEU 2 Ca 0.00 -5.26 -0.07 0.00 -0.02 0.00 0.00 56.01 50.67 1uoo n LEU 2 Cb 0.00 -1.18 0.04 0.00 -1.62 0.00 0.00 43.42 40.66 1uoo n LEU 2 CO 0.00 1.76 0.75 -1.20 -1.22 0.00 0.00 177.39 177.48 1uoo n SER 3 N 1.18 3.46 -2.51 -1.43 7.64 -1.26 -4.80 113.62 115.89 1uoo n SER 3 Ca 0.27 -2.45 -0.12 0.00 1.01 0.00 0.00 58.87 57.58 1uoo n SER 3 Cb 0.34 -0.64 -0.04 0.00 -1.01 0.00 0.00 64.21 62.86 1uoo n SER 3 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1uoo n PHE 4 N 0.15 -0.15 -4.46 1.43 1.16 -1.26 -5.17 117.46 109.15 1uoo n PHE 4 Ca 0.16 -1.46 -0.20 0.00 -1.87 0.00 0.00 57.45 54.08 1uoo n PHE 4 Cb 0.78 0.07 -0.15 0.00 -1.61 0.00 0.00 39.48 38.57 1uoo n PHE 4 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1uoo s GLN 5 N -2.79 0.91 0.23 3.97 -0.21 -1.26 -5.13 119.66 115.37 1uoo s GLN 5 Ca 0.16 -0.38 -0.30 0.00 0.02 0.00 0.00 55.36 54.86 1uoo s GLN 5 Cb 0.01 -0.87 -0.09 0.00 1.00 0.00 0.00 33.01 33.06 1uoo s GLN 5 CO 0.11 0.22 1.35 0.71 -2.12 0.00 0.00 175.29 175.56 1uoo s TYR 6 N -0.18 3.16 0.48 0.91 2.02 -1.26 -4.97 117.35 117.51 1uoo s TYR 6 Ca 0.03 1.18 -0.24 0.00 -0.37 0.00 0.00 57.07 57.67 1uoo s TYR 6 Cb -0.05 -3.68 -0.07 0.00 -0.40 0.00 0.00 41.96 37.76 1uoo s TYR 6 CO -0.00 -2.14 1.35 -1.25 -1.57 0.00 0.00 175.55 171.94 1uoo s PRO 7 N -0.37 3.54 0.09 -1.71 0.04 -1.26 -4.95 135.00 130.38 1uoo s PRO 7 Ca 0.57 2.23 -0.31 0.00 0.04 0.00 0.00 61.00 63.52 1uoo s PRO 7 Cb -0.39 -2.50 -0.08 0.00 0.04 0.00 0.00 34.50 31.58 1uoo s PRO 7 CO 0.41 -0.87 1.48 -0.51 0.04 0.00 0.00 177.00 177.56 1uoo s ASP 8 N -0.82 6.74 -0.11 6.66 1.01 -1.26 -5.01 116.67 123.89 1uoo s ASP 8 Ca 0.64 2.37 0.01 0.00 0.71 0.00 0.00 52.55 56.28 1uoo s ASP 8 Cb -0.40 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 40.98 1uoo s ASP 8 CO 0.49 -0.75 -0.11 -0.69 0.21 0.00 0.00 175.17 174.32 1uoo s VAL 9 N 1.70 1.24 0.21 -1.27 1.01 -1.26 -5.08 120.40 116.95 1uoo s VAL 9 Ca 0.67 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.89 1uoo s VAL 9 Cb -0.38 -1.19 -0.10 0.00 0.00 0.00 0.00 36.38 34.72 1uoo s VAL 9 CO 0.30 0.40 1.47 -0.47 0.00 0.00 0.00 175.10 176.80 1uoo s TYR 10 N 1.33 3.06 -0.29 5.22 5.04 -1.26 -5.00 117.35 125.45 1uoo s TYR 10 Ca -0.01 0.90 -0.09 0.00 -2.44 0.00 0.00 57.07 55.43 1uoo s TYR 10 Cb -0.14 -3.84 -0.02 0.00 0.35 0.00 0.00 41.96 38.32 1uoo s TYR 10 CO -0.05 -2.86 0.14 1.03 -1.34 0.00 0.00 175.55 172.47 1uoo s ARG 11 N 0.22 3.51 -0.94 4.97 0.52 -1.26 -4.75 118.95 121.21 1uoo s ARG 11 Ca 0.63 -0.60 -0.21 0.00 -0.52 0.00 0.00 55.73 55.03 1uoo s ARG 11 Cb -0.42 -3.52 0.09 0.00 0.52 0.00 0.00 34.95 31.62 1uoo s ARG 11 CO 0.38 -0.32 1.26 0.34 0.02 0.00 0.00 175.30 176.98 1uoo s ASP 12 N 1.64 6.52 0.36 0.23 2.15 0.32 -4.85 116.67 123.04 1uoo s ASP 12 Ca 0.05 -1.65 0.27 0.00 0.43 0.00 0.00 52.55 51.66 1uoo s ASP 12 Cb -0.16 -2.48 1.12 0.00 -0.30 0.00 0.00 42.92 41.09 1uoo s ASP 12 CO 0.06 -1.31 1.81 -0.33 -0.17 0.00 0.00 175.17 175.23 1uoo h GLU 13 N 9.35 0.00 0.00 4.34 4.39 -1.94 -2.88 114.58 127.84 1uoo h GLU 13 Ca 0.13 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1uoo h GLU 13 Cb 1.02 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1uoo h GLU 13 CO 1.26 0.00 -0.10 1.79 -1.16 0.00 0.00 179.01 180.79 1uoo h THR 14 N 0.00 0.20 -0.13 1.13 1.35 -1.97 -3.41 112.91 110.08 1uoo h THR 14 Ca 0.00 -1.08 -0.58 0.00 -0.55 0.00 0.00 66.41 64.19 1uoo h THR 14 Cb 0.42 1.92 0.02 0.00 -1.73 0.00 0.00 68.15 68.79 1uoo h THR 14 CO 0.00 0.10 2.05 0.00 -0.25 0.00 0.00 175.52 177.42 1uoo n ALA 15 N -2.13 3.06 -3.06 6.62 0.00 -1.09 -4.88 120.51 119.03 1uoo n ALA 15 Ca 0.02 -3.28 -0.34 0.00 0.00 0.00 0.00 53.44 49.84 1uoo n ALA 15 Cb 0.50 -3.60 -0.13 0.00 0.00 0.00 0.00 19.45 16.22 1uoo n ALA 15 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1uoo s ILE 16 N 6.29 3.79 -0.01 0.00 1.01 -1.26 -1.00 121.20 130.01 1uoo s ILE 16 Ca 0.59 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.94 1uoo s ILE 16 Cb 0.11 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 1uoo s ILE 16 CO 0.11 0.47 -0.26 -1.58 0.00 0.00 0.00 174.94 173.69 1uoo s GLN 17 N 0.68 2.09 -0.26 2.79 0.74 0.18 -4.96 119.66 120.92 1uoo s GLN 17 Ca -0.02 -0.94 -0.20 0.00 0.05 0.00 0.00 55.36 54.25 1uoo s GLN 17 Cb -0.14 -2.05 -0.02 0.00 1.10 0.00 0.00 33.01 31.90 1uoo s GLN 17 CO 0.02 0.56 0.61 0.34 -0.55 0.00 0.00 175.29 176.27 1uoo s ASP 18 N -0.68 6.54 -0.45 6.67 2.15 -1.26 -0.47 116.67 129.17 1uoo s ASP 18 Ca 0.10 0.62 -0.05 0.00 0.43 0.00 0.00 52.55 53.66 1uoo s ASP 18 Cb -0.10 -2.32 0.12 0.00 -0.30 0.00 0.00 42.92 40.31 1uoo s ASP 18 CO -0.01 -0.37 0.27 -0.31 -0.17 0.00 0.00 175.17 174.58 1uoo s TYR 19 N 2.48 3.53 -1.67 -5.34 1.51 0.86 -4.79 117.35 113.93 1uoo s TYR 19 Ca 0.25 -2.28 -0.16 0.00 -1.01 0.00 0.00 57.07 53.87 1uoo s TYR 19 Cb -0.15 -3.31 0.14 0.00 -0.11 0.00 0.00 41.96 38.52 1uoo s TYR 19 CO 0.09 -0.97 0.74 0.72 -1.11 0.00 0.00 175.55 175.02 1uoo n HIS 20 N 4.59 -1.73 0.00 2.71 8.25 -1.26 -0.67 115.22 127.11 1uoo n HIS 20 Ca -0.03 0.79 0.00 0.00 -0.26 0.00 0.00 57.72 58.22 1uoo n HIS 20 Cb 0.41 -3.04 0.00 0.00 1.12 0.00 0.00 29.99 28.47 1uoo n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uoo n GLY 21 N -1.49 2.90 3.70 -1.41 0.00 -1.26 -5.05 105.19 102.57 1uoo n GLY 21 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1uoo n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1uoo s HIS 22 N -2.82 3.47 -0.24 1.61 5.65 0.16 -5.06 115.29 118.06 1uoo s HIS 22 Ca 0.00 0.93 -0.19 0.00 0.25 0.00 0.00 55.06 56.05 1uoo s HIS 22 Cb 0.00 -2.66 -0.02 0.00 -1.18 0.00 0.00 32.58 28.71 1uoo s HIS 22 CO 0.00 0.04 0.58 0.15 -0.65 0.00 0.00 174.74 174.85 1uoo s LYS 23 N 1.10 4.12 -0.12 2.88 -0.14 -1.26 -0.10 119.74 126.22 1uoo s LYS 23 Ca 0.28 0.47 0.01 0.00 -1.36 0.00 0.00 55.97 55.36 1uoo s LYS 23 Cb -0.16 -3.63 -0.01 0.00 -1.68 0.00 0.00 37.83 32.35 1uoo s LYS 23 CO 0.11 -0.33 -0.15 0.08 -0.76 0.00 0.00 175.35 174.30 1uoo s VAL 24 N 2.22 2.86 -0.16 3.17 1.01 0.38 -4.96 120.40 124.92 1uoo s VAL 24 Ca 0.25 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 1uoo s VAL 24 Cb -0.16 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 1uoo s VAL 24 CO 0.09 0.53 0.27 0.00 0.00 0.00 0.00 175.10 175.99 1uoo n ASP 26 N 3.41 2.50 0.20 0.00 2.03 -0.17 -4.96 116.55 119.55 1uoo n ASP 26 Ca -0.13 -3.19 0.14 0.00 0.52 0.00 0.00 54.79 52.13 1uoo n ASP 26 Cb 0.52 -0.65 0.67 0.00 -0.72 0.00 0.00 41.12 40.94 1uoo n ASP 26 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1uoo h PRO 27 N 3.98 0.00 -0.46 -0.67 0.13 -1.80 -1.97 132.00 131.21 1uoo h PRO 27 Ca 0.15 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.11 1uoo h PRO 27 Cb 0.74 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.77 1uoo h PRO 27 CO 0.70 0.00 0.09 0.66 -0.23 0.00 0.00 178.00 179.21 1uoo n TYR 28 N -2.52 1.50 0.30 1.56 4.01 -1.26 -0.52 117.16 120.23 1uoo n TYR 28 Ca -0.00 -1.32 0.17 0.00 -0.16 0.00 0.00 57.90 56.59 1uoo n TYR 28 Cb 0.16 -0.52 0.95 0.00 -0.31 0.00 0.00 39.34 39.62 1uoo n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uoo h ALA 29 N 1.57 1.30 0.00 -0.72 0.00 -1.72 -1.95 119.26 117.73 1uoo h ALA 29 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1uoo h ALA 29 Cb 1.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1uoo h ALA 29 CO 0.47 0.03 0.00 0.11 0.00 0.00 0.00 179.25 179.87 1uoo h TRP 30 N 0.00 0.00 0.00 0.00 5.08 -1.85 -2.38 115.95 116.79 1uoo h TRP 30 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1uoo h TRP 30 Cb 0.10 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.26 1uoo h TRP 30 CO 0.00 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 178.44 1uoo n LEU 31 N -2.65 0.00 0.10 0.11 4.77 -0.73 -3.01 117.00 115.59 1uoo n LEU 31 Ca 0.01 0.21 0.12 0.00 -0.03 0.00 0.00 56.01 56.32 1uoo n LEU 31 Cb 0.24 -0.21 0.45 0.00 -2.33 0.00 0.00 43.42 41.58 1uoo n LEU 31 CO 0.22 -0.07 0.87 -0.62 -1.33 0.00 0.00 177.39 176.47 1uoo n GLU 32 N -1.21 0.19 -3.22 3.23 1.02 -0.90 -4.47 120.64 115.29 1uoo n GLU 32 Ca 0.11 0.29 -0.45 0.00 -0.02 0.00 0.00 57.16 57.09 1uoo n GLU 32 Cb 0.14 -1.79 -0.05 0.00 -0.02 0.00 0.00 31.44 29.72 1uoo n GLU 32 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1uoo s ASP 33 N -4.17 6.19 0.48 1.62 2.15 -1.16 -4.94 116.67 116.83 1uoo s ASP 33 Ca 0.08 -1.44 0.27 0.00 0.43 0.00 0.00 52.55 51.89 1uoo s ASP 33 Cb 0.11 -2.25 1.13 0.00 -0.30 0.00 0.00 42.92 41.61 1uoo s ASP 33 CO 0.48 -0.93 1.91 1.55 -0.17 0.00 0.00 175.17 178.01 1uoo h PRO 34 N 9.00 0.00 0.00 4.34 0.13 -1.85 -3.15 132.00 140.47 1uoo h PRO 34 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1uoo h PRO 34 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1uoo h PRO 34 CO 1.03 0.16 -0.56 -0.25 -0.23 0.00 0.00 178.00 178.14 1uoo n ASP 35 N -3.36 0.55 -4.77 1.44 8.00 -1.26 -4.56 116.55 112.59 1uoo n ASP 35 Ca -0.00 -0.13 -0.34 0.00 0.71 0.00 0.00 54.79 55.03 1uoo n ASP 35 Cb 0.36 0.25 0.04 0.00 -0.02 0.00 0.00 41.12 41.75 1uoo n ASP 35 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1uoo s SER 36 N -3.39 5.18 0.30 -2.24 1.04 -1.19 -4.92 113.70 108.49 1uoo s SER 36 Ca 0.09 2.09 0.04 0.00 0.48 0.00 0.00 55.95 58.65 1uoo s SER 36 Cb 0.16 -2.56 0.49 0.00 0.10 0.00 0.00 66.02 64.21 1uoo s SER 36 CO 0.71 -1.58 1.77 -0.33 0.98 0.00 0.00 173.24 174.79 1uoo h GLU 37 N 0.32 0.44 -0.18 4.02 4.39 -1.92 -2.36 114.58 119.29 1uoo h GLU 37 Ca -0.48 -0.15 0.03 0.00 0.34 0.00 0.00 59.36 59.11 1uoo h GLU 37 Cb 1.26 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.84 1uoo h GLU 37 CO 0.54 0.63 -0.01 1.96 -1.16 0.00 0.00 179.01 180.97 1uoo h GLN 38 N 0.40 0.04 -0.25 2.33 7.50 -1.94 0.46 115.11 123.65 1uoo h GLN 38 Ca 0.07 -0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.18 1uoo h GLN 38 Cb 0.58 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.10 1uoo h GLN 38 CO 0.04 0.03 0.04 1.15 -1.50 0.00 0.00 178.83 178.59 1uoo h THR 39 N 0.05 1.23 -0.82 -0.54 2.02 -1.78 -0.85 112.91 112.22 1uoo h THR 39 Ca 0.08 -0.79 0.01 0.00 0.77 0.00 0.00 66.41 66.49 1uoo h THR 39 Cb 0.11 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1uoo h THR 39 CO -0.15 0.25 0.54 0.11 0.37 0.00 0.00 175.52 176.64 1uoo h LYS 40 N 0.22 1.06 -0.67 6.66 1.57 -1.33 -0.74 116.57 123.34 1uoo h LYS 40 Ca 0.08 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1uoo h LYS 40 Cb 0.34 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1uoo h LYS 40 CO 0.01 0.70 0.11 0.00 -0.57 0.00 0.00 179.45 179.70 1uoo h ALA 41 N 1.31 0.93 -0.19 3.86 0.00 -0.75 -1.41 119.26 123.01 1uoo h ALA 41 Ca 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1uoo h ALA 41 Cb -0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1uoo h ALA 41 CO -0.08 0.66 0.08 0.35 0.00 0.00 0.00 179.25 180.27 1uoo h PHE 42 N 1.03 0.29 -0.14 0.00 3.04 -0.71 -1.25 116.94 119.19 1uoo h PHE 42 Ca 0.20 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.16 1uoo h PHE 42 Cb 0.43 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 1uoo h PHE 42 CO 0.03 0.32 0.01 0.28 -2.02 0.00 0.00 178.31 176.93 1uoo h VAL 43 N 0.17 0.91 -0.42 1.41 2.07 -1.05 -1.86 116.25 117.48 1uoo h VAL 43 Ca 0.07 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1uoo h VAL 43 Cb 0.15 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1uoo h VAL 43 CO -0.01 0.01 0.10 -0.08 0.02 0.00 0.00 177.57 177.61 1uoo h GLU 44 N 0.06 0.23 -0.35 1.57 4.22 -1.14 -0.73 114.58 118.43 1uoo h GLU 44 Ca 0.07 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.44 1uoo h GLU 44 Cb 0.07 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1uoo h GLU 44 CO -0.11 0.15 0.00 0.00 -2.18 0.00 0.00 179.01 176.87 1uoo h ALA 45 N 1.31 1.36 -0.12 2.92 0.00 -1.00 -1.27 119.26 122.46 1uoo h ALA 45 Ca 0.20 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1uoo h ALA 45 Cb 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1uoo h ALA 45 CO -0.25 0.44 -0.25 1.96 0.00 0.00 0.00 179.25 181.15 1uoo h GLN 46 N 0.52 0.38 0.00 0.00 1.08 -0.87 -3.17 115.11 113.04 1uoo h GLN 46 Ca 0.11 -0.25 -0.03 0.00 -1.45 0.00 0.00 58.65 57.03 1uoo h GLN 46 Cb 0.33 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1uoo h GLN 46 CO 0.01 0.85 -0.13 -0.91 -0.95 0.00 0.00 178.83 177.70 1uoo h ASN 47 N -0.04 0.00 0.67 1.46 2.35 -0.99 -2.36 115.58 116.68 1uoo h ASN 47 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1uoo h ASN 47 Cb 0.84 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 1uoo h ASN 47 CO 0.06 0.13 -0.10 0.50 -1.65 0.00 0.00 177.43 176.37 1uoo h LYS 48 N 0.00 0.00 0.00 0.81 3.64 -1.21 -2.54 116.57 117.28 1uoo h LYS 48 Ca -0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1uoo h LYS 48 Cb 0.25 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1uoo h LYS 48 CO 0.02 0.10 -1.85 0.44 -2.27 0.00 0.00 179.45 175.88 1uoo n ILE 49 N -3.33 0.49 -0.01 2.00 -5.35 -1.04 -4.52 119.36 107.60 1uoo n ILE 49 Ca -0.01 -0.48 -0.11 0.00 -0.27 0.00 0.00 62.75 61.88 1uoo n ILE 49 Cb 0.29 -0.23 -0.09 0.00 -1.74 0.00 0.00 39.64 37.87 1uoo n ILE 49 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1uoo h THR 50 N 0.00 1.16 -0.02 7.28 2.02 -1.40 -3.10 112.91 118.86 1uoo h THR 50 Ca -0.19 -1.50 0.03 0.00 0.77 0.00 0.00 66.41 65.52 1uoo h THR 50 Cb 1.29 2.03 -0.04 0.00 -1.74 0.00 0.00 68.15 69.70 1uoo h THR 50 CO 0.01 0.33 -0.18 0.58 0.37 0.00 0.00 175.52 176.64 1uoo h VAL 51 N -0.85 0.57 -0.79 3.16 2.07 -1.73 -0.29 116.25 118.40 1uoo h VAL 51 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1uoo h VAL 51 Cb 0.62 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1uoo h VAL 51 CO 0.02 0.00 0.52 -0.65 0.02 0.00 0.00 177.57 177.47 1uoo h PRO 52 N -0.28 0.74 -0.33 1.57 0.11 -1.79 -1.03 132.00 130.99 1uoo h PRO 52 Ca 0.06 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 1uoo h PRO 52 Cb 0.36 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1uoo h PRO 52 CO -0.18 0.49 0.12 0.35 -0.21 0.00 0.00 178.00 178.57 1uoo h PHE 53 N 0.76 0.52 -0.11 0.65 3.57 -1.23 -2.19 116.94 118.91 1uoo h PHE 53 Ca 0.36 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.69 1uoo h PHE 53 Cb 0.39 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1uoo h PHE 53 CO -0.00 0.50 -0.46 -0.07 -2.23 0.00 0.00 178.31 176.05 1uoo h LEU 54 N 0.39 0.30 -0.93 0.59 3.38 -0.65 -3.28 115.31 115.11 1uoo h LEU 54 Ca 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1uoo h LEU 54 Cb 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1uoo h LEU 54 CO -0.01 0.72 -0.32 -0.62 0.09 0.00 0.00 178.44 178.31 1uoo n GLU 55 N -3.98 1.24 0.06 1.13 1.02 -0.43 -4.33 120.64 115.34 1uoo n GLU 55 Ca -0.02 -0.93 0.01 0.00 -0.02 0.00 0.00 57.16 56.20 1uoo n GLU 55 Cb 0.52 -1.48 0.34 0.00 -0.02 0.00 0.00 31.44 30.80 1uoo n GLU 55 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1uoo h GLN 56 N 2.27 0.39 -5.96 3.49 4.15 -1.45 -3.42 115.11 114.57 1uoo h GLN 56 Ca 0.00 -0.09 -0.58 0.00 0.77 0.00 0.00 58.65 58.75 1uoo h GLN 56 Cb 0.68 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.25 1uoo h GLN 56 CO 0.00 0.47 -0.11 0.00 -1.93 0.00 0.00 178.83 177.27 1uoo n PRO 58 N 2.71 0.10 -0.05 0.00 -0.04 -1.26 -2.86 135.00 133.60 1uoo n PRO 58 Ca -0.09 0.53 0.06 0.00 -0.04 0.00 0.00 63.50 63.96 1uoo n PRO 58 Cb 0.51 -1.78 0.43 0.00 -0.04 0.00 0.00 33.50 32.63 1uoo n PRO 58 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1uoo h ILE 59 N 0.00 1.04 -0.47 0.52 2.10 -1.95 -1.60 117.51 117.16 1uoo h ILE 59 Ca 0.00 -0.19 -0.05 0.00 1.08 0.00 0.00 64.86 65.71 1uoo h ILE 59 Cb 0.09 0.45 -0.02 0.00 -1.09 0.00 0.00 36.82 36.25 1uoo h ILE 59 CO 0.00 0.10 0.11 -0.09 -1.08 0.00 0.00 178.15 177.19 1uoo h ARG 60 N 0.55 0.75 -0.86 2.19 2.43 -1.82 0.26 114.38 117.88 1uoo h ARG 60 Ca 0.20 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1uoo h ARG 60 Cb 0.13 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 1uoo h ARG 60 CO -0.05 0.74 0.42 0.78 -1.51 0.00 0.00 179.97 180.35 1uoo h GLY 61 N 0.63 1.32 1.23 2.80 0.00 -1.60 0.12 103.07 107.56 1uoo h GLY 61 Ca 0.15 -0.64 -0.13 0.00 0.00 0.00 0.00 47.33 46.70 1uoo h GLY 61 CO 0.00 0.61 -0.26 1.41 0.00 0.00 0.00 176.54 178.31 1uoo h LEU 62 N 1.22 0.90 0.00 3.11 3.38 -1.08 -1.56 115.31 121.28 1uoo h LEU 62 Ca 0.30 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1uoo h LEU 62 Cb 0.10 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1uoo h LEU 62 CO -0.04 1.10 -0.00 0.22 0.09 0.00 0.00 178.44 179.81 1uoo h TYR 63 N 0.75 -0.00 -0.75 1.13 5.03 -0.70 -2.25 116.97 120.18 1uoo h TYR 63 Ca 0.09 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.47 1uoo h TYR 63 Cb 0.81 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 39.03 1uoo h TYR 63 CO 0.05 0.44 0.43 -0.22 -1.32 0.00 0.00 178.16 177.54 1uoo h LYS 64 N -0.45 0.74 -0.62 1.82 3.64 -0.79 0.62 116.57 121.53 1uoo h LYS 64 Ca -0.00 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 1uoo h LYS 64 Cb 0.45 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1uoo h LYS 64 CO 0.00 0.49 0.13 1.49 -2.27 0.00 0.00 179.45 179.29 1uoo h GLU 65 N 0.76 1.02 -0.12 1.90 4.81 -1.32 0.15 114.58 121.78 1uoo h GLU 65 Ca 0.34 -0.26 -0.21 0.00 -0.13 0.00 0.00 59.36 59.11 1uoo h GLU 65 Cb 0.24 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1uoo h GLU 65 CO -0.20 0.93 -0.76 -0.09 -0.73 0.00 0.00 179.01 178.16 1uoo h ARG 66 N 0.93 0.61 -0.26 1.92 9.65 -0.86 -1.58 114.38 124.79 1uoo h ARG 66 Ca 0.19 -0.50 -0.00 0.00 -1.10 0.00 0.00 59.98 58.57 1uoo h ARG 66 Cb 0.39 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 1uoo h ARG 66 CO 0.01 1.12 0.15 1.98 2.80 0.00 0.00 179.97 186.04 1uoo h MET 67 N 0.42 0.36 -0.70 0.20 4.05 0.40 0.39 114.93 120.06 1uoo h MET 67 Ca -0.04 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 1uoo h MET 67 Cb 1.36 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 32.06 1uoo h MET 67 CO 0.14 0.30 0.39 1.15 0.23 0.00 0.00 176.91 179.12 1uoo h THR 68 N 0.33 1.21 0.62 -0.77 2.02 -0.67 0.42 112.91 116.06 1uoo h THR 68 Ca 0.09 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 1uoo h THR 68 Cb 0.03 0.25 0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1uoo h THR 68 CO -0.02 0.22 -0.30 -0.33 0.37 0.00 0.00 175.52 175.47 1uoo h GLU 69 N 0.97 -0.81 0.00 6.66 5.08 -0.95 -3.13 114.58 122.40 1uoo h GLU 69 Ca 0.25 0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1uoo h GLU 69 Cb 0.01 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1uoo h GLU 69 CO -0.04 -0.49 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.10 1uoo h LEU 70 N -1.06 0.00 -0.02 1.33 3.38 -0.84 -2.96 115.31 115.13 1uoo h LEU 70 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1uoo h LEU 70 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1uoo h LEU 70 CO 0.14 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.92 1uoo n TYR 71 N -3.14 0.49 -1.91 1.13 9.36 0.13 -4.42 117.16 118.80 1uoo n TYR 71 Ca 0.03 0.15 -0.42 0.00 3.32 0.00 0.00 57.90 60.97 1uoo n TYR 71 Cb 0.64 -0.74 -0.00 0.00 -0.63 0.00 0.00 39.34 38.60 1uoo n TYR 71 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1uoo n ASP 72 N -1.91 4.03 -4.04 2.98 2.03 -1.12 -4.65 116.55 113.88 1uoo n ASP 72 Ca 0.06 -2.85 -0.11 0.00 0.52 0.00 0.00 54.79 52.41 1uoo n ASP 72 Cb 0.38 -1.65 -0.11 0.00 -0.72 0.00 0.00 41.12 39.02 1uoo n ASP 72 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1uoo s TYR 73 N 3.74 0.53 0.32 -0.67 -0.85 -1.26 -4.92 117.35 114.23 1uoo s TYR 73 Ca 0.50 -0.58 -0.29 0.00 -0.52 0.00 0.00 57.07 56.18 1uoo s TYR 73 Cb 0.11 -0.33 -0.11 0.00 0.38 0.00 0.00 41.96 42.01 1uoo s TYR 73 CO -0.03 -0.14 1.57 -2.14 -1.52 0.00 0.00 175.55 173.29 1uoo s PRO 74 N -1.84 4.11 -0.13 -3.49 0.02 -1.21 -3.88 135.00 128.58 1uoo s PRO 74 Ca -0.10 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.52 1uoo s PRO 74 Cb -0.08 -3.01 0.02 0.00 0.02 0.00 0.00 34.50 31.46 1uoo s PRO 74 CO -0.01 -0.62 -0.12 0.15 -0.33 0.00 0.00 177.00 176.07 1uoo s LYS 75 N -0.92 2.05 0.01 5.54 1.02 -0.31 -4.91 119.74 122.22 1uoo s LYS 75 Ca 0.61 -0.47 0.09 0.00 0.02 0.00 0.00 55.97 56.21 1uoo s LYS 75 Cb -0.48 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 34.91 1uoo s LYS 75 CO 0.52 -0.20 -0.26 0.71 -0.92 0.00 0.00 175.35 175.20 1uoo s TYR 76 N 1.42 2.33 0.67 3.18 1.51 -1.26 -1.11 117.35 124.09 1uoo s TYR 76 Ca 0.02 -0.43 -0.07 0.00 -1.01 0.00 0.00 57.07 55.59 1uoo s TYR 76 Cb -0.13 -1.46 0.04 0.00 -0.11 0.00 0.00 41.96 40.30 1uoo s TYR 76 CO -0.08 0.03 0.99 -1.54 -1.11 0.00 0.00 175.55 173.84 1uoo s SER 77 N -0.87 5.10 0.61 2.29 1.04 -0.63 -5.01 113.70 116.23 1uoo s SER 77 Ca 0.11 0.59 -0.19 0.00 0.48 0.00 0.00 55.95 56.94 1uoo s SER 77 Cb -0.10 -1.36 -0.03 0.00 0.10 0.00 0.00 66.02 64.63 1uoo s SER 77 CO 0.00 -1.41 1.17 0.00 0.98 0.00 0.00 173.24 173.98 1uoo s HIS 79 N -1.42 3.10 0.01 0.00 3.76 -1.26 -4.54 115.29 114.94 1uoo s HIS 79 Ca 0.78 1.53 -0.02 0.00 -0.15 0.00 0.00 55.06 57.20 1uoo s HIS 79 Cb -0.40 -3.46 -0.01 0.00 1.11 0.00 0.00 32.58 29.82 1uoo s HIS 79 CO 0.44 -1.39 0.03 -0.59 -0.85 0.00 0.00 174.74 172.38 1uoo s PHE 80 N -1.32 0.12 -0.15 1.40 -0.71 0.23 -4.67 117.98 112.88 1uoo s PHE 80 Ca 0.54 -0.26 -0.07 0.00 -1.04 0.00 0.00 56.93 56.10 1uoo s PHE 80 Cb -0.33 -0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.34 1uoo s PHE 80 CO 0.42 -0.17 0.09 0.21 -1.34 0.00 0.00 175.22 174.44 1uoo s LYS 81 N -1.03 3.73 -0.06 1.99 2.20 -1.26 -0.16 119.74 125.14 1uoo s LYS 81 Ca -0.11 -0.26 -0.00 0.00 -0.36 0.00 0.00 55.97 55.23 1uoo s LYS 81 Cb -0.07 -3.19 0.03 0.00 -1.51 0.00 0.00 37.83 33.09 1uoo s LYS 81 CO -0.00 0.49 -0.02 0.15 -0.36 0.00 0.00 175.35 175.61 1uoo s LYS 82 N -0.22 0.68 7.65 4.03 -0.14 -0.71 -5.00 119.74 126.03 1uoo s LYS 82 Ca 0.09 0.02 0.00 0.00 -1.36 0.00 0.00 55.97 54.72 1uoo s LYS 82 Cb -0.12 -0.89 0.00 0.00 -1.68 0.00 0.00 37.83 35.14 1uoo s LYS 82 CO 0.01 -0.21 0.00 0.41 -0.76 0.00 0.00 175.35 174.80 1uoo n GLY 83 N 4.65 3.04 1.26 -3.33 0.00 -1.25 -2.45 105.19 107.11 1uoo n GLY 83 Ca -0.15 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.77 1uoo n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uoo n LYS 84 N 13.65 2.59 -4.30 1.61 5.02 -1.26 -4.97 118.16 130.49 1uoo n LYS 84 Ca 0.00 -2.46 -0.23 0.00 -2.02 0.00 0.00 58.31 53.59 1uoo n LYS 84 Cb 0.00 -1.53 -0.12 0.00 -0.02 0.00 0.00 35.03 33.36 1uoo n LYS 84 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1uoo s ARG 85 N -1.09 1.18 -0.04 1.97 0.52 -1.03 -4.64 118.95 115.83 1uoo s ARG 85 Ca 0.46 -1.25 -0.03 0.00 -0.52 0.00 0.00 55.73 54.38 1uoo s ARG 85 Cb 0.24 -1.38 -0.04 0.00 0.52 0.00 0.00 34.95 34.29 1uoo s ARG 85 CO 0.31 0.31 0.14 0.71 0.02 0.00 0.00 175.30 176.79 1uoo s TYR 86 N -1.47 3.48 0.11 -0.53 2.02 0.37 -1.73 117.35 119.61 1uoo s TYR 86 Ca 0.10 0.36 0.06 0.00 -0.37 0.00 0.00 57.07 57.22 1uoo s TYR 86 Cb -0.09 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 1uoo s TYR 86 CO 0.05 0.64 -0.15 -0.06 -1.57 0.00 0.00 175.55 174.46 1uoo s PHE 87 N -1.19 1.41 -0.07 2.71 0.40 0.77 -1.09 117.98 120.92 1uoo s PHE 87 Ca 0.22 -0.52 -0.30 0.00 -0.60 0.00 0.00 56.93 55.73 1uoo s PHE 87 Cb -0.12 -0.75 0.10 0.00 0.51 0.00 0.00 43.02 42.75 1uoo s PHE 87 CO 0.13 0.14 0.82 1.52 0.70 0.00 0.00 175.22 178.52 1uoo s TYR 88 N -1.89 -0.51 0.09 0.36 -0.85 -0.96 -0.60 117.35 112.99 1uoo s TYR 88 Ca 0.07 0.79 -0.10 0.00 -0.52 0.00 0.00 57.07 57.31 1uoo s TYR 88 Cb -0.06 0.45 -0.06 0.00 0.38 0.00 0.00 41.96 42.67 1uoo s TYR 88 CO 0.03 -0.52 0.41 -0.06 -1.52 0.00 0.00 175.55 173.89 1uoo s PHE 89 N -1.53 3.58 -0.15 -3.49 0.08 -1.26 0.09 117.98 115.29 1uoo s PHE 89 Ca -0.05 0.79 -0.12 0.00 0.12 0.00 0.00 56.93 57.68 1uoo s PHE 89 Cb -0.00 -2.16 0.04 0.00 -0.57 0.00 0.00 43.02 40.33 1uoo s PHE 89 CO 0.03 0.51 0.38 -0.47 -0.10 0.00 0.00 175.22 175.57 1uoo s TYR 90 N -1.42 -0.47 -0.10 0.36 5.04 -0.00 -1.61 117.35 119.15 1uoo s TYR 90 Ca 0.34 1.10 0.02 0.00 -2.44 0.00 0.00 57.07 56.09 1uoo s TYR 90 Cb -0.14 0.18 0.01 0.00 0.35 0.00 0.00 41.96 42.36 1uoo s TYR 90 CO 0.18 -0.25 -0.15 1.21 -1.34 0.00 0.00 175.55 175.20 1uoo s ASN 91 N 0.65 2.38 0.47 4.32 3.84 -0.27 -0.97 114.94 125.36 1uoo s ASN 91 Ca -0.04 -0.42 0.14 0.00 0.21 0.00 0.00 52.86 52.76 1uoo s ASN 91 Cb -0.05 -1.07 1.11 0.00 -0.55 0.00 0.00 41.25 40.69 1uoo s ASN 91 CO -0.04 0.02 2.06 0.71 -2.79 0.00 0.00 177.10 177.06 1uoo h THR 92 N 5.95 0.96 0.00 -5.21 1.35 -1.87 -0.80 112.91 113.29 1uoo h THR 92 Ca -0.30 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1uoo h THR 92 Cb 1.18 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1uoo h THR 92 CO 0.49 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1uoo n GLY 93 N -1.53 0.58 0.46 5.82 0.00 -1.25 -3.35 105.19 105.93 1uoo n GLY 93 Ca 0.04 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1uoo n GLY 93 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uoo n LEU 94 N 0.00 2.35 -4.77 0.99 4.77 -1.26 -4.47 117.00 114.61 1uoo n LEU 94 Ca 0.00 -1.58 -0.41 0.00 -0.03 0.00 0.00 56.01 53.99 1uoo n LEU 94 Cb 0.00 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1uoo n LEU 94 CO 0.00 0.55 1.15 0.00 -1.33 0.00 0.00 177.39 177.76 1uoo n GLN 95 N 0.42 2.67 -0.36 3.23 6.02 -1.26 -4.76 117.38 123.34 1uoo n GLN 95 Ca 0.08 0.94 0.01 0.00 -0.01 0.00 0.00 57.00 58.02 1uoo n GLN 95 Cb 0.33 -2.68 0.16 0.00 1.02 0.00 0.00 30.24 29.07 1uoo n GLN 95 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1uoo h ASN 96 N 3.29 1.02 -4.28 1.08 2.35 -1.95 -3.40 115.58 113.69 1uoo h ASN 96 Ca -0.50 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 54.80 1uoo h ASN 96 Cb 1.24 -0.21 -0.26 0.00 0.05 0.00 0.00 38.32 39.14 1uoo h ASN 96 CO 0.67 0.66 -0.80 -1.10 -1.65 0.00 0.00 177.43 175.21 1uoo s GLN 97 N -6.06 0.98 0.53 0.81 -1.52 -1.26 -1.98 119.66 111.16 1uoo s GLN 97 Ca -0.13 -0.67 -0.20 0.00 -1.95 0.00 0.00 55.36 52.41 1uoo s GLN 97 Cb 0.19 -0.98 -0.06 0.00 -0.22 0.00 0.00 33.01 31.94 1uoo s GLN 97 CO 0.81 0.25 1.15 -0.98 -0.25 0.00 0.00 175.29 176.27 1uoo s ARG 98 N -0.89 3.42 -0.11 2.91 1.70 -1.26 -4.79 118.95 119.93 1uoo s ARG 98 Ca 0.03 1.68 -0.03 0.00 -0.47 0.00 0.00 55.73 56.94 1uoo s ARG 98 Cb -0.07 -2.10 -0.03 0.00 -0.57 0.00 0.00 34.95 32.18 1uoo s ARG 98 CO 0.01 -0.81 -0.01 0.08 -1.08 0.00 0.00 175.30 173.49 1uoo s VAL 99 N -1.69 4.21 -0.19 4.99 1.01 -0.15 -4.61 120.40 123.98 1uoo s VAL 99 Ca 0.71 -0.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.15 1uoo s VAL 99 Cb -0.26 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1uoo s VAL 99 CO 0.30 0.56 0.91 -0.22 0.00 0.00 0.00 175.10 176.65 1uoo s LEU 100 N -0.45 4.15 0.14 3.92 2.96 -0.58 -0.82 118.68 128.00 1uoo s LEU 100 Ca 0.08 1.26 0.05 0.00 -0.22 0.00 0.00 54.13 55.31 1uoo s LEU 100 Cb -0.12 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 1uoo s LEU 100 CO 0.02 -0.49 0.05 -0.31 -1.32 0.00 0.00 176.35 174.30 1uoo s TYR 101 N 2.50 3.02 0.01 5.38 1.51 0.11 -0.85 117.35 129.04 1uoo s TYR 101 Ca 0.41 -0.05 0.06 0.00 -1.01 0.00 0.00 57.07 56.48 1uoo s TYR 101 Cb -0.16 -1.49 -0.02 0.00 -0.11 0.00 0.00 41.96 40.18 1uoo s TYR 101 CO 0.11 0.51 -0.19 0.54 -1.11 0.00 0.00 175.55 175.41 1uoo s VAL 102 N -1.59 1.51 -0.01 0.71 0.11 -0.36 -2.26 120.40 118.51 1uoo s VAL 102 Ca 0.28 -0.94 -0.01 0.00 -2.93 0.00 0.00 61.98 58.38 1uoo s VAL 102 Cb -0.10 -1.28 0.00 0.00 -1.53 0.00 0.00 36.38 33.47 1uoo s VAL 102 CO 0.20 0.32 0.03 0.00 -3.33 0.00 0.00 175.10 172.33 1uoo s GLN 103 N -0.73 0.10 0.44 1.54 -2.07 -0.25 -1.40 119.66 117.29 1uoo s GLN 103 Ca 0.07 -0.05 0.29 0.00 -1.82 0.00 0.00 55.36 53.85 1uoo s GLN 103 Cb -0.08 0.04 1.09 0.00 -1.09 0.00 0.00 33.01 32.98 1uoo s GLN 103 CO 0.00 -0.02 1.85 -0.44 -1.32 0.00 0.00 175.29 175.37 1uoo h ASP 104 N 5.83 0.00 -5.16 12.60 3.32 -1.86 0.11 116.42 131.26 1uoo h ASP 104 Ca -0.26 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 1uoo h ASP 104 Cb 1.21 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.66 1uoo h ASP 104 CO 0.47 0.00 -0.08 -0.94 -1.72 0.00 0.00 179.24 176.98 1uoo s SER 105 N -5.31 -0.15 0.56 6.45 1.04 -1.26 -4.58 113.70 110.45 1uoo s SER 105 Ca 0.03 -0.69 0.33 0.00 0.48 0.00 0.00 55.95 56.11 1uoo s SER 105 Cb 0.09 0.56 1.63 0.00 0.10 0.00 0.00 66.02 68.39 1uoo s SER 105 CO 0.53 -1.06 2.10 0.25 0.98 0.00 0.00 173.24 176.04 1uoo h LEU 106 N 2.28 0.00 -0.82 2.42 5.85 -1.97 -2.65 115.31 120.42 1uoo h LEU 106 Ca -0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1uoo h LEU 106 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1uoo h LEU 106 CO 0.38 0.06 -0.21 -0.62 -0.34 0.00 0.00 178.44 177.71 1uoo n GLU 107 N -3.31 1.92 -1.77 1.25 1.02 -1.26 -5.05 120.64 113.45 1uoo n GLU 107 Ca -0.01 -0.67 -0.29 0.00 -0.02 0.00 0.00 57.16 56.16 1uoo n GLU 107 Cb 0.23 -1.12 0.10 0.00 -0.02 0.00 0.00 31.44 30.63 1uoo n GLU 107 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1uoo s GLY 108 N -1.41 1.59 0.19 0.62 0.00 -1.00 -5.02 107.32 102.29 1uoo s GLY 108 Ca 0.09 -0.57 -0.30 0.00 0.00 0.00 0.00 44.72 43.95 1uoo s GLY 108 CO 0.27 -0.07 1.22 1.85 0.00 0.00 0.00 173.10 176.37 1uoo s GLU 109 N -5.45 4.47 0.03 2.90 2.12 -1.26 -4.85 118.70 116.67 1uoo s GLU 109 Ca 0.62 1.91 -0.15 0.00 0.36 0.00 0.00 54.97 57.72 1uoo s GLU 109 Cb -0.12 -3.23 -0.06 0.00 0.26 0.00 0.00 34.13 30.98 1uoo s GLU 109 CO 0.51 -0.12 0.44 0.00 -0.54 0.00 0.00 175.26 175.55 1uoo s ALA 110 N -0.03 3.68 0.12 6.30 0.00 -1.26 -4.50 121.76 126.06 1uoo s ALA 110 Ca 0.53 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.36 1uoo s ALA 110 Cb -0.33 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 1uoo s ALA 110 CO 0.37 0.48 -0.12 -0.98 0.00 0.00 0.00 175.76 175.51 1uoo s ARG 111 N -1.25 0.98 0.15 0.00 1.70 -0.49 -4.98 118.95 115.07 1uoo s ARG 111 Ca 0.27 -1.25 -0.31 0.00 -0.47 0.00 0.00 55.73 53.96 1uoo s ARG 111 Cb -0.17 -0.76 -0.10 0.00 -0.57 0.00 0.00 34.95 33.36 1uoo s ARG 111 CO 0.15 0.13 1.65 0.08 -1.08 0.00 0.00 175.30 176.23 1uoo s VAL 112 N -2.41 2.54 -0.20 4.99 1.01 -1.26 -1.22 120.40 123.85 1uoo s VAL 112 Ca 0.09 0.31 -0.09 0.00 0.00 0.00 0.00 61.98 62.29 1uoo s VAL 112 Cb -0.03 -3.20 -0.09 0.00 0.00 0.00 0.00 36.38 33.06 1uoo s VAL 112 CO 0.02 0.02 -0.25 0.33 0.00 0.00 0.00 175.10 175.22 1uoo n PHE 113 N 4.44 0.00 -3.62 5.22 7.35 -0.03 -4.83 117.46 126.00 1uoo n PHE 113 Ca 0.15 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.61 1uoo n PHE 113 Cb 0.38 -0.72 -0.17 0.00 0.35 0.00 0.00 39.48 39.32 1uoo n PHE 113 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1uoo s LEU 114 N -6.97 0.23 -0.44 -2.13 2.96 -0.83 -4.98 118.68 106.52 1uoo s LEU 114 Ca -0.28 -0.32 -0.09 0.00 -0.22 0.00 0.00 54.13 53.22 1uoo s LEU 114 Cb 0.10 -0.14 0.10 0.00 0.50 0.00 0.00 46.19 46.75 1uoo s LEU 114 CO 0.36 -0.31 0.30 -0.62 -1.32 0.00 0.00 176.35 174.76 1uoo s ASP 115 N 2.17 5.67 0.50 3.68 2.15 -1.26 -1.53 116.67 128.05 1uoo s ASP 115 Ca 0.03 -1.70 0.32 0.00 0.43 0.00 0.00 52.55 51.63 1uoo s ASP 115 Cb -0.15 -2.00 1.32 0.00 -0.30 0.00 0.00 42.92 41.79 1uoo s ASP 115 CO -0.07 -0.61 1.94 -0.65 -0.17 0.00 0.00 175.17 175.61 1uoo h PRO 116 N 8.43 0.00 -0.05 4.34 0.11 -1.91 -3.19 132.00 139.73 1uoo h PRO 116 Ca -0.22 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.85 1uoo h PRO 116 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1uoo h PRO 116 CO 0.81 0.00 -0.13 -0.91 -0.21 0.00 0.00 178.00 177.55 1uoo h ASN 117 N 0.00 0.07 0.37 -2.05 2.35 -1.86 -2.35 115.58 112.11 1uoo h ASN 117 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1uoo h ASN 117 Cb 0.48 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1uoo h ASN 117 CO 0.00 0.22 0.00 2.30 -1.65 0.00 0.00 177.43 178.30 1uoo n ILE 118 N -4.34 0.03 1.20 2.81 -5.35 -1.20 -3.35 119.36 109.15 1uoo n ILE 118 Ca -0.02 0.01 0.13 0.00 -0.27 0.00 0.00 62.75 62.59 1uoo n ILE 118 Cb 0.23 -0.52 0.28 0.00 -1.74 0.00 0.00 39.64 37.88 1uoo n ILE 118 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1uoo n LEU 119 N -1.19 1.46 -3.65 7.28 4.77 -0.88 -4.92 117.00 119.86 1uoo n LEU 119 Ca 0.17 -0.47 -0.15 0.00 -0.03 0.00 0.00 56.01 55.53 1uoo n LEU 119 Cb 0.19 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 1uoo n LEU 119 CO 0.21 0.27 0.25 -0.55 -1.33 0.00 0.00 177.39 176.23 1uoo s SER 120 N -2.40 -0.51 0.37 -1.43 0.15 -1.21 -4.84 113.70 103.83 1uoo s SER 120 Ca 0.25 0.75 0.26 0.00 0.70 0.00 0.00 55.95 57.91 1uoo s SER 120 Cb 0.19 0.75 0.82 0.00 -1.71 0.00 0.00 66.02 66.07 1uoo s SER 120 CO 0.50 -0.38 1.76 0.44 1.20 0.00 0.00 173.24 176.75 1uoo h ASP 121 N 4.22 0.00 0.00 5.45 5.19 -1.91 -3.28 116.42 126.08 1uoo h ASP 121 Ca -0.28 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.12 1uoo h ASP 121 Cb 1.16 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.65 1uoo h ASP 121 CO 0.29 0.00 -0.30 -0.90 -3.12 0.00 0.00 179.24 175.20 1uoo n ASP 122 N -2.73 1.16 -2.19 6.45 5.75 -1.26 -5.01 116.55 118.72 1uoo n ASP 122 Ca 0.03 -2.56 -0.21 0.00 -0.01 0.00 0.00 54.79 52.04 1uoo n ASP 122 Cb 0.40 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.14 1uoo n ASP 122 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uoo n GLY 123 N -0.66 0.17 1.11 6.12 0.00 -1.24 -4.85 105.19 105.84 1uoo n GLY 123 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1uoo n GLY 123 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uoo n THR 124 N -3.57 0.58 -3.60 2.61 -2.24 -1.26 -4.10 114.28 102.70 1uoo n THR 124 Ca -0.24 -0.74 -0.38 0.00 -2.27 0.00 0.00 64.05 60.43 1uoo n THR 124 Cb 0.69 0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 69.56 1uoo n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1uoo s VAL 125 N -1.42 5.32 0.09 2.28 1.01 -1.26 0.33 120.40 126.74 1uoo s VAL 125 Ca 0.40 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.62 1uoo s VAL 125 Cb 0.22 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1uoo s VAL 125 CO 0.31 0.27 -0.18 0.00 0.00 0.00 0.00 175.10 175.49 1uoo s ALA 126 N 1.63 1.55 0.14 5.51 0.00 -0.04 -4.77 121.76 125.78 1uoo s ALA 126 Ca 0.07 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 50.58 1uoo s ALA 126 Cb -0.16 -0.19 -0.08 0.00 0.00 0.00 0.00 23.12 22.70 1uoo s ALA 126 CO 0.10 0.28 1.28 -1.17 0.00 0.00 0.00 175.76 176.25 1uoo s LEU 127 N -1.84 4.40 -0.34 0.00 2.96 -1.26 -0.35 118.68 122.26 1uoo s LEU 127 Ca 0.03 2.25 -0.01 0.00 -0.22 0.00 0.00 54.13 56.18 1uoo s LEU 127 Cb -0.10 -3.60 0.12 0.00 0.50 0.00 0.00 46.19 43.12 1uoo s LEU 127 CO 0.03 -0.51 0.17 -0.60 -1.32 0.00 0.00 176.35 174.13 1uoo s ARG 128 N 0.42 0.53 0.00 1.98 3.52 0.91 -4.87 118.95 121.44 1uoo s ARG 128 Ca 0.58 -1.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.07 1uoo s ARG 128 Cb -0.34 -1.45 0.00 0.00 -1.56 0.00 0.00 34.95 31.60 1uoo s ARG 128 CO 0.34 -1.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.12 1uoo n GLY 129 N 4.49 -2.14 3.47 8.12 0.00 -1.26 -3.69 105.19 114.17 1uoo n GLY 129 Ca 0.04 -1.32 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 1uoo n GLY 129 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1uoo s TYR 130 N -3.22 -0.54 -0.14 1.61 -0.85 -1.26 -0.38 117.35 112.57 1uoo s TYR 130 Ca 0.00 0.59 -0.07 0.00 -0.52 0.00 0.00 57.07 57.07 1uoo s TYR 130 Cb 0.00 0.50 0.06 0.00 0.38 0.00 0.00 41.96 42.90 1uoo s TYR 130 CO 0.00 -0.69 0.33 0.00 -1.52 0.00 0.00 175.55 173.66 1uoo s ALA 131 N -2.65 -0.80 0.37 9.51 0.00 0.54 -4.96 121.76 123.76 1uoo s ALA 131 Ca -0.02 1.23 -0.14 0.00 0.00 0.00 0.00 51.96 53.02 1uoo s ALA 131 Cb -0.01 -0.91 -0.08 0.00 0.00 0.00 0.00 23.12 22.12 1uoo s ALA 131 CO -0.04 -0.40 0.78 -0.06 0.00 0.00 0.00 175.76 176.04 1uoo s PHE 132 N 1.75 3.40 0.86 0.00 0.40 -1.26 -0.58 117.98 122.55 1uoo s PHE 132 Ca -0.06 1.21 -0.11 0.00 -0.60 0.00 0.00 56.93 57.38 1uoo s PHE 132 Cb -0.10 -2.55 0.11 0.00 0.51 0.00 0.00 43.02 40.98 1uoo s PHE 132 CO -0.11 -0.02 1.11 -1.54 0.70 0.00 0.00 175.22 175.37 1uoo s SER 133 N -2.59 3.63 0.20 1.36 1.04 -0.17 -4.69 113.70 112.48 1uoo s SER 133 Ca 0.54 1.92 -0.11 0.00 0.48 0.00 0.00 55.95 58.78 1uoo s SER 133 Cb -0.10 -2.49 0.23 0.00 0.10 0.00 0.00 66.02 63.75 1uoo s SER 133 CO 0.22 -2.61 1.75 -0.08 0.98 0.00 0.00 173.24 173.50 1uoo h GLU 134 N -1.53 0.39 -0.05 4.02 4.57 -1.88 -0.72 114.58 119.38 1uoo h GLU 134 Ca -0.45 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1uoo h GLU 134 Cb 1.26 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1uoo h GLU 134 CO 0.48 0.26 0.00 -0.40 -1.18 0.00 0.00 179.01 178.17 1uoo n ASP 135 N -4.99 0.53 -0.43 1.04 5.75 -1.26 -4.51 116.55 112.68 1uoo n ASP 135 Ca 0.07 -1.50 -0.06 0.00 -0.01 0.00 0.00 54.79 53.30 1uoo n ASP 135 Cb 0.23 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 1uoo n ASP 135 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uoo n GLY 136 N 0.90 0.73 0.06 6.12 0.00 -0.28 -3.85 105.19 108.88 1uoo n GLY 136 Ca 0.15 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1uoo n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uoo n GLU 137 N -1.70 0.38 -4.22 1.61 -0.58 -1.26 -4.66 120.64 110.22 1uoo n GLU 137 Ca -0.06 0.05 -0.19 0.00 -0.42 0.00 0.00 57.16 56.54 1uoo n GLU 137 Cb 0.33 -1.68 -0.12 0.00 -0.57 0.00 0.00 31.44 29.40 1uoo n GLU 137 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1uoo s TYR 138 N -3.24 1.39 -0.04 -0.32 1.51 -1.26 -1.00 117.35 114.39 1uoo s TYR 138 Ca 0.03 -0.48 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1uoo s TYR 138 Cb 0.13 -0.76 0.02 0.00 -0.11 0.00 0.00 41.96 41.24 1uoo s TYR 138 CO 0.77 0.12 -0.05 0.12 -1.11 0.00 0.00 175.55 175.40 1uoo s PHE 139 N -1.50 0.79 -0.03 2.71 5.36 0.54 -1.00 117.98 124.85 1uoo s PHE 139 Ca 0.03 -0.22 0.06 0.00 -0.96 0.00 0.00 56.93 55.84 1uoo s PHE 139 Cb -0.09 -0.67 -0.02 0.00 -0.34 0.00 0.00 43.02 41.90 1uoo s PHE 139 CO 0.03 -0.18 -0.20 0.00 -1.46 0.00 0.00 175.22 173.40 1uoo s ALA 140 N 0.83 2.42 -0.07 11.12 0.00 0.25 -0.26 121.76 136.05 1uoo s ALA 140 Ca -0.12 -1.06 -0.08 0.00 0.00 0.00 0.00 51.96 50.71 1uoo s ALA 140 Cb -0.14 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.24 1uoo s ALA 140 CO 0.01 0.54 0.22 1.52 0.00 0.00 0.00 175.76 178.05 1uoo s TYR 141 N -0.69 -0.22 0.05 0.00 1.13 -0.65 -0.34 117.35 116.64 1uoo s TYR 141 Ca 0.11 0.52 -0.16 0.00 -1.41 0.00 0.00 57.07 56.13 1uoo s TYR 141 Cb -0.10 0.07 -0.06 0.00 -1.10 0.00 0.00 41.96 40.77 1uoo s TYR 141 CO 0.00 -0.14 0.48 0.20 -2.51 0.00 0.00 175.55 173.59 1uoo s GLY 142 N -0.05 2.55 -0.06 5.49 0.00 0.49 -1.15 107.32 114.59 1uoo s GLY 142 Ca -0.02 -0.12 0.06 0.00 0.00 0.00 0.00 44.72 44.64 1uoo s GLY 142 CO 0.01 0.25 -0.23 1.08 0.00 0.00 0.00 173.10 174.21 1uoo s LEU 143 N -1.23 2.03 -0.04 0.66 1.43 0.23 -0.07 118.68 121.70 1uoo s LEU 143 Ca 0.28 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.97 1uoo s LEU 143 Cb -0.17 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 1uoo s LEU 143 CO 0.16 0.22 -0.24 -0.44 0.23 0.00 0.00 176.35 176.29 1uoo s SER 144 N -0.09 3.21 -0.14 2.29 0.01 0.53 -1.22 113.70 118.29 1uoo s SER 144 Ca -0.04 -0.44 -0.06 0.00 1.31 0.00 0.00 55.95 56.71 1uoo s SER 144 Cb -0.13 -0.61 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 1uoo s SER 144 CO 0.04 0.29 0.07 0.00 0.41 0.00 0.00 173.24 174.05 1uoo s ALA 145 N -0.46 3.52 -1.36 1.44 0.00 -1.26 -0.86 121.76 122.79 1uoo s ALA 145 Ca 0.05 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 1uoo s ALA 145 Cb -0.11 -1.83 0.01 0.00 0.00 0.00 0.00 23.12 21.19 1uoo s ALA 145 CO 0.01 0.41 0.16 0.43 0.00 0.00 0.00 175.76 176.77 1uoo n SER 146 N 2.72 -4.75 0.00 0.00 7.64 0.15 -2.25 113.62 117.13 1uoo n SER 146 Ca -0.18 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1uoo n SER 146 Cb 0.53 -3.96 0.00 0.00 -1.01 0.00 0.00 64.21 59.77 1uoo n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uoo n GLY 147 N -1.02 0.94 3.75 0.23 0.00 -1.26 -2.90 105.19 104.94 1uoo n GLY 147 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1uoo n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uoo s SER 148 N -2.91 4.97 0.46 1.61 0.15 -0.95 -3.97 113.70 113.04 1uoo s SER 148 Ca 0.00 2.31 0.25 0.00 0.70 0.00 0.00 55.95 59.20 1uoo s SER 148 Cb 0.00 -2.59 1.03 0.00 -1.71 0.00 0.00 66.02 62.75 1uoo s SER 148 CO 0.00 -1.74 1.88 0.44 1.20 0.00 0.00 173.24 175.02 1uoo h ASP 149 N 0.48 0.00 -3.71 5.45 3.32 -1.91 -3.42 116.42 116.64 1uoo h ASP 149 Ca -0.49 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.01 1uoo h ASP 149 Cb 1.29 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.95 1uoo h ASP 149 CO 0.54 0.21 0.71 0.79 -1.72 0.00 0.00 179.24 179.76 1uoo n TRP 150 N -3.44 2.79 -4.50 4.55 7.02 -1.26 -4.58 117.44 118.01 1uoo n TRP 150 Ca -0.00 0.46 -0.21 0.00 -1.02 0.00 0.00 57.50 56.73 1uoo n TRP 150 Cb 0.39 -2.50 -0.14 0.00 -2.42 0.00 0.00 31.31 26.64 1uoo n TRP 150 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1uoo s VAL 151 N -1.04 1.16 -0.22 -0.99 1.01 0.13 -4.42 120.40 116.04 1uoo s VAL 151 Ca 0.55 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 1uoo s VAL 151 Cb -0.50 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1uoo s VAL 151 CO 0.62 0.15 -0.04 -0.89 0.00 0.00 0.00 175.10 174.94 1uoo s THR 152 N -0.63 3.38 -0.11 3.92 2.01 -0.36 -2.97 115.64 120.89 1uoo s THR 152 Ca 0.04 -0.49 -0.21 0.00 0.31 0.00 0.00 61.69 61.34 1uoo s THR 152 Cb -0.07 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 1uoo s THR 152 CO 0.01 0.42 0.58 -0.63 -0.69 0.00 0.00 174.62 174.31 1uoo s ILE 153 N 1.46 5.11 0.35 1.82 1.01 -0.67 -0.60 121.20 129.69 1uoo s ILE 153 Ca 0.06 1.17 0.08 0.00 0.00 0.00 0.00 60.65 61.95 1uoo s ILE 153 Cb -0.14 -3.92 -0.07 0.00 0.01 0.00 0.00 42.46 38.34 1uoo s ILE 153 CO -0.03 0.27 -0.04 -0.54 0.00 0.00 0.00 174.94 174.59 1uoo s LYS 154 N 0.88 1.79 0.06 2.79 1.02 -0.30 -0.76 119.74 125.23 1uoo s LYS 154 Ca 0.31 -1.95 0.05 0.00 0.02 0.00 0.00 55.97 54.40 1uoo s LYS 154 Cb -0.16 -1.49 -0.03 0.00 -0.52 0.00 0.00 37.83 35.63 1uoo s LYS 154 CO 0.13 0.03 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.39 1uoo s PHE 155 N -2.79 1.28 0.00 3.18 0.40 -1.23 -1.63 117.98 117.19 1uoo s PHE 155 Ca 0.33 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 1uoo s PHE 155 Cb 0.05 -0.73 -0.00 0.00 0.51 0.00 0.00 43.02 42.85 1uoo s PHE 155 CO 0.16 0.07 -0.02 -1.64 0.70 0.00 0.00 175.22 174.48 1uoo s MET 156 N -1.58 0.16 -0.16 0.44 -1.94 0.65 -1.87 119.30 115.00 1uoo s MET 156 Ca -0.00 -0.16 -0.25 0.00 -1.71 0.00 0.00 55.69 53.56 1uoo s MET 156 Cb -0.09 -0.09 -0.02 0.00 2.01 0.00 0.00 34.83 36.64 1uoo s MET 156 CO 0.02 0.02 0.83 0.21 -0.01 0.00 0.00 175.02 176.10 1uoo s LYS 157 N -0.30 4.32 0.07 2.03 2.20 0.22 -0.34 119.74 127.94 1uoo s LYS 157 Ca -0.02 1.03 -0.28 0.00 -0.36 0.00 0.00 55.97 56.34 1uoo s LYS 157 Cb -0.02 -3.56 -0.17 0.00 -1.51 0.00 0.00 37.83 32.56 1uoo s LYS 157 CO -0.00 -0.30 1.62 0.28 -0.36 0.00 0.00 175.35 176.59 1uoo h VAL 158 N 5.15 0.62 -2.17 4.02 2.07 -1.38 0.59 116.25 125.16 1uoo h VAL 158 Ca -0.30 -0.08 -0.58 0.00 0.82 0.00 0.00 66.70 66.56 1uoo h VAL 158 Cb 1.14 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1uoo h VAL 158 CO 0.83 0.02 1.44 -0.62 0.02 0.00 0.00 177.57 179.25 1uoo s ASP 159 N -4.77 5.52 0.00 0.57 2.15 -1.26 -0.44 116.67 118.44 1uoo s ASP 159 Ca -0.16 1.65 0.00 0.00 0.43 0.00 0.00 52.55 54.48 1uoo s ASP 159 Cb 0.04 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1uoo s ASP 159 CO 0.63 -1.95 0.00 0.61 -0.17 0.00 0.00 175.17 174.29 1uoo n GLY 160 N 5.68 0.76 4.04 2.66 0.00 -1.26 -4.40 105.19 112.68 1uoo n GLY 160 Ca 0.28 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 1uoo n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uoo n ALA 161 N -0.26 -1.92 -2.61 4.61 0.00 0.42 -4.90 120.51 115.85 1uoo n ALA 161 Ca 0.00 -0.26 -0.40 0.00 0.00 0.00 0.00 53.44 52.78 1uoo n ALA 161 Cb 0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 19.45 17.79 1uoo n ALA 161 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1uoo s LYS 162 N -6.72 4.44 0.16 0.00 -0.14 0.19 -4.88 119.74 112.78 1uoo s LYS 162 Ca 0.09 0.93 -0.30 0.00 -1.36 0.00 0.00 55.97 55.33 1uoo s LYS 162 Cb -0.05 -3.41 -0.08 0.00 -1.68 0.00 0.00 37.83 32.61 1uoo s LYS 162 CO 0.91 0.16 1.21 -1.21 -0.76 0.00 0.00 175.35 175.65 1uoo s GLU 163 N 0.46 4.47 0.13 1.68 2.02 -1.26 -0.61 118.70 125.60 1uoo s GLU 163 Ca 0.37 1.86 0.06 0.00 0.02 0.00 0.00 54.97 57.29 1uoo s GLU 163 Cb -0.19 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 1uoo s GLU 163 CO 0.20 -0.14 -0.01 -0.51 0.02 0.00 0.00 175.26 174.83 1uoo s LEU 164 N 0.08 3.36 0.53 1.80 1.43 -0.78 -4.90 118.68 120.20 1uoo s LEU 164 Ca 0.54 -0.30 0.26 0.00 -1.03 0.00 0.00 54.13 53.60 1uoo s LEU 164 Cb -0.32 -2.06 1.48 0.00 0.03 0.00 0.00 46.19 45.31 1uoo s LEU 164 CO 0.35 0.13 2.11 1.55 0.23 0.00 0.00 176.35 180.72 1uoo h PRO 165 N 3.07 0.00 -6.32 1.29 0.13 -1.97 -3.41 132.00 124.78 1uoo h PRO 165 Ca -0.48 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.06 1uoo h PRO 165 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.34 1uoo h PRO 165 CO 0.58 0.09 1.08 -0.25 -0.23 0.00 0.00 178.00 179.28 1uoo n ASP 166 N -3.83 3.52 -3.95 1.44 9.92 -1.26 -4.99 116.55 117.39 1uoo n ASP 166 Ca -0.02 0.98 -0.21 0.00 -0.53 0.00 0.00 54.79 55.00 1uoo n ASP 166 Cb 0.19 -1.40 -0.16 0.00 -0.64 0.00 0.00 41.12 39.11 1uoo n ASP 166 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1uoo s VAL 167 N 3.69 0.77 -0.16 2.53 1.01 -1.26 -3.54 120.40 123.44 1uoo s VAL 167 Ca 0.90 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1uoo s VAL 167 Cb -0.65 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1uoo s VAL 167 CO 0.48 0.27 -0.15 -0.76 0.00 0.00 0.00 175.10 174.94 1uoo s LEU 168 N 0.73 2.46 0.37 3.92 1.43 0.06 -4.57 118.68 123.08 1uoo s LEU 168 Ca -0.12 -0.49 0.08 0.00 -1.03 0.00 0.00 54.13 52.57 1uoo s LEU 168 Cb -0.14 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1uoo s LEU 168 CO 0.02 0.07 0.24 -1.61 0.23 0.00 0.00 176.35 175.30 1uoo s GLU 169 N 0.92 2.48 -1.64 1.70 0.41 -1.26 -1.67 118.70 119.64 1uoo s GLU 169 Ca -0.03 -1.52 -0.00 0.00 -0.41 0.00 0.00 54.97 53.01 1uoo s GLU 169 Cb -0.15 -2.28 0.00 0.00 -1.78 0.00 0.00 34.13 29.92 1uoo s GLU 169 CO -0.02 0.00 0.02 0.54 -0.49 0.00 0.00 175.26 175.31 1uoo n ARG 170 N -1.32 -1.63 -3.21 1.61 1.74 -1.26 -4.84 116.66 107.75 1uoo n ARG 170 Ca -0.01 0.93 -0.39 0.00 -0.77 0.00 0.00 57.85 57.61 1uoo n ARG 170 Cb 0.61 -5.50 -0.06 0.00 -1.02 0.00 0.00 32.46 26.49 1uoo n ARG 170 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1uoo s VAL 171 N -2.97 5.11 -0.24 1.55 1.01 -1.16 -1.39 120.40 122.32 1uoo s VAL 171 Ca 0.01 1.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.91 1uoo s VAL 171 Cb -0.00 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.55 1uoo s VAL 171 CO 0.01 0.25 0.63 -0.75 0.00 0.00 0.00 175.10 175.24 1uoo s LYS 172 N 1.05 0.69 -1.37 2.72 2.20 -1.25 0.21 119.74 123.99 1uoo s LYS 172 Ca 0.29 0.99 -0.02 0.00 -0.36 0.00 0.00 55.97 56.87 1uoo s LYS 172 Cb -0.16 0.24 -0.00 0.00 -1.51 0.00 0.00 37.83 36.40 1uoo s LYS 172 CO 0.12 -0.12 0.49 1.19 -0.36 0.00 0.00 175.35 176.67 1uoo n PHE 173 N 3.46 -1.71 -4.17 4.03 3.72 -1.26 -4.78 117.46 116.75 1uoo n PHE 173 Ca -0.17 0.74 -0.29 0.00 -0.05 0.00 0.00 57.45 57.68 1uoo n PHE 173 Cb 0.57 -3.84 -0.08 0.00 -0.94 0.00 0.00 39.48 35.18 1uoo n PHE 173 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1uoo s SER 174 N -4.31 4.82 0.83 4.37 0.15 -1.26 -4.93 113.70 113.36 1uoo s SER 174 Ca 0.03 -0.27 -0.12 0.00 0.70 0.00 0.00 55.95 56.29 1uoo s SER 174 Cb -0.01 -1.07 0.09 0.00 -1.71 0.00 0.00 66.02 63.32 1uoo s SER 174 CO 0.87 0.16 1.19 0.00 1.20 0.00 0.00 173.24 176.66 1uoo s MET 176 N -5.60 0.36 -0.13 0.00 -1.94 -1.25 -4.13 119.30 106.60 1uoo s MET 176 Ca 0.63 0.28 -0.04 0.00 -1.71 0.00 0.00 55.69 54.85 1uoo s MET 176 Cb -0.10 -0.48 0.06 0.00 2.01 0.00 0.00 34.83 36.31 1uoo s MET 176 CO 0.49 -0.83 0.11 0.00 -0.01 0.00 0.00 175.02 174.78 1uoo s ALA 177 N 2.51 0.20 0.19 3.03 0.00 -0.88 -4.78 121.76 122.03 1uoo s ALA 177 Ca 0.11 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.78 1uoo s ALA 177 Cb -0.14 -0.94 -0.08 0.00 0.00 0.00 0.00 23.12 21.96 1uoo s ALA 177 CO -0.23 -0.92 1.03 -1.58 0.00 0.00 0.00 175.76 174.06 1uoo s TRP 178 N 2.19 3.73 0.42 0.00 0.52 -1.26 -0.45 118.94 124.09 1uoo s TRP 178 Ca 0.04 1.74 -0.24 0.00 0.02 0.00 0.00 56.10 57.65 1uoo s TRP 178 Cb -0.14 -3.16 -0.08 0.00 -1.15 0.00 0.00 33.47 28.94 1uoo s TRP 178 CO -0.07 -0.16 1.15 0.95 0.02 0.00 0.00 176.95 178.84 1uoo s THR 179 N -0.54 3.21 -1.10 2.01 -4.23 -1.04 -4.79 115.64 109.15 1uoo s THR 179 Ca 0.46 0.97 0.10 0.00 -1.18 0.00 0.00 61.69 62.04 1uoo s THR 179 Cb -0.28 -3.52 0.11 0.00 1.34 0.00 0.00 72.50 70.15 1uoo s THR 179 CO 0.34 0.05 1.31 1.41 -0.54 0.00 0.00 174.62 177.18 1uoo n HIS 180 N -0.12 0.00 1.63 3.99 -0.00 -1.26 -0.86 115.22 118.59 1uoo n HIS 180 Ca 0.05 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.92 1uoo n HIS 180 Cb 0.47 -0.45 0.68 0.00 -0.00 0.00 0.00 29.99 30.70 1uoo n HIS 180 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1uoo n ASP 181 N -1.45 0.70 -0.29 0.41 5.75 -1.26 -4.85 116.55 115.56 1uoo n ASP 181 Ca 0.03 -1.05 -0.04 0.00 -0.01 0.00 0.00 54.79 53.72 1uoo n ASP 181 Cb 0.11 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.17 1uoo n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uoo n GLY 182 N 1.15 0.52 0.17 6.12 0.00 -0.04 -4.87 105.19 108.24 1uoo n GLY 182 Ca 0.19 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 1uoo n GLY 182 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1uoo h LYS 183 N 0.25 0.31 0.00 1.61 3.64 -1.92 -3.47 116.57 116.99 1uoo h LYS 183 Ca -0.08 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1uoo h LYS 183 Cb 0.72 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1uoo h LYS 183 CO 0.11 0.85 0.00 0.41 -2.27 0.00 0.00 179.45 178.56 1uoo n GLY 184 N 0.38 1.13 3.09 5.01 0.00 -1.26 -1.87 105.19 111.67 1uoo n GLY 184 Ca -0.03 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 1uoo n GLY 184 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1uoo s MET 185 N -0.54 0.24 0.32 1.61 1.75 0.06 -2.50 119.30 120.25 1uoo s MET 185 Ca 0.00 0.39 -0.27 0.00 -1.25 0.00 0.00 55.69 54.56 1uoo s MET 185 Cb 0.00 0.04 -0.09 0.00 2.84 0.00 0.00 34.83 37.62 1uoo s MET 185 CO 0.00 -0.08 1.01 -0.06 -0.65 0.00 0.00 175.02 175.25 1uoo s PHE 186 N 0.51 3.58 0.28 4.11 0.08 0.40 -0.22 117.98 126.72 1uoo s PHE 186 Ca -0.03 1.74 -0.20 0.00 0.12 0.00 0.00 56.93 58.56 1uoo s PHE 186 Cb -0.05 -3.08 0.02 0.00 -0.57 0.00 0.00 43.02 39.34 1uoo s PHE 186 CO -0.03 -0.20 0.70 1.52 -0.10 0.00 0.00 175.22 177.12 1uoo s TYR 187 N -1.45 -0.14 -0.03 0.36 1.13 -0.43 -2.07 117.35 114.72 1uoo s TYR 187 Ca 0.50 -0.32 0.03 0.00 -1.41 0.00 0.00 57.07 55.87 1uoo s TYR 187 Cb -0.24 0.67 -0.03 0.00 -1.10 0.00 0.00 41.96 41.26 1uoo s TYR 187 CO 0.30 -1.23 -0.11 -0.80 -2.51 0.00 0.00 175.55 171.21 1uoo s ASN 188 N -2.93 4.31 0.05 -0.18 -0.87 -1.26 -0.51 114.94 113.55 1uoo s ASN 188 Ca 0.12 -0.17 -0.02 0.00 -1.57 0.00 0.00 52.86 51.23 1uoo s ASN 188 Cb -0.06 -0.96 -0.03 0.00 -0.02 0.00 0.00 41.25 40.18 1uoo s ASN 188 CO 0.07 0.32 -0.01 0.00 -2.57 0.00 0.00 177.10 174.91 1uoo s ALA 189 N -0.85 0.39 -0.03 0.60 0.00 -0.80 -3.90 121.76 117.17 1uoo s ALA 189 Ca 0.14 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 1uoo s ALA 189 Cb -0.11 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1uoo s ALA 189 CO 0.03 -0.35 0.03 0.71 0.00 0.00 0.00 175.76 176.18 1uoo s TYR 190 N -3.59 3.17 0.98 0.00 2.02 -0.49 -1.47 117.35 117.98 1uoo s TYR 190 Ca 0.04 0.16 -0.11 0.00 -0.37 0.00 0.00 57.07 56.79 1uoo s TYR 190 Cb 0.05 -1.73 0.16 0.00 -0.40 0.00 0.00 41.96 40.05 1uoo s TYR 190 CO -0.09 0.50 1.01 -0.35 -1.57 0.00 0.00 175.55 175.05 1uoo n PRO 191 N 1.55 -0.87 -1.84 -1.71 -0.04 -1.26 -4.87 135.00 125.96 1uoo n PRO 191 Ca -0.15 -0.20 -0.37 0.00 -0.04 0.00 0.00 63.50 62.74 1uoo n PRO 191 Cb 0.53 -2.26 0.05 0.00 -0.04 0.00 0.00 33.50 31.77 1uoo n PRO 191 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1uoo s GLN 192 N -4.45 2.96 0.09 0.54 -1.52 -1.26 -5.05 119.66 110.97 1uoo s GLN 192 Ca 0.66 2.07 0.01 0.00 -1.95 0.00 0.00 55.36 56.16 1uoo s GLN 192 Cb -0.23 -2.07 -0.04 0.00 -0.22 0.00 0.00 33.01 30.45 1uoo s GLN 192 CO 0.61 -1.29 -0.06 1.14 -0.25 0.00 0.00 175.29 175.44 1uoo s GLN 193 N -3.13 0.80 0.63 2.91 -2.07 -1.26 -5.15 119.66 112.39 1uoo s GLN 193 Ca 0.76 -1.31 -0.13 0.00 -1.82 0.00 0.00 55.36 52.86 1uoo s GLN 193 Cb -0.37 -0.16 -0.02 0.00 -1.09 0.00 0.00 33.01 31.37 1uoo s GLN 193 CO 0.41 -0.03 1.05 -0.51 -1.32 0.00 0.00 175.29 174.89 1uoo s ASP 194 N -2.99 5.78 0.19 12.60 1.01 -1.26 -4.85 116.67 127.14 1uoo s ASP 194 Ca 0.11 1.66 0.00 0.00 0.71 0.00 0.00 52.55 55.03 1uoo s ASP 194 Cb 0.05 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1uoo s ASP 194 CO -0.05 -1.17 0.00 0.61 0.21 0.00 0.00 175.17 174.77 1uoo n GLY 195 N -1.66 -1.00 3.92 0.21 0.00 -1.26 -4.95 105.19 100.46 1uoo n GLY 195 Ca 0.08 -1.21 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 1uoo n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uoo s LYS 196 N 0.00 3.36 -0.34 1.61 1.02 -1.26 -5.04 119.74 119.08 1uoo s LYS 196 Ca 0.00 0.00 0.15 0.00 0.02 0.00 0.00 55.97 56.14 1uoo s LYS 196 Cb 0.00 -2.42 0.42 0.00 -0.52 0.00 0.00 37.83 35.31 1uoo s LYS 196 CO 0.00 -0.26 0.87 0.43 -0.92 0.00 0.00 175.35 175.47 1uoo n SER 197 N -2.23 1.34 -0.08 2.83 7.64 -1.26 -4.73 113.62 117.12 1uoo n SER 197 Ca 0.01 -2.86 0.02 0.00 1.01 0.00 0.00 58.87 57.05 1uoo n SER 197 Cb 0.56 -0.56 -0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1uoo n SER 197 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1uoo n ASP 198 N 0.05 0.71 0.00 6.43 5.75 -1.26 -4.98 116.55 123.26 1uoo n ASP 198 Ca 0.16 -0.86 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 1uoo n ASP 198 Cb 0.75 0.56 0.00 0.00 -1.03 0.00 0.00 41.12 41.40 1uoo n ASP 198 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uoo n GLY 199 N 0.73 0.75 0.03 6.12 0.00 -1.26 -4.72 105.19 106.83 1uoo n GLY 199 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1uoo n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uoo n THR 200 N -1.00 0.13 -1.74 2.61 -2.24 -1.26 -3.74 114.28 107.04 1uoo n THR 200 Ca 0.00 -0.36 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 1uoo n THR 200 Cb 0.00 0.16 0.05 0.00 -2.10 0.00 0.00 70.33 68.44 1uoo n THR 200 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1uoo s GLU 201 N -3.34 2.79 0.00 -0.78 1.03 -1.26 -4.75 118.70 112.39 1uoo s GLU 201 Ca -0.02 0.64 0.07 0.00 0.03 0.00 0.00 54.97 55.69 1uoo s GLU 201 Cb 0.14 -2.00 0.02 0.00 -0.80 0.00 0.00 34.13 31.49 1uoo s GLU 201 CO 0.86 -1.13 0.60 0.25 -1.33 0.00 0.00 175.26 174.51 1uoo n THR 202 N -3.10 0.00 -1.65 1.83 -2.24 -1.26 -4.88 114.28 102.98 1uoo n THR 202 Ca 0.07 -0.46 -0.47 0.00 -2.27 0.00 0.00 64.05 60.92 1uoo n THR 202 Cb 0.56 1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 69.85 1uoo n THR 202 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1uoo n SER 203 N -0.03 2.66 -4.76 3.42 7.64 -1.26 -0.54 113.62 120.76 1uoo n SER 203 Ca 0.03 1.11 -0.39 0.00 1.01 0.00 0.00 58.87 60.63 1uoo n SER 203 Cb 0.16 -1.38 0.02 0.00 -1.01 0.00 0.00 64.21 62.00 1uoo n SER 203 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1uoo s THR 204 N 0.52 2.27 -0.40 0.44 -1.32 -1.26 -3.15 115.64 112.76 1uoo s THR 204 Ca 0.77 0.23 -0.14 0.00 -1.21 0.00 0.00 61.69 61.33 1uoo s THR 204 Cb -0.73 -3.12 0.02 0.00 -1.51 0.00 0.00 72.50 67.16 1uoo s THR 204 CO 0.43 0.02 0.27 0.20 -2.21 0.00 0.00 174.62 173.33 1uoo s ASN 205 N -0.81 6.00 0.18 8.08 -0.87 0.32 -4.81 114.94 123.04 1uoo s ASN 205 Ca 0.65 -0.90 0.02 0.00 -1.57 0.00 0.00 52.86 51.06 1uoo s ASN 205 Cb -0.40 -2.12 -0.05 0.00 -0.02 0.00 0.00 41.25 38.66 1uoo s ASN 205 CO 0.49 -0.42 -0.00 -0.76 -2.57 0.00 0.00 177.10 173.84 1uoo s LEU 206 N 1.65 2.14 -1.25 0.60 1.43 -1.26 -4.87 118.68 117.10 1uoo s LEU 206 Ca 0.04 -1.18 -0.07 0.00 -1.03 0.00 0.00 54.13 51.90 1uoo s LEU 206 Cb -0.19 -0.11 0.01 0.00 0.03 0.00 0.00 46.19 45.93 1uoo s LEU 206 CO 0.09 -0.55 0.90 1.41 0.23 0.00 0.00 176.35 178.43 1uoo n HIS 207 N -0.28 -2.31 -1.79 0.29 8.25 0.15 -4.68 115.22 114.85 1uoo n HIS 207 Ca -0.06 0.77 -0.41 0.00 -0.26 0.00 0.00 57.72 57.75 1uoo n HIS 207 Cb 0.63 -4.43 -0.01 0.00 1.12 0.00 0.00 29.99 27.30 1uoo n HIS 207 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1uoo s GLN 208 N -5.98 4.12 0.16 -0.41 0.74 -1.26 -4.47 119.66 112.56 1uoo s GLN 208 Ca 0.44 2.58 0.10 0.00 0.05 0.00 0.00 55.36 58.53 1uoo s GLN 208 Cb -0.20 -3.01 -0.04 0.00 1.10 0.00 0.00 33.01 30.87 1uoo s GLN 208 CO 0.55 -0.60 -0.21 0.15 -0.55 0.00 0.00 175.29 174.62 1uoo s LYS 209 N -0.99 1.35 -0.27 1.67 1.02 -0.54 -4.66 119.74 117.32 1uoo s LYS 209 Ca 0.60 -1.40 -0.14 0.00 0.02 0.00 0.00 55.97 55.05 1uoo s LYS 209 Cb -0.47 -1.57 -0.04 0.00 -0.52 0.00 0.00 37.83 35.23 1uoo s LYS 209 CO 0.53 0.34 0.31 -1.17 -0.92 0.00 0.00 175.35 174.43 1uoo s LEU 210 N -2.49 4.04 0.25 3.17 2.96 -0.86 -1.91 118.68 123.83 1uoo s LEU 210 Ca 0.16 0.20 0.10 0.00 -0.22 0.00 0.00 54.13 54.37 1uoo s LEU 210 Cb -0.08 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 1uoo s LEU 210 CO 0.07 -0.13 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.60 1uoo s TYR 211 N 1.89 2.60 -0.15 5.38 2.02 0.34 -1.10 117.35 128.33 1uoo s TYR 211 Ca 0.12 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.60 1uoo s TYR 211 Cb -0.16 -1.18 0.01 0.00 -0.40 0.00 0.00 41.96 40.23 1uoo s TYR 211 CO 0.10 0.61 -0.20 -0.47 -1.57 0.00 0.00 175.55 174.02 1uoo s TYR 212 N -2.19 2.72 -0.28 2.71 5.04 0.98 -1.31 117.35 125.01 1uoo s TYR 212 Ca 0.29 -1.27 -0.09 0.00 -2.44 0.00 0.00 57.07 53.55 1uoo s TYR 212 Cb -0.07 -1.85 -0.03 0.00 0.35 0.00 0.00 41.96 40.37 1uoo s TYR 212 CO 0.18 -0.59 0.14 -1.58 -1.34 0.00 0.00 175.55 172.36 1uoo s HIS 213 N 0.86 3.16 -0.25 4.97 5.65 0.70 -1.37 115.29 129.01 1uoo s HIS 213 Ca -0.05 -0.32 -0.28 0.00 0.25 0.00 0.00 55.06 54.66 1uoo s HIS 213 Cb -0.15 -2.33 0.01 0.00 -1.18 0.00 0.00 32.58 28.92 1uoo s HIS 213 CO -0.02 -0.34 1.00 0.08 -0.65 0.00 0.00 174.74 174.81 1uoo s VAL 214 N 1.66 4.68 0.35 0.89 1.01 -1.26 -0.76 120.40 126.97 1uoo s VAL 214 Ca 0.06 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 63.62 1uoo s VAL 214 Cb -0.16 -4.29 -0.11 0.00 0.00 0.00 0.00 36.38 31.81 1uoo s VAL 214 CO 0.07 -0.22 1.49 -0.11 0.00 0.00 0.00 175.10 176.33 1uoo n LEU 215 N 6.36 4.50 0.00 3.92 7.94 -0.78 -2.30 117.00 136.64 1uoo n LEU 215 Ca 0.11 1.20 0.00 0.00 -1.11 0.00 0.00 56.01 56.21 1uoo n LEU 215 Cb 0.47 -1.59 0.00 0.00 0.53 0.00 0.00 43.42 42.82 1uoo n LEU 215 CO 0.52 0.07 0.00 0.61 -1.11 0.00 0.00 177.39 177.48 1uoo n GLY 216 N 0.93 0.75 3.68 -3.96 0.00 -1.26 -5.00 105.19 100.33 1uoo n GLY 216 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1uoo n GLY 216 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uoo s THR 217 N -2.72 2.35 0.50 2.61 -4.23 -0.97 -5.05 115.64 108.13 1uoo s THR 217 Ca 0.00 -1.86 -0.20 0.00 -1.18 0.00 0.00 61.69 58.46 1uoo s THR 217 Cb 0.00 -2.93 -0.08 0.00 1.34 0.00 0.00 72.50 70.83 1uoo s THR 217 CO 0.00 -0.07 1.05 -1.81 -0.54 0.00 0.00 174.62 173.25 1uoo s ASP 218 N -3.80 6.23 0.39 3.99 1.01 -1.26 -4.80 116.67 118.43 1uoo s ASP 218 Ca 0.38 1.93 0.06 0.00 0.71 0.00 0.00 52.55 55.63 1uoo s ASP 218 Cb 0.04 -2.56 0.79 0.00 1.01 0.00 0.00 42.92 42.20 1uoo s ASP 218 CO 0.20 -0.86 2.02 -0.61 0.21 0.00 0.00 175.17 176.14 1uoo h GLN 219 N 1.40 0.58 -0.62 8.23 4.15 -1.96 -2.30 115.11 124.59 1uoo h GLN 219 Ca -0.49 -0.05 0.18 0.00 0.77 0.00 0.00 58.65 59.06 1uoo h GLN 219 Cb 1.22 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.76 1uoo h GLN 219 CO 0.59 0.42 0.47 0.66 -1.93 0.00 0.00 178.83 179.03 1uoo h SER 220 N 0.59 0.00 0.66 -0.69 4.64 -1.95 0.29 113.55 117.10 1uoo h SER 220 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1uoo h SER 220 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1uoo h SER 220 CO -0.03 0.00 -0.12 -0.62 -0.87 0.00 0.00 176.83 175.19 1uoo n GLU 221 N -4.24 0.26 -1.70 4.77 1.02 -0.87 -4.96 120.64 114.92 1uoo n GLU 221 Ca 0.12 -0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.78 1uoo n GLU 221 Cb 0.71 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.63 1uoo n GLU 221 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1uoo n ASP 222 N -1.32 2.75 -4.72 1.62 9.92 0.09 -4.94 116.55 119.95 1uoo n ASP 222 Ca 0.10 1.18 -0.41 0.00 -0.53 0.00 0.00 54.79 55.13 1uoo n ASP 222 Cb 0.31 -1.50 -0.04 0.00 -0.64 0.00 0.00 41.12 39.25 1uoo n ASP 222 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1uoo s ILE 223 N -1.13 4.84 -0.28 0.53 -1.09 -0.47 -4.86 121.20 118.74 1uoo s ILE 223 Ca 0.57 1.89 -0.24 0.00 -2.23 0.00 0.00 60.65 60.65 1uoo s ILE 223 Cb -0.55 -4.24 -0.00 0.00 -1.58 0.00 0.00 42.46 36.09 1uoo s ILE 223 CO 0.61 0.22 0.79 -0.22 -1.23 0.00 0.00 174.94 175.11 1uoo s LEU 224 N 0.73 4.08 -0.09 2.97 2.96 -1.26 -0.01 118.68 128.05 1uoo s LEU 224 Ca 0.47 0.79 0.10 0.00 -0.22 0.00 0.00 54.13 55.28 1uoo s LEU 224 Cb -0.21 -3.10 -0.15 0.00 0.50 0.00 0.00 46.19 43.24 1uoo s LEU 224 CO 0.26 -0.56 0.08 0.00 -1.32 0.00 0.00 176.35 174.81 1uoo s ALA 226 N -2.38 -1.17 0.01 0.00 0.00 -1.18 -3.18 121.76 113.85 1uoo s ALA 226 Ca -0.05 1.27 -0.16 0.00 0.00 0.00 0.00 51.96 53.02 1uoo s ALA 226 Cb 0.04 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.50 1uoo s ALA 226 CO 0.47 -0.23 0.34 -1.83 0.00 0.00 0.00 175.76 174.50 1uoo s GLU 227 N 0.08 0.76 -0.47 0.00 -1.05 -1.26 -2.03 118.70 114.73 1uoo s GLU 227 Ca -0.01 -0.29 0.08 0.00 -0.15 0.00 0.00 54.97 54.60 1uoo s GLU 227 Cb -0.03 0.34 0.27 0.00 -0.44 0.00 0.00 34.13 34.26 1uoo s GLU 227 CO 0.01 -0.23 0.64 1.19 0.95 0.00 0.00 175.26 177.82 1uoo n PHE 228 N 0.95 1.07 0.28 4.83 3.72 -1.26 -4.95 117.46 122.10 1uoo n PHE 228 Ca -0.20 -3.78 0.17 0.00 -0.05 0.00 0.00 57.45 53.58 1uoo n PHE 228 Cb 0.57 -0.42 0.78 0.00 -0.94 0.00 0.00 39.48 39.47 1uoo n PHE 228 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1uoo h PRO 229 N 3.85 0.00 0.00 -1.08 0.13 -1.97 0.57 132.00 133.50 1uoo h PRO 229 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1uoo h PRO 229 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1uoo h PRO 229 CO 0.59 0.06 -0.20 -0.25 -0.23 0.00 0.00 178.00 177.97 1uoo n ASP 230 N -3.26 0.55 -3.45 1.44 8.00 -1.26 -4.45 116.55 114.13 1uoo n ASP 230 Ca -0.01 0.36 -0.26 0.00 0.71 0.00 0.00 54.79 55.59 1uoo n ASP 230 Cb 0.25 -0.39 -0.09 0.00 -0.02 0.00 0.00 41.12 40.87 1uoo n ASP 230 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1uoo n GLU 231 N -1.95 0.99 0.23 -1.24 -0.58 0.19 -5.00 120.64 113.28 1uoo n GLU 231 Ca 0.05 -3.67 0.16 0.00 -0.42 0.00 0.00 57.16 53.29 1uoo n GLU 231 Cb 0.40 -1.76 0.79 0.00 -0.57 0.00 0.00 31.44 30.30 1uoo n GLU 231 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1uoo h PRO 232 N 4.94 0.00 0.00 3.49 0.11 -1.77 -1.61 132.00 137.16 1uoo h PRO 232 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1uoo h PRO 232 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1uoo h PRO 232 CO 0.53 0.00 -0.63 1.63 -0.21 0.00 0.00 178.00 179.32 1uoo n LYS 233 N -2.65 0.08 -2.10 1.05 5.02 -1.26 -0.67 118.16 117.62 1uoo n LYS 233 Ca -0.01 0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1uoo n LYS 233 Cb 0.13 -1.54 -0.01 0.00 -0.02 0.00 0.00 35.03 33.59 1uoo n LYS 233 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1uoo s TRP 234 N -3.05 2.95 -0.11 2.13 0.52 -0.61 -4.68 118.94 116.09 1uoo s TRP 234 Ca 0.09 1.42 -0.01 0.00 0.02 0.00 0.00 56.10 57.62 1uoo s TRP 234 Cb 0.16 -3.66 0.03 0.00 -1.15 0.00 0.00 33.47 28.85 1uoo s TRP 234 CO 0.73 -1.93 -0.05 -1.64 0.02 0.00 0.00 176.95 174.09 1uoo s MET 235 N -2.01 1.21 -0.37 4.98 -1.94 -0.12 -4.42 119.30 116.63 1uoo s MET 235 Ca 0.53 -0.20 -0.08 0.00 -1.71 0.00 0.00 55.69 54.23 1uoo s MET 235 Cb -0.39 -1.51 0.05 0.00 2.01 0.00 0.00 34.83 35.00 1uoo s MET 235 CO 0.50 -0.32 0.17 0.20 -0.01 0.00 0.00 175.02 175.56 1uoo s GLY 236 N 1.78 1.90 -0.10 -0.03 0.00 -1.26 -0.75 107.32 108.86 1uoo s GLY 236 Ca 0.04 -1.89 -0.14 0.00 0.00 0.00 0.00 44.72 42.73 1uoo s GLY 236 CO -0.07 0.85 0.35 -0.32 0.00 0.00 0.00 173.10 173.91 1uoo s GLY 237 N 1.65 2.32 0.03 0.20 0.00 -0.09 -4.70 107.32 106.73 1uoo s GLY 237 Ca 0.01 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.39 1uoo s GLY 237 CO 0.03 0.35 0.08 0.00 0.00 0.00 0.00 173.10 173.56 1uoo s ALA 238 N -0.06 3.56 0.04 3.20 0.00 -1.26 -0.51 121.76 126.73 1uoo s ALA 238 Ca 0.20 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.13 1uoo s ALA 238 Cb -0.14 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.48 1uoo s ALA 238 CO 0.08 0.72 0.20 -1.83 0.00 0.00 0.00 175.76 174.92 1uoo s GLU 239 N -2.03 0.70 -0.00 0.00 -1.05 -0.39 -4.58 118.70 111.35 1uoo s GLU 239 Ca 0.26 -0.64 -0.14 0.00 -0.15 0.00 0.00 54.97 54.30 1uoo s GLU 239 Cb -0.12 0.29 -0.06 0.00 -0.44 0.00 0.00 34.13 33.80 1uoo s GLU 239 CO 0.18 -0.20 0.39 -0.51 0.95 0.00 0.00 175.26 176.06 1uoo s LEU 240 N -2.11 4.47 0.92 1.83 2.01 -1.26 0.07 118.68 124.61 1uoo s LEU 240 Ca -0.05 0.93 -0.10 0.00 0.01 0.00 0.00 54.13 54.92 1uoo s LEU 240 Cb -0.01 -2.57 0.15 0.00 0.01 0.00 0.00 46.19 43.77 1uoo s LEU 240 CO -0.04 0.33 1.15 -0.94 1.01 0.00 0.00 176.35 177.86 1uoo s SER 241 N -1.10 2.88 0.35 2.29 1.04 -0.28 -4.87 113.70 114.01 1uoo s SER 241 Ca 0.23 2.21 0.08 0.00 0.48 0.00 0.00 55.95 58.95 1uoo s SER 241 Cb -0.16 -2.57 0.79 0.00 0.10 0.00 0.00 66.02 64.17 1uoo s SER 241 CO 0.13 -3.13 1.87 0.44 0.98 0.00 0.00 173.24 173.52 1uoo h ASP 242 N -1.88 0.69 0.70 7.02 3.32 -1.91 0.46 116.42 124.81 1uoo h ASP 242 Ca -0.43 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1uoo h ASP 242 Cb 1.27 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1uoo h ASP 242 CO 0.41 0.35 -0.08 -0.90 -1.72 0.00 0.00 179.24 177.30 1uoo n ASP 243 N -4.57 0.15 -0.04 6.45 5.68 -1.26 -4.92 116.55 118.05 1uoo n ASP 243 Ca 0.17 0.03 -0.01 0.00 -0.50 0.00 0.00 54.79 54.49 1uoo n ASP 243 Cb 0.45 -0.27 -0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1uoo n ASP 243 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uoo n GLY 244 N 1.40 0.47 0.11 6.12 0.00 0.15 -4.93 105.19 108.52 1uoo n GLY 244 Ca 0.10 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 1uoo n GLY 244 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1uoo h ARG 245 N 0.66 0.18 -5.99 1.61 9.65 -1.92 -3.43 114.38 115.15 1uoo h ARG 245 Ca -0.01 -0.31 -0.68 0.00 -1.10 0.00 0.00 59.98 57.87 1uoo h ARG 245 Cb 0.10 0.12 -0.28 0.00 -1.39 0.00 0.00 29.97 28.52 1uoo h ARG 245 CO 0.02 0.97 -0.82 0.71 2.80 0.00 0.00 179.97 183.65 1uoo s TYR 246 N -2.59 2.60 -0.21 2.20 2.02 -1.26 -1.11 117.35 119.00 1uoo s TYR 246 Ca -0.13 -0.50 -0.21 0.00 -0.37 0.00 0.00 57.07 55.86 1uoo s TYR 246 Cb 0.07 -1.66 -0.02 0.00 -0.40 0.00 0.00 41.96 39.95 1uoo s TYR 246 CO 0.81 -0.07 0.66 0.08 -1.57 0.00 0.00 175.55 175.46 1uoo s VAL 247 N -0.26 4.99 -0.20 0.71 1.01 -0.17 -1.12 120.40 125.35 1uoo s VAL 247 Ca 0.01 1.24 -0.08 0.00 0.00 0.00 0.00 61.98 63.14 1uoo s VAL 247 Cb -0.13 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1uoo s VAL 247 CO 0.03 0.08 0.08 -0.76 0.00 0.00 0.00 175.10 174.53 1uoo s LEU 248 N 2.10 3.82 -0.30 3.92 1.43 0.11 -1.03 118.68 128.72 1uoo s LEU 248 Ca 0.29 0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 1uoo s LEU 248 Cb -0.16 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.10 1uoo s LEU 248 CO 0.10 0.13 0.07 -0.22 0.23 0.00 0.00 176.35 176.66 1uoo s LEU 249 N 0.64 3.93 -0.38 1.79 2.96 0.43 -1.27 118.68 126.79 1uoo s LEU 249 Ca 0.04 -0.87 -0.16 0.00 -0.22 0.00 0.00 54.13 52.92 1uoo s LEU 249 Cb -0.13 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.71 1uoo s LEU 249 CO 0.01 -0.23 0.40 -0.44 -1.32 0.00 0.00 176.35 174.78 1uoo s SER 250 N 1.45 6.19 -0.24 3.68 0.01 0.33 -1.80 113.70 123.32 1uoo s SER 250 Ca 0.01 -0.42 -0.08 0.00 1.31 0.00 0.00 55.95 56.77 1uoo s SER 250 Cb -0.18 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 1uoo s SER 250 CO 0.02 -0.45 0.10 -0.63 0.41 0.00 0.00 173.24 172.69 1uoo s ILE 251 N 2.08 4.73 0.10 1.44 1.01 -0.72 -0.91 121.20 128.92 1uoo s ILE 251 Ca 0.12 -0.04 0.09 0.00 0.00 0.00 0.00 60.65 60.82 1uoo s ILE 251 Cb -0.17 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1uoo s ILE 251 CO 0.13 0.35 -0.20 -0.13 0.00 0.00 0.00 174.94 175.09 1uoo s ARG 252 N 1.27 1.78 -0.27 2.79 0.52 0.08 -1.39 118.95 123.74 1uoo s ARG 252 Ca 0.06 -1.16 -0.04 0.00 -0.52 0.00 0.00 55.73 54.07 1uoo s ARG 252 Cb -0.14 -2.09 0.09 0.00 0.52 0.00 0.00 34.95 33.33 1uoo s ARG 252 CO 0.05 0.49 0.12 -2.00 0.02 0.00 0.00 175.30 173.97 1uoo s GLU 253 N -1.91 0.22 0.17 3.54 2.12 -1.26 -0.95 118.70 120.63 1uoo s GLU 253 Ca 0.16 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.00 1uoo s GLU 253 Cb -0.10 -1.36 0.00 0.00 0.26 0.00 0.00 34.13 32.93 1uoo s GLU 253 CO 0.08 -0.95 0.00 0.41 -0.54 0.00 0.00 175.26 174.26 1uoo n GLY 254 N 5.22 -1.81 0.26 -1.50 0.00 -1.26 -4.77 105.19 101.34 1uoo n GLY 254 Ca -0.06 -1.96 0.03 0.00 0.00 0.00 0.00 46.02 44.03 1uoo n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uoo s ASP 256 N -0.57 5.55 -0.81 0.00 1.01 -1.26 -4.85 116.67 115.74 1uoo s ASP 256 Ca 0.08 2.82 -0.21 0.00 0.71 0.00 0.00 52.55 55.95 1uoo s ASP 256 Cb 0.05 -2.64 -0.14 0.00 1.01 0.00 0.00 42.92 41.20 1uoo s ASP 256 CO 0.08 -1.39 1.95 -0.81 0.21 0.00 0.00 175.17 175.21 1uoo n PRO 257 N -0.66 1.59 -3.90 8.23 -0.04 -1.26 -4.80 135.00 134.16 1uoo n PRO 257 Ca 0.08 -1.86 -0.10 0.00 -0.04 0.00 0.00 63.50 61.58 1uoo n PRO 257 Cb 0.44 -2.91 -0.09 0.00 -0.04 0.00 0.00 33.50 30.89 1uoo n PRO 257 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1uoo s VAL 258 N 4.85 0.11 -0.03 0.52 -7.23 -1.26 -3.31 120.40 114.04 1uoo s VAL 258 Ca 0.56 -0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 59.51 1uoo s VAL 258 Cb 0.14 -0.69 0.07 0.00 0.56 0.00 0.00 36.38 36.46 1uoo s VAL 258 CO 0.10 -0.50 0.68 0.54 -0.31 0.00 0.00 175.10 175.61 1uoo s ASN 259 N -1.81 -0.65 0.46 4.85 4.22 -0.48 -4.74 114.94 116.79 1uoo s ASN 259 Ca -0.09 0.66 -0.20 0.00 -2.14 0.00 0.00 52.86 51.09 1uoo s ASN 259 Cb -0.04 0.54 -0.10 0.00 1.28 0.00 0.00 41.25 42.93 1uoo s ASN 259 CO -0.02 -0.64 0.98 -0.13 -2.04 0.00 0.00 177.10 175.25 1uoo s ARG 260 N -1.39 4.07 -0.24 3.55 0.52 -0.48 -4.57 118.95 120.40 1uoo s ARG 260 Ca -0.10 1.16 -0.00 0.00 -0.52 0.00 0.00 55.73 56.26 1uoo s ARG 260 Cb -0.00 -2.15 0.07 0.00 0.52 0.00 0.00 34.95 33.39 1uoo s ARG 260 CO 0.08 -0.18 0.00 -1.17 0.02 0.00 0.00 175.30 174.06 1uoo s LEU 261 N -3.41 2.20 0.18 2.53 1.98 -0.17 -1.76 118.68 120.23 1uoo s LEU 261 Ca 0.63 -1.19 0.06 0.00 -2.89 0.00 0.00 54.13 50.74 1uoo s LEU 261 Cb -0.11 -0.97 -0.04 0.00 0.66 0.00 0.00 46.19 45.73 1uoo s LEU 261 CO 0.18 -0.29 0.08 0.26 -1.89 0.00 0.00 176.35 174.68 1uoo s TRP 262 N 1.55 3.01 0.09 5.38 0.51 -0.74 -0.83 118.94 127.90 1uoo s TRP 262 Ca -0.01 -0.08 0.03 0.00 -2.12 0.00 0.00 56.10 53.92 1uoo s TRP 262 Cb -0.18 -1.44 -0.04 0.00 -0.81 0.00 0.00 33.47 31.00 1uoo s TRP 262 CO -0.10 0.52 -0.09 1.52 -0.51 0.00 0.00 176.95 178.30 1uoo s TYR 263 N -1.79 0.96 -0.16 -1.98 -0.85 -0.21 -0.43 117.35 112.89 1uoo s TYR 263 Ca 0.30 -0.72 -0.02 0.00 -0.52 0.00 0.00 57.07 56.10 1uoo s TYR 263 Cb -0.09 -0.53 0.05 0.00 0.38 0.00 0.00 41.96 41.76 1uoo s TYR 263 CO 0.21 -0.06 0.02 0.00 -1.52 0.00 0.00 175.55 174.20 1uoo s ASP 265 N 1.86 6.00 0.43 0.00 -1.08 -1.26 -1.00 116.67 121.61 1uoo s ASP 265 Ca 0.01 1.13 0.15 0.00 -0.52 0.00 0.00 52.55 53.32 1uoo s ASP 265 Cb -0.16 -2.53 0.94 0.00 -1.46 0.00 0.00 42.92 39.71 1uoo s ASP 265 CO -0.07 -1.65 1.93 -0.07 0.52 0.00 0.00 175.17 175.83 1uoo h LEU 266 N 13.33 0.00 -1.51 -1.34 3.38 -1.48 -0.59 115.31 127.11 1uoo h LEU 266 Ca -0.32 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.70 1uoo h LEU 266 Cb 1.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 1uoo h LEU 266 CO 1.05 0.25 0.39 1.56 0.09 0.00 0.00 178.44 181.78 1uoo h GLN 267 N 0.00 0.61 -0.00 1.13 4.20 -1.90 -2.43 115.11 116.72 1uoo h GLN 267 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1uoo h GLN 267 Cb 0.47 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1uoo h GLN 267 CO 0.03 0.40 -0.02 1.04 -0.67 0.00 0.00 178.83 179.62 1uoo n GLN 268 N -4.47 0.63 -2.38 1.46 1.13 -0.23 -4.80 117.38 108.71 1uoo n GLN 268 Ca 0.08 -0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.67 1uoo n GLN 268 Cb 0.18 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.00 1uoo n GLN 268 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1uoo s GLU 269 N -2.40 4.46 0.15 -1.09 0.41 -0.92 -4.95 118.70 114.36 1uoo s GLU 269 Ca 0.34 1.85 -0.17 0.00 -0.41 0.00 0.00 54.97 56.58 1uoo s GLU 269 Cb 0.21 -3.28 0.00 0.00 -1.78 0.00 0.00 34.13 29.28 1uoo s GLU 269 CO 0.44 -0.17 1.80 0.77 -0.49 0.00 0.00 175.26 177.61 1uoo h SER 270 N 5.90 0.37 -0.54 -0.19 0.02 -1.89 -3.34 113.55 113.88 1uoo h SER 270 Ca -0.43 -0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.25 1uoo h SER 270 Cb 1.21 -0.08 -0.40 0.00 0.14 0.00 0.00 62.40 63.27 1uoo h SER 270 CO 0.78 0.27 -1.13 -3.20 -1.14 0.00 0.00 176.83 172.40 1uoo n ASN 271 N -4.87 1.58 -0.12 3.07 5.15 -1.26 -5.13 115.26 113.68 1uoo n ASN 271 Ca -0.00 -2.16 0.00 0.00 -0.60 0.00 0.00 54.58 51.82 1uoo n ASN 271 Cb 0.04 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.80 1uoo n ASN 271 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1uoo n GLY 272 N -0.50 -1.71 3.60 8.20 0.00 -1.26 -4.64 105.19 108.88 1uoo n GLY 272 Ca 0.08 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 1uoo n GLY 272 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uoo s ILE 273 N 0.00 4.17 0.00 -0.61 1.01 -1.26 -4.77 121.20 119.74 1uoo s ILE 273 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 60.65 61.83 1uoo s ILE 273 Cb 0.00 -4.60 0.00 0.00 0.01 0.00 0.00 42.46 37.87 1uoo s ILE 273 CO 0.00 -1.03 0.00 0.35 0.00 0.00 0.00 174.94 174.26 1uoo n THR 274 N 6.86 0.00 -1.31 2.92 -2.24 -1.26 -5.05 114.28 114.19 1uoo n THR 274 Ca 0.12 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1uoo n THR 274 Cb 0.49 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1uoo n THR 274 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uoo n GLY 275 N 0.53 2.36 3.69 3.38 0.00 -1.26 -4.92 105.19 108.98 1uoo n GLY 275 Ca 0.00 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1uoo n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uoo s ILE 276 N -0.89 3.14 0.69 -0.61 -1.09 -1.15 -4.38 121.20 116.90 1uoo s ILE 276 Ca 0.00 0.59 -0.11 0.00 -2.23 0.00 0.00 60.65 58.90 1uoo s ILE 276 Cb 0.00 -3.38 0.01 0.00 -1.58 0.00 0.00 42.46 37.51 1uoo s ILE 276 CO 0.00 0.00 1.06 -0.76 -1.23 0.00 0.00 174.94 174.01 1uoo s LEU 277 N 2.53 3.12 -1.37 2.97 1.43 -1.19 -4.93 118.68 121.23 1uoo s LEU 277 Ca 0.72 1.59 -0.16 0.00 -1.03 0.00 0.00 54.13 55.25 1uoo s LEU 277 Cb -0.38 -4.47 0.04 0.00 0.03 0.00 0.00 46.19 41.41 1uoo s LEU 277 CO 0.31 -1.41 2.03 0.29 0.23 0.00 0.00 176.35 177.80 1uoo n LYS 278 N -3.11 2.93 -2.01 1.70 5.02 -1.26 -4.96 118.16 116.46 1uoo n LYS 278 Ca 0.07 -2.84 -0.42 0.00 -2.02 0.00 0.00 58.31 53.11 1uoo n LYS 278 Cb 0.54 -3.37 -0.03 0.00 -0.02 0.00 0.00 35.03 32.15 1uoo n LYS 278 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1uoo s TRP 279 N 3.78 3.07 -0.28 2.13 0.52 -1.26 -4.63 118.94 122.28 1uoo s TRP 279 Ca 0.50 0.89 -0.06 0.00 0.02 0.00 0.00 56.10 57.45 1uoo s TRP 279 Cb 0.10 -3.83 0.00 0.00 -1.15 0.00 0.00 33.47 28.59 1uoo s TRP 279 CO -0.01 -2.86 0.06 0.08 0.02 0.00 0.00 176.95 174.24 1uoo s VAL 280 N 0.54 3.92 -1.25 4.03 1.01 0.12 -4.93 120.40 123.84 1uoo s VAL 280 Ca 0.64 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 1uoo s VAL 280 Cb -0.42 -2.96 0.13 0.00 0.00 0.00 0.00 36.38 33.14 1uoo s VAL 280 CO 0.37 0.18 1.58 0.29 0.00 0.00 0.00 175.10 177.52 1uoo n LYS 281 N 4.86 3.30 0.28 2.72 5.02 -1.26 -1.04 118.16 132.04 1uoo n LYS 281 Ca -0.15 -3.60 -0.16 0.00 -2.02 0.00 0.00 58.31 52.37 1uoo n LYS 281 Cb 0.49 -3.21 -0.08 0.00 -0.02 0.00 0.00 35.03 32.21 1uoo n LYS 281 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1uoo h LEU 282 N 10.71 -0.80 -8.00 -0.35 5.85 -1.83 -3.38 115.31 117.51 1uoo h LEU 282 Ca 0.38 0.05 -0.67 0.00 0.84 0.00 0.00 57.88 58.47 1uoo h LEU 282 Cb 0.86 0.24 -0.35 0.00 0.37 0.00 0.00 40.66 41.78 1uoo h LEU 282 CO 1.35 -0.49 -0.79 -0.63 -0.34 0.00 0.00 178.44 177.55 1uoo s ILE 283 N -6.04 2.43 -0.37 4.05 -1.09 -0.01 -4.99 121.20 115.18 1uoo s ILE 283 Ca -0.17 -1.30 0.05 0.00 -2.23 0.00 0.00 60.65 57.00 1uoo s ILE 283 Cb 0.05 -2.29 0.46 0.00 -1.58 0.00 0.00 42.46 39.09 1uoo s ILE 283 CO 0.63 0.14 1.34 -0.67 -1.23 0.00 0.00 174.94 175.15 1uoo n ASP 284 N 4.56 5.44 -3.55 3.58 2.03 -1.26 -1.00 116.55 126.35 1uoo n ASP 284 Ca -0.16 -3.76 -0.12 0.00 0.52 0.00 0.00 54.79 51.28 1uoo n ASP 284 Cb 0.45 -0.46 -0.04 0.00 -0.72 0.00 0.00 41.12 40.35 1uoo n ASP 284 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1uoo s ASN 285 N -3.26 0.40 -0.42 1.67 2.20 -1.26 -5.07 114.94 109.20 1uoo s ASN 285 Ca 0.53 -1.23 0.05 0.00 -0.94 0.00 0.00 52.86 51.27 1uoo s ASN 285 Cb 0.43 0.64 0.53 0.00 -2.00 0.00 0.00 41.25 40.84 1uoo s ASN 285 CO 0.02 -1.26 1.67 0.49 -2.94 0.00 0.00 177.10 175.08 1uoo n PHE 286 N -0.48 2.31 1.07 1.54 3.72 -1.26 -3.60 117.46 120.76 1uoo n PHE 286 Ca -0.01 -2.09 0.12 0.00 -0.05 0.00 0.00 57.45 55.42 1uoo n PHE 286 Cb 0.62 -0.80 0.32 0.00 -0.94 0.00 0.00 39.48 38.68 1uoo n PHE 286 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1uoo n GLU 287 N -1.02 0.20 -3.47 -1.08 -0.58 -1.26 -4.73 120.64 108.69 1uoo n GLU 287 Ca 0.48 -0.11 -0.10 0.00 -0.42 0.00 0.00 57.16 57.01 1uoo n GLU 287 Cb 1.10 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 30.45 1uoo n GLU 287 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1uoo s GLY 288 N -2.88 -0.53 0.12 0.62 0.00 -1.26 -4.82 107.32 98.57 1uoo s GLY 288 Ca 0.15 0.75 -0.22 0.00 0.00 0.00 0.00 44.72 45.39 1uoo s GLY 288 CO 0.64 0.25 0.66 1.85 0.00 0.00 0.00 173.10 176.50 1uoo s GLU 289 N -3.42 4.37 -0.30 2.90 2.12 -1.21 -1.38 118.70 121.78 1uoo s GLU 289 Ca 0.03 0.93 -0.03 0.00 0.36 0.00 0.00 54.97 56.26 1uoo s GLU 289 Cb -0.01 -3.24 0.10 0.00 0.26 0.00 0.00 34.13 31.24 1uoo s GLU 289 CO -0.11 0.61 0.14 0.71 -0.54 0.00 0.00 175.26 176.07 1uoo s TYR 290 N -1.13 0.52 -0.30 5.30 1.51 -1.26 -3.66 117.35 118.33 1uoo s TYR 290 Ca 0.32 -1.06 -0.05 0.00 -1.01 0.00 0.00 57.07 55.27 1uoo s TYR 290 Cb -0.21 -1.00 0.02 0.00 -0.11 0.00 0.00 41.96 40.67 1uoo s TYR 290 CO 0.22 -0.83 0.06 0.34 -1.11 0.00 0.00 175.55 174.23 1uoo s ASP 291 N 1.93 5.02 0.09 2.29 2.15 -0.61 -4.96 116.67 122.59 1uoo s ASP 291 Ca 0.10 -0.91 -0.33 0.00 0.43 0.00 0.00 52.55 51.84 1uoo s ASP 291 Cb -0.17 -1.83 -0.13 0.00 -0.30 0.00 0.00 42.92 40.50 1uoo s ASP 291 CO -0.32 -0.23 1.72 0.00 -0.17 0.00 0.00 175.17 176.18 1uoo n TYR 292 N 4.80 2.39 -0.08 -5.34 9.36 -1.26 -0.84 117.16 126.19 1uoo n TYR 292 Ca -0.14 0.09 -0.10 0.00 3.32 0.00 0.00 57.90 61.07 1uoo n TYR 292 Cb 0.46 -2.62 -0.03 0.00 -0.63 0.00 0.00 39.34 36.52 1uoo n TYR 292 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1uoo n VAL 293 N 4.18 1.44 -3.82 2.97 0.31 0.95 -4.87 118.33 119.49 1uoo n VAL 293 Ca 0.19 0.11 -0.06 0.00 -0.01 0.00 0.00 64.34 64.57 1uoo n VAL 293 Cb 0.31 -2.18 -0.01 0.00 -0.91 0.00 0.00 33.84 31.05 1uoo n VAL 293 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1uoo s THR 294 N -2.73 0.00 0.04 2.52 -1.32 -1.14 -4.43 115.64 108.58 1uoo s THR 294 Ca -0.26 -0.84 -0.00 0.00 -1.21 0.00 0.00 61.69 59.38 1uoo s THR 294 Cb 0.05 -2.23 -0.03 0.00 -1.51 0.00 0.00 72.50 68.77 1uoo s THR 294 CO 0.37 0.00 -0.04 0.54 -2.21 0.00 0.00 174.62 173.29 1uoo s ASN 295 N -3.00 0.46 -0.29 8.08 4.22 -1.26 0.44 114.94 123.58 1uoo s ASN 295 Ca 0.13 -0.75 0.01 0.00 -2.14 0.00 0.00 52.86 50.11 1uoo s ASN 295 Cb -0.04 0.14 0.09 0.00 1.28 0.00 0.00 41.25 42.72 1uoo s ASN 295 CO 0.06 -0.43 0.05 -1.61 -2.04 0.00 0.00 177.10 173.12 1uoo s GLU 296 N -2.68 1.11 7.66 3.55 0.41 -0.16 -4.89 118.70 123.71 1uoo s GLU 296 Ca -0.04 -1.22 0.00 0.00 -0.41 0.00 0.00 54.97 53.30 1uoo s GLU 296 Cb -0.01 -2.45 0.00 0.00 -1.78 0.00 0.00 34.13 29.89 1uoo s GLU 296 CO -0.05 -0.86 0.00 0.41 -0.49 0.00 0.00 175.26 174.27 1uoo n GLY 297 N 4.66 3.78 0.13 -1.39 0.00 -1.26 -2.21 105.19 108.90 1uoo n GLY 297 Ca -0.03 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1uoo n GLY 297 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uoo n THR 298 N 0.00 0.00 -2.88 2.61 -2.24 -1.26 -4.75 114.28 105.76 1uoo n THR 298 Ca 0.00 -0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.28 1uoo n THR 298 Cb 0.00 0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.21 1uoo n THR 298 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1uoo s VAL 299 N -2.57 4.54 -0.18 2.28 1.01 -0.94 -0.90 120.40 123.63 1uoo s VAL 299 Ca 0.25 0.58 -0.06 0.00 0.00 0.00 0.00 61.98 62.74 1uoo s VAL 299 Cb 0.19 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1uoo s VAL 299 CO 0.51 -0.81 0.03 -0.36 0.00 0.00 0.00 175.10 174.47 1uoo s PHE 300 N 3.58 3.16 -0.24 5.22 0.40 0.71 -0.99 117.98 129.82 1uoo s PHE 300 Ca 0.34 -0.11 -0.18 0.00 -0.60 0.00 0.00 56.93 56.37 1uoo s PHE 300 Cb -0.11 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.33 1uoo s PHE 300 CO 0.24 0.03 0.53 0.99 0.70 0.00 0.00 175.22 177.71 1uoo s THR 301 N 0.53 5.07 0.01 0.64 2.01 0.17 -0.69 115.64 123.38 1uoo s THR 301 Ca 0.01 0.94 0.08 0.00 0.31 0.00 0.00 61.69 63.03 1uoo s THR 301 Cb -0.13 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 1uoo s THR 301 CO 0.02 0.11 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.44 1uoo s PHE 302 N 2.12 2.21 -0.07 4.92 0.08 -0.16 -0.03 117.98 127.04 1uoo s PHE 302 Ca 0.23 -0.41 -0.27 0.00 0.12 0.00 0.00 56.93 56.60 1uoo s PHE 302 Cb -0.16 -1.38 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 1uoo s PHE 302 CO 0.09 0.03 0.87 0.21 -0.10 0.00 0.00 175.22 176.32 1uoo s LYS 303 N -0.86 4.45 0.12 0.44 2.20 -0.02 -1.16 119.74 124.91 1uoo s LYS 303 Ca 0.10 1.17 0.03 0.00 -0.36 0.00 0.00 55.97 56.92 1uoo s LYS 303 Cb -0.10 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1uoo s LYS 303 CO 0.00 -0.11 -0.09 -0.08 -0.36 0.00 0.00 175.35 174.72 1uoo s THR 304 N 1.32 0.95 -0.37 3.43 -1.32 0.22 -1.57 115.64 118.31 1uoo s THR 304 Ca 0.44 -1.94 0.04 0.00 -1.21 0.00 0.00 61.69 59.03 1uoo s THR 304 Cb -0.19 -1.70 0.12 0.00 -1.51 0.00 0.00 72.50 69.23 1uoo s THR 304 CO 0.20 -0.76 1.09 -0.46 -2.21 0.00 0.00 174.62 172.49 1uoo n ASN 305 N 0.00 2.35 -4.65 8.08 0.23 -1.24 -1.21 115.26 118.82 1uoo n ASN 305 Ca -0.12 -1.98 -0.42 0.00 -0.53 0.00 0.00 54.58 51.53 1uoo n ASN 305 Cb 0.60 -0.09 -0.03 0.00 -2.08 0.00 0.00 39.78 38.18 1uoo n ASN 305 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1uoo s ARG 306 N -0.99 4.00 -0.95 -3.83 6.06 -1.26 -1.20 118.95 120.77 1uoo s ARG 306 Ca 0.09 2.51 0.00 0.00 -2.50 0.00 0.00 55.73 55.84 1uoo s ARG 306 Cb 0.05 -4.19 0.00 0.00 0.06 0.00 0.00 34.95 30.87 1uoo s ARG 306 CO 0.06 -1.12 0.00 0.72 -2.50 0.00 0.00 175.30 172.46 1uoo n HIS 307 N 8.13 -0.45 -3.29 5.12 8.25 -1.26 -4.88 115.22 126.84 1uoo n HIS 307 Ca 0.21 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.45 1uoo n HIS 307 Cb 0.42 -2.10 -0.08 0.00 1.12 0.00 0.00 29.99 29.35 1uoo n HIS 307 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1uoo s SER 308 N -1.76 1.03 0.57 0.41 1.04 -0.34 -5.00 113.70 109.65 1uoo s SER 308 Ca 0.00 -2.69 0.27 0.00 0.48 0.00 0.00 55.95 54.02 1uoo s SER 308 Cb 0.00 0.02 1.50 0.00 0.10 0.00 0.00 66.02 67.64 1uoo s SER 308 CO 0.00 -0.17 2.00 1.55 0.98 0.00 0.00 173.24 177.60 1uoo h PRO 309 N 5.73 0.00 -0.01 4.02 0.13 -1.90 0.23 132.00 140.19 1uoo h PRO 309 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1uoo h PRO 309 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1uoo h PRO 309 CO 0.29 0.00 -0.00 0.09 -0.23 0.00 0.00 178.00 178.15 1uoo n ASN 310 N -3.98 1.40 -0.05 1.44 3.02 -1.26 -1.45 115.26 114.37 1uoo n ASN 310 Ca 0.07 -1.46 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 1uoo n ASN 310 Cb 0.54 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 1uoo n ASN 310 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1uoo n TYR 311 N 0.09 -0.15 -3.91 3.10 4.02 0.79 -1.23 117.16 119.88 1uoo n TYR 311 Ca 0.19 0.08 -0.10 0.00 -0.01 0.00 0.00 57.90 58.07 1uoo n TYR 311 Cb 0.34 -0.72 -0.01 0.00 -0.02 0.00 0.00 39.34 38.93 1uoo n TYR 311 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1uoo s ARG 312 N -4.49 1.95 -0.20 -0.72 1.70 -0.35 -4.27 118.95 112.58 1uoo s ARG 312 Ca 0.00 -1.37 -0.04 0.00 -0.47 0.00 0.00 55.73 53.85 1uoo s ARG 312 Cb 0.00 0.56 -0.02 0.00 -0.57 0.00 0.00 34.95 34.92 1uoo s ARG 312 CO 0.00 -0.88 -0.02 -0.51 -1.08 0.00 0.00 175.30 172.81 1uoo s LEU 313 N -3.06 3.11 0.17 -1.89 1.43 -0.48 -0.61 118.68 117.36 1uoo s LEU 313 Ca 0.19 -0.26 0.11 0.00 -1.03 0.00 0.00 54.13 53.14 1uoo s LEU 313 Cb -0.04 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1uoo s LEU 313 CO 0.12 0.06 -0.24 0.27 0.23 0.00 0.00 176.35 176.78 1uoo s ILE 314 N 1.03 2.28 -0.23 -0.59 -4.36 -0.31 -0.62 121.20 118.41 1uoo s ILE 314 Ca 0.01 -1.95 -0.05 0.00 -0.26 0.00 0.00 60.65 58.40 1uoo s ILE 314 Cb -0.14 -2.06 -0.02 0.00 1.25 0.00 0.00 42.46 41.49 1uoo s ILE 314 CO 0.01 -0.08 0.00 0.20 0.24 0.00 0.00 174.94 175.31 1uoo s ASN 315 N -2.51 4.64 -0.21 4.36 0.02 0.15 -0.99 114.94 120.40 1uoo s ASN 315 Ca 0.18 -0.31 -0.04 0.00 -1.02 0.00 0.00 52.86 51.67 1uoo s ASN 315 Cb -0.08 -1.81 -0.02 0.00 0.02 0.00 0.00 41.25 39.36 1uoo s ASN 315 CO 0.09 -0.02 -0.02 -0.63 0.02 0.00 0.00 177.10 176.54 1uoo s ILE 316 N 1.48 3.70 -0.28 0.60 1.01 0.14 -1.61 121.20 126.23 1uoo s ILE 316 Ca 0.06 -0.39 -0.20 0.00 0.00 0.00 0.00 60.65 60.11 1uoo s ILE 316 Cb -0.15 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 1uoo s ILE 316 CO -0.00 0.42 0.63 -0.62 0.00 0.00 0.00 174.94 175.37 1uoo s ASP 317 N 1.22 6.54 0.55 3.58 -1.08 -1.26 -0.21 116.67 126.00 1uoo s ASP 317 Ca 0.03 0.57 0.24 0.00 -0.52 0.00 0.00 52.55 52.86 1uoo s ASP 317 Cb -0.14 -2.33 1.44 0.00 -1.46 0.00 0.00 42.92 40.42 1uoo s ASP 317 CO 0.00 -0.43 2.07 -0.26 0.52 0.00 0.00 175.17 177.08 1uoo h PHE 318 N 8.05 0.00 -0.01 -5.34 -1.00 -1.42 0.98 116.94 118.20 1uoo h PHE 318 Ca -0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.51 1uoo h PHE 318 Cb 1.12 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.68 1uoo h PHE 318 CO 0.76 0.00 -0.17 0.25 -1.61 0.00 0.00 178.31 177.54 1uoo n THR 319 N -4.25 0.00 -3.12 -1.55 -2.24 -1.26 -4.19 114.28 97.67 1uoo n THR 319 Ca 0.03 -0.11 -0.17 0.00 -2.27 0.00 0.00 64.05 61.53 1uoo n THR 319 Cb 0.37 0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.76 1uoo n THR 319 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1uoo n ASP 320 N -0.72 0.27 0.01 3.42 2.03 0.29 -5.03 116.55 116.81 1uoo n ASP 320 Ca 0.14 -3.07 0.12 0.00 0.52 0.00 0.00 54.79 52.50 1uoo n ASP 320 Cb 0.31 -0.25 0.52 0.00 -0.72 0.00 0.00 41.12 40.98 1uoo n ASP 320 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1uoo n PRO 321 N 0.46 0.02 -1.96 -0.67 -0.04 -0.89 -4.34 135.00 127.58 1uoo n PRO 321 Ca 0.22 0.10 -0.41 0.00 -0.04 0.00 0.00 63.50 63.37 1uoo n PRO 321 Cb 0.65 -1.53 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 1uoo n PRO 321 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1uoo s GLU 322 N -3.01 4.16 0.30 0.54 2.02 -1.26 -4.89 118.70 116.55 1uoo s GLU 322 Ca 0.12 2.37 0.02 0.00 0.02 0.00 0.00 54.97 57.49 1uoo s GLU 322 Cb 0.16 -2.96 0.56 0.00 0.10 0.00 0.00 34.13 31.99 1uoo s GLU 322 CO 0.46 -0.41 1.87 1.49 0.02 0.00 0.00 175.26 178.68 1uoo h GLU 323 N 3.06 0.96 -0.06 1.61 4.81 -1.98 0.11 114.58 123.08 1uoo h GLU 323 Ca -0.50 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 58.69 1uoo h GLU 323 Cb 1.24 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1uoo h GLU 323 CO 0.64 0.64 0.17 0.66 -0.73 0.00 0.00 179.01 180.39 1uoo h SER 324 N 0.99 0.00 0.12 1.04 4.64 -1.96 -2.00 113.55 116.38 1uoo h SER 324 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1uoo h SER 324 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1uoo h SER 324 CO -0.21 0.00 -1.17 0.29 -0.87 0.00 0.00 176.83 174.87 1uoo n LYS 325 N -3.28 0.19 -1.69 4.77 4.76 0.35 -4.97 118.16 118.29 1uoo n LYS 325 Ca -0.01 -0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 54.98 1uoo n LYS 325 Cb 0.25 -1.52 0.01 0.00 -1.84 0.00 0.00 35.03 31.93 1uoo n LYS 325 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1uoo n TRP 326 N -1.74 2.01 -4.33 2.13 8.01 -0.75 -4.92 117.44 117.84 1uoo n TRP 326 Ca 0.02 0.51 -0.34 0.00 -1.31 0.00 0.00 57.50 56.38 1uoo n TRP 326 Cb 0.40 -2.36 -0.11 0.00 -2.01 0.00 0.00 31.31 27.23 1uoo n TRP 326 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1uoo s LYS 327 N -2.17 3.55 -0.61 -0.99 -0.14 -0.63 -4.95 119.74 113.80 1uoo s LYS 327 Ca 0.61 -0.46 -0.22 0.00 -1.36 0.00 0.00 55.97 54.54 1uoo s LYS 327 Cb -0.52 -2.93 0.06 0.00 -1.68 0.00 0.00 37.83 32.76 1uoo s LYS 327 CO 0.58 0.37 0.89 0.08 -0.76 0.00 0.00 175.35 176.51 1uoo s VAL 328 N 0.04 4.45 -0.07 3.17 1.01 -1.26 0.34 120.40 128.08 1uoo s VAL 328 Ca 0.02 -0.27 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 1uoo s VAL 328 Cb -0.13 -4.58 -0.23 0.00 0.00 0.00 0.00 36.38 31.44 1uoo s VAL 328 CO 0.02 -1.26 1.03 0.25 0.00 0.00 0.00 175.10 175.14 1uoo h LEU 329 N 10.93 0.08 -7.16 3.92 5.85 -1.20 -3.41 115.31 124.33 1uoo h LEU 329 Ca -0.28 -0.74 -0.59 0.00 0.84 0.00 0.00 57.88 57.10 1uoo h LEU 329 Cb 1.08 -0.03 -0.40 0.00 0.37 0.00 0.00 40.66 41.68 1uoo h LEU 329 CO 1.12 0.82 -0.75 -0.69 -0.34 0.00 0.00 178.44 178.60 1uoo s VAL 330 N -3.24 1.07 0.84 1.05 1.01 -0.99 -4.38 120.40 115.74 1uoo s VAL 330 Ca -0.17 -1.68 -0.13 0.00 0.00 0.00 0.00 61.98 60.00 1uoo s VAL 330 Cb 0.00 -1.80 0.05 0.00 0.00 0.00 0.00 36.38 34.64 1uoo s VAL 330 CO 0.70 -0.71 0.85 -2.65 0.00 0.00 0.00 175.10 173.29 1uoo n PRO 331 N 4.56 0.03 -1.81 2.72 -0.02 -1.26 -1.39 135.00 137.83 1uoo n PRO 331 Ca 0.01 0.07 -0.41 0.00 -2.02 0.00 0.00 63.50 61.15 1uoo n PRO 331 Cb 0.41 -2.15 -0.01 0.00 -0.02 0.00 0.00 33.50 31.73 1uoo n PRO 331 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1uoo s GLU 332 N -3.74 4.13 0.42 -0.52 2.12 -1.26 -4.81 118.70 115.04 1uoo s GLU 332 Ca 0.67 2.56 -0.21 0.00 0.36 0.00 0.00 54.97 58.34 1uoo s GLU 332 Cb -0.28 -3.00 -0.11 0.00 0.26 0.00 0.00 34.13 31.01 1uoo s GLU 332 CO 0.57 -0.56 0.96 -1.58 -0.54 0.00 0.00 175.26 174.11 1uoo s HIS 333 N -0.65 3.32 0.25 5.30 5.65 -1.26 -4.98 115.29 122.91 1uoo s HIS 333 Ca 0.57 1.62 -0.04 0.00 0.25 0.00 0.00 55.06 57.46 1uoo s HIS 333 Cb -0.47 -2.88 0.41 0.00 -1.18 0.00 0.00 32.58 28.47 1uoo s HIS 333 CO 0.56 -0.14 1.81 1.49 -0.65 0.00 0.00 174.74 177.81 1uoo h GLU 334 N 2.00 0.76 0.00 2.88 4.81 -1.99 -3.40 114.58 119.64 1uoo h GLU 334 Ca -0.49 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1uoo h GLU 334 Cb 1.18 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1uoo h GLU 334 CO 0.61 0.50 -0.51 1.17 -0.73 0.00 0.00 179.01 180.05 1uoo n LYS 335 N -4.75 0.00 -2.05 1.92 4.81 -1.26 -5.03 118.16 111.79 1uoo n LYS 335 Ca 0.14 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.16 1uoo n LYS 335 Cb 0.29 -0.66 -0.03 0.00 0.02 0.00 0.00 35.03 34.65 1uoo n LYS 335 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1uoo s ASP 336 N -3.80 6.71 -0.03 3.14 1.01 -1.26 -4.82 116.67 117.62 1uoo s ASP 336 Ca 0.00 2.37 -0.30 0.00 0.71 0.00 0.00 52.55 55.33 1uoo s ASP 336 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1uoo s ASP 336 CO 0.00 -0.79 1.00 -0.69 0.21 0.00 0.00 175.17 174.90 1uoo s VAL 337 N 2.10 4.81 -0.65 -1.27 1.01 -0.96 -4.35 120.40 121.09 1uoo s VAL 337 Ca 0.69 2.03 -0.27 0.00 0.00 0.00 0.00 61.98 64.43 1uoo s VAL 337 Cb -0.37 -4.30 0.04 0.00 0.00 0.00 0.00 36.38 31.74 1uoo s VAL 337 CO 0.30 0.11 1.17 -0.22 0.00 0.00 0.00 175.10 176.46 1uoo s LEU 338 N 1.32 3.53 -0.03 3.92 2.96 -0.36 0.04 118.68 130.06 1uoo s LEU 338 Ca 0.51 -0.29 -0.25 0.00 -0.22 0.00 0.00 54.13 53.88 1uoo s LEU 338 Cb -0.21 -2.81 -0.21 0.00 0.50 0.00 0.00 46.19 43.47 1uoo s LEU 338 CO 0.25 -1.58 1.17 -0.33 -1.32 0.00 0.00 176.35 174.54 1uoo h GLU 339 N 9.70 0.08 -2.61 1.98 5.08 -0.52 -3.45 114.58 124.84 1uoo h GLU 339 Ca -0.27 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1uoo h GLU 339 Cb 1.06 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.17 1uoo h GLU 339 CO 1.21 0.67 0.31 1.67 -1.00 0.00 0.00 179.01 181.86 1uoo s TRP 340 N -3.80 -0.49 -0.00 4.33 1.48 -1.19 -5.02 118.94 114.25 1uoo s TRP 340 Ca -0.16 0.40 0.02 0.00 -1.06 0.00 0.00 56.10 55.30 1uoo s TRP 340 Cb 0.01 0.53 -0.00 0.00 -1.16 0.00 0.00 33.47 32.85 1uoo s TRP 340 CO 0.70 -0.71 -0.06 0.08 -4.06 0.00 0.00 176.95 172.90 1uoo s VAL 341 N -3.15 0.46 0.03 -0.66 1.01 -1.26 -1.41 120.40 115.41 1uoo s VAL 341 Ca 0.01 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1uoo s VAL 341 Cb -0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 1uoo s VAL 341 CO -0.09 0.13 -0.12 0.00 0.00 0.00 0.00 175.10 175.03 1uoo s ALA 342 N -0.13 0.97 -0.17 5.51 0.00 -0.58 -4.89 121.76 122.47 1uoo s ALA 342 Ca 0.02 -0.74 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 1uoo s ALA 342 Cb -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1uoo s ALA 342 CO -0.00 0.16 0.05 0.00 0.00 0.00 0.00 175.76 175.97 1uoo s VAL 344 N 0.20 0.15 -1.52 0.00 0.11 -0.80 -1.78 120.40 116.76 1uoo s VAL 344 Ca 0.04 -1.25 -0.08 0.00 -2.93 0.00 0.00 61.98 57.76 1uoo s VAL 344 Cb -0.12 -0.96 0.06 0.00 -1.53 0.00 0.00 36.38 33.83 1uoo s VAL 344 CO 0.01 -0.69 0.59 -1.14 -3.33 0.00 0.00 175.10 170.54 1uoo n ARG 345 N 0.72 -3.45 0.00 1.54 0.63 0.35 -1.63 116.66 114.82 1uoo n ARG 345 Ca -0.18 0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1uoo n ARG 345 Cb 0.59 -4.81 0.00 0.00 0.45 0.00 0.00 32.46 28.69 1uoo n ARG 345 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1uoo n SER 346 N -2.86 0.00 -0.31 6.15 7.64 0.11 -4.09 113.62 120.27 1uoo n SER 346 Ca -0.15 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.81 1uoo n SER 346 Cb 0.61 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.93 1uoo n SER 346 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1uoo n ASN 347 N 1.81 1.78 -4.80 6.43 2.04 -1.22 -5.01 115.26 116.29 1uoo n ASN 347 Ca 0.00 -3.01 -0.29 0.00 -0.44 0.00 0.00 54.58 50.84 1uoo n ASN 347 Cb 0.00 -0.40 -0.06 0.00 -2.53 0.00 0.00 39.78 36.79 1uoo n ASN 347 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 1uoo s PHE 348 N -2.34 3.20 -0.06 -2.53 0.08 -0.65 -1.57 117.98 114.11 1uoo s PHE 348 Ca 0.28 0.05 0.04 0.00 0.12 0.00 0.00 56.93 57.42 1uoo s PHE 348 Cb 0.26 -1.59 -0.00 0.00 -0.57 0.00 0.00 43.02 41.12 1uoo s PHE 348 CO -0.00 0.52 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.94 1uoo s LEU 349 N -2.69 1.93 -0.35 -0.37 1.43 0.51 -1.90 118.68 117.24 1uoo s LEU 349 Ca 0.30 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 1uoo s LEU 349 Cb -0.11 -1.11 0.01 0.00 0.03 0.00 0.00 46.19 45.01 1uoo s LEU 349 CO 0.23 0.15 0.20 -0.69 0.23 0.00 0.00 176.35 176.47 1uoo s VAL 350 N 0.15 4.71 -0.14 -1.59 1.01 0.84 -0.16 120.40 125.22 1uoo s VAL 350 Ca -0.08 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 1uoo s VAL 350 Cb -0.14 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1uoo s VAL 350 CO 0.04 -0.13 0.00 -0.76 0.00 0.00 0.00 175.10 174.25 1uoo s LEU 351 N 1.60 3.52 -0.25 3.92 1.43 -0.06 -1.53 118.68 127.31 1uoo s LEU 351 Ca 0.03 0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1uoo s LEU 351 Cb -0.18 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1uoo s LEU 351 CO 0.07 0.24 0.01 0.00 0.23 0.00 0.00 176.35 176.90 1uoo s TYR 353 N 1.51 3.15 -0.37 0.00 2.02 -0.10 0.26 117.35 123.81 1uoo s TYR 353 Ca 0.05 0.07 -0.08 0.00 -0.37 0.00 0.00 57.07 56.74 1uoo s TYR 353 Cb -0.15 -1.62 0.05 0.00 -0.40 0.00 0.00 41.96 39.84 1uoo s TYR 353 CO -0.00 0.51 0.17 -1.17 -1.57 0.00 0.00 175.55 173.49 1uoo s LEU 354 N -2.20 4.68 -0.33 -1.29 2.96 0.11 -1.56 118.68 121.05 1uoo s LEU 354 Ca 0.27 -1.26 -0.05 0.00 -0.22 0.00 0.00 54.13 52.86 1uoo s LEU 354 Cb -0.12 -1.93 0.04 0.00 0.50 0.00 0.00 46.19 44.68 1uoo s LEU 354 CO 0.19 -0.41 0.08 -2.28 -1.32 0.00 0.00 176.35 172.61 1uoo s HIS 355 N 1.43 3.25 -1.38 5.38 5.65 0.93 -2.26 115.29 128.29 1uoo s HIS 355 Ca 0.01 -1.51 -0.02 0.00 0.25 0.00 0.00 55.06 53.79 1uoo s HIS 355 Cb -0.21 -2.24 0.01 0.00 -1.18 0.00 0.00 32.58 28.97 1uoo s HIS 355 CO 0.03 -0.74 0.63 -0.25 -0.65 0.00 0.00 174.74 173.75 1uoo n ASP 356 N 4.77 -1.28 -1.23 9.88 8.00 -1.26 -1.84 116.55 133.58 1uoo n ASP 356 Ca -0.13 -0.89 -0.14 0.00 0.71 0.00 0.00 54.79 54.34 1uoo n ASP 356 Cb 0.44 -3.62 -0.04 0.00 -0.02 0.00 0.00 41.12 37.88 1uoo n ASP 356 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1uoo n VAL 357 N -4.37 -0.23 -4.34 2.53 0.31 -1.26 -5.02 118.33 105.95 1uoo n VAL 357 Ca -0.26 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 63.88 1uoo n VAL 357 Cb 0.66 -1.71 -0.13 0.00 -0.91 0.00 0.00 33.84 31.75 1uoo n VAL 357 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1uoo s LYS 358 N -3.71 0.90 0.06 5.55 1.02 -0.77 -4.45 119.74 118.34 1uoo s LYS 358 Ca 0.00 -0.73 -0.21 0.00 0.02 0.00 0.00 55.97 55.05 1uoo s LYS 358 Cb 0.00 -0.89 -0.06 0.00 -0.52 0.00 0.00 37.83 36.35 1uoo s LYS 358 CO 0.00 0.22 0.62 -0.80 -0.92 0.00 0.00 175.35 174.47 1uoo s ASN 359 N -1.10 7.09 0.01 2.83 0.02 -0.60 -0.05 114.94 123.14 1uoo s ASN 359 Ca 0.01 1.29 0.07 0.00 -1.02 0.00 0.00 52.86 53.21 1uoo s ASN 359 Cb -0.08 -2.39 -0.02 0.00 0.02 0.00 0.00 41.25 38.79 1uoo s ASN 359 CO 0.01 0.19 -0.22 0.42 0.02 0.00 0.00 177.10 177.52 1uoo s THR 360 N -0.74 1.76 -0.12 1.60 -4.23 -0.60 -4.76 115.64 108.55 1uoo s THR 360 Ca 0.31 -1.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.77 1uoo s THR 360 Cb -0.20 -1.49 0.01 0.00 1.34 0.00 0.00 72.50 72.16 1uoo s THR 360 CO 0.20 0.38 -0.22 -0.22 -0.54 0.00 0.00 174.62 174.22 1uoo s LEU 361 N -0.82 2.07 0.10 4.79 2.96 -1.26 -0.92 118.68 125.60 1uoo s LEU 361 Ca 0.09 -0.57 0.06 0.00 -0.22 0.00 0.00 54.13 53.49 1uoo s LEU 361 Cb -0.09 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 1uoo s LEU 361 CO 0.00 0.10 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.88 1uoo s GLN 362 N 0.64 0.98 -0.15 1.98 -0.21 -0.03 -0.95 119.66 121.92 1uoo s GLN 362 Ca -0.12 -1.11 -0.04 0.00 0.02 0.00 0.00 55.36 54.11 1uoo s GLN 362 Cb -0.16 -1.01 -0.03 0.00 1.00 0.00 0.00 33.01 32.80 1uoo s GLN 362 CO 0.02 0.22 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.22 1uoo s LEU 363 N -2.04 3.33 0.14 2.90 2.96 0.90 -0.88 118.68 125.98 1uoo s LEU 363 Ca 0.04 -0.09 0.07 0.00 -0.22 0.00 0.00 54.13 53.94 1uoo s LEU 363 Cb -0.08 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1uoo s LEU 363 CO 0.03 0.19 -0.16 -1.00 -1.32 0.00 0.00 176.35 174.09 1uoo s HIS 364 N 0.25 1.57 0.06 5.38 3.76 0.77 0.09 115.29 127.17 1uoo s HIS 364 Ca -0.02 -0.52 -0.30 0.00 -0.15 0.00 0.00 55.06 54.07 1uoo s HIS 364 Cb -0.14 -0.81 -0.05 0.00 1.11 0.00 0.00 32.58 32.70 1uoo s HIS 364 CO 0.03 0.22 1.00 0.34 -0.85 0.00 0.00 174.74 175.47 1uoo s ASP 365 N -2.52 7.40 0.12 1.40 2.15 -0.25 -0.36 116.67 124.60 1uoo s ASP 365 Ca 0.11 1.77 -0.16 0.00 0.43 0.00 0.00 52.55 54.70 1uoo s ASP 365 Cb -0.05 -2.58 -0.02 0.00 -0.30 0.00 0.00 42.92 39.96 1uoo s ASP 365 CO 0.04 -0.19 1.60 0.25 -0.17 0.00 0.00 175.17 176.71 1uoo h LEU 366 N 6.19 0.60 -0.62 -1.34 5.85 -1.60 0.39 115.31 124.79 1uoo h LEU 366 Ca -0.42 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.03 1uoo h LEU 366 Cb 1.22 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1uoo h LEU 366 CO 0.74 0.71 0.35 0.00 -0.34 0.00 0.00 178.44 179.89 1uoo h ALA 367 N 0.92 0.80 0.00 1.25 0.00 -1.94 -3.34 119.26 116.95 1uoo h ALA 367 Ca 0.12 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1uoo h ALA 367 Cb 0.36 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1uoo h ALA 367 CO 0.01 0.31 -1.60 0.25 0.00 0.00 0.00 179.25 178.22 1uoo n THR 368 N -4.56 0.36 -0.67 0.00 -2.24 -1.23 -5.01 114.28 100.93 1uoo n THR 368 Ca 0.04 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1uoo n THR 368 Cb 0.08 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1uoo n THR 368 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uoo n GLY 369 N 2.15 0.83 3.76 3.38 0.00 0.14 -4.84 105.19 110.60 1uoo n GLY 369 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1uoo n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uoo s ALA 370 N -3.30 3.56 0.22 4.61 0.00 -1.25 -4.57 121.76 121.04 1uoo s ALA 370 Ca 0.00 1.30 -0.31 0.00 0.00 0.00 0.00 51.96 52.96 1uoo s ALA 370 Cb 0.00 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 1uoo s ALA 370 CO 0.00 -0.71 1.51 -1.17 0.00 0.00 0.00 175.76 175.40 1uoo s LEU 371 N -1.05 4.37 -0.06 0.00 2.96 -1.26 -1.10 118.68 122.55 1uoo s LEU 371 Ca 0.54 2.68 0.00 0.00 -0.22 0.00 0.00 54.13 57.14 1uoo s LEU 371 Cb -0.41 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.63 1uoo s LEU 371 CO 0.48 -0.78 -0.05 0.18 -1.32 0.00 0.00 176.35 174.86 1uoo n LEU 372 N 2.98 2.79 -3.69 -0.68 4.77 0.11 -4.92 117.00 118.37 1uoo n LEU 372 Ca 0.10 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 1uoo n LEU 372 Cb 0.39 -0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 1uoo n LEU 372 CO 0.61 0.56 0.15 -0.75 -1.33 0.00 0.00 177.39 176.63 1uoo s LYS 373 N -2.12 0.51 -0.17 3.23 2.47 -1.09 -5.00 119.74 117.58 1uoo s LYS 373 Ca -0.08 0.85 -0.17 0.00 -1.56 0.00 0.00 55.97 55.01 1uoo s LYS 373 Cb 0.02 0.10 -0.04 0.00 -1.46 0.00 0.00 37.83 36.45 1uoo s LYS 373 CO 0.13 -0.13 0.43 0.42 0.16 0.00 0.00 175.35 176.36 1uoo s ILE 374 N 1.11 5.19 -0.34 5.43 -1.09 -1.26 -0.07 121.20 130.18 1uoo s ILE 374 Ca -0.07 0.81 -0.26 0.00 -2.23 0.00 0.00 60.65 58.90 1uoo s ILE 374 Cb -0.06 -3.76 0.01 0.00 -1.58 0.00 0.00 42.46 37.06 1uoo s ILE 374 CO -0.10 0.28 0.91 -0.36 -1.23 0.00 0.00 174.94 174.44 1uoo s PHE 375 N 1.04 3.14 0.01 3.97 0.08 -0.12 -5.00 117.98 121.09 1uoo s PHE 375 Ca 0.22 0.88 -0.30 0.00 0.12 0.00 0.00 56.93 57.85 1uoo s PHE 375 Cb -0.15 -3.51 -0.06 0.00 -0.57 0.00 0.00 43.02 38.73 1uoo s PHE 375 CO 0.08 -0.73 1.46 -1.25 -0.10 0.00 0.00 175.22 174.69 1uoo s PRO 376 N 3.34 4.26 0.20 0.24 0.04 -1.26 -4.38 135.00 137.43 1uoo s PRO 376 Ca 0.38 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.52 1uoo s PRO 376 Cb -0.13 -3.61 -0.05 0.00 0.04 0.00 0.00 34.50 30.76 1uoo s PRO 376 CO 0.16 -0.63 -0.09 -0.51 0.04 0.00 0.00 177.00 175.97 1uoo s LEU 377 N 2.58 2.46 0.90 -3.56 1.43 -1.26 -5.11 118.68 116.11 1uoo s LEU 377 Ca 0.66 -1.08 -0.10 0.00 -1.03 0.00 0.00 54.13 52.57 1uoo s LEU 377 Cb -0.33 -0.46 0.19 0.00 0.03 0.00 0.00 46.19 45.63 1uoo s LEU 377 CO 0.27 -0.33 1.22 -1.61 0.23 0.00 0.00 176.35 176.14 1uoo s GLU 378 N -3.74 0.84 -0.07 1.70 0.41 -1.26 -5.03 118.70 111.55 1uoo s GLU 378 Ca 0.22 -0.79 -0.30 0.00 -0.41 0.00 0.00 54.97 53.70 1uoo s GLU 378 Cb 0.02 -2.02 -0.03 0.00 -1.78 0.00 0.00 34.13 30.33 1uoo s GLU 378 CO 0.05 -2.18 1.18 0.14 -0.49 0.00 0.00 175.26 173.97 1uoo s VAL 379 N -3.65 4.31 -2.81 2.63 -7.23 -1.26 -4.84 120.40 107.54 1uoo s VAL 379 Ca 0.73 1.63 0.00 0.00 -1.81 0.00 0.00 61.98 62.53 1uoo s VAL 379 Cb -0.03 -4.05 0.00 0.00 0.56 0.00 0.00 36.38 32.86 1uoo s VAL 379 CO 0.50 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.89 1uoo n GLY 380 N 3.35 -0.57 3.19 2.32 0.00 -1.26 -4.83 105.19 107.39 1uoo n GLY 380 Ca 0.11 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 1uoo n GLY 380 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uoo s SER 381 N -4.00 1.92 -0.41 1.61 0.01 0.01 -1.55 113.70 111.28 1uoo s SER 381 Ca 0.00 -0.58 -0.18 0.00 1.31 0.00 0.00 55.95 56.50 1uoo s SER 381 Cb 0.00 -0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.15 1uoo s SER 381 CO 0.00 -0.00 0.47 -0.69 0.41 0.00 0.00 173.24 173.43 1uoo s VAL 382 N -1.11 5.05 -1.35 3.43 1.01 -1.26 -0.80 120.40 125.37 1uoo s VAL 382 Ca 0.01 -0.19 0.13 0.00 0.00 0.00 0.00 61.98 61.93 1uoo s VAL 382 Cb -0.09 -4.04 0.05 0.00 0.00 0.00 0.00 36.38 32.29 1uoo s VAL 382 CO 0.02 -0.41 0.81 1.33 0.00 0.00 0.00 175.10 176.85 1uoo n VAL 383 N 5.48 0.00 -3.83 2.92 0.24 -0.53 -5.00 118.33 117.62 1uoo n VAL 383 Ca -0.06 -0.43 -0.11 0.00 -2.04 0.00 0.00 64.34 61.69 1uoo n VAL 383 Cb 0.48 1.20 -0.09 0.00 -1.47 0.00 0.00 33.84 33.96 1uoo n VAL 383 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1uoo s GLY 384 N -1.32 -0.01 -0.18 7.63 0.00 -1.22 -4.96 107.32 107.26 1uoo s GLY 384 Ca 0.12 -0.06 -0.27 0.00 0.00 0.00 0.00 44.72 44.51 1uoo s GLY 384 CO 0.24 -0.23 0.70 -0.47 0.00 0.00 0.00 173.10 173.34 1uoo s TYR 385 N -1.75 -0.73 -0.03 1.90 5.04 -1.26 -1.50 117.35 119.01 1uoo s TYR 385 Ca -0.11 1.59 -0.02 0.00 -2.44 0.00 0.00 57.07 56.09 1uoo s TYR 385 Cb -0.05 0.32 0.01 0.00 0.35 0.00 0.00 41.96 42.60 1uoo s TYR 385 CO 0.01 -0.47 0.07 -1.54 -1.34 0.00 0.00 175.55 172.27 1uoo s SER 386 N -0.26 -0.05 0.00 4.32 1.04 0.76 -4.97 113.70 114.53 1uoo s SER 386 Ca -0.04 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1uoo s SER 386 Cb -0.03 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1uoo s SER 386 CO 0.05 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1uoo n GLY 387 N 3.34 1.05 2.15 7.32 0.00 -1.26 -1.64 105.19 116.15 1uoo n GLY 387 Ca -0.16 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1uoo n GLY 387 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uoo n GLN 388 N 0.00 0.73 -0.18 1.61 10.64 -1.26 -4.46 117.38 124.45 1uoo n GLN 388 Ca 0.00 -1.70 -0.03 0.00 -1.83 0.00 0.00 57.00 53.44 1uoo n GLN 388 Cb 0.00 -0.16 0.07 0.00 -0.86 0.00 0.00 30.24 29.29 1uoo n GLN 388 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1uoo h LYS 389 N 0.00 0.49 0.00 2.61 3.64 -1.70 -2.09 116.57 119.53 1uoo h LYS 389 Ca -0.15 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1uoo h LYS 389 Cb 0.68 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1uoo h LYS 389 CO 0.21 0.33 0.00 1.57 -2.27 0.00 0.00 179.45 179.29 1uoo h LYS 390 N 0.51 0.00 -7.01 1.90 2.10 -1.94 0.51 116.57 112.63 1uoo h LYS 390 Ca 0.25 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.39 1uoo h LYS 390 Cb 0.19 0.00 0.08 0.00 -0.90 0.00 0.00 32.23 31.60 1uoo h LYS 390 CO -0.19 0.00 0.50 -0.51 -2.00 0.00 0.00 179.45 177.25 1uoo s ASP 391 N -5.58 5.99 -0.13 7.07 1.01 -0.78 -4.78 116.67 119.47 1uoo s ASP 391 Ca 0.06 2.38 0.15 0.00 0.71 0.00 0.00 52.55 55.85 1uoo s ASP 391 Cb 0.08 -2.61 0.41 0.00 1.01 0.00 0.00 42.92 41.81 1uoo s ASP 391 CO 0.60 -1.04 1.31 0.35 0.21 0.00 0.00 175.17 176.60 1uoo n THR 392 N -0.62 1.93 -3.62 -1.27 -2.24 -1.26 -0.50 114.28 106.71 1uoo n THR 392 Ca 0.08 -1.77 -0.11 0.00 -2.27 0.00 0.00 64.05 59.98 1uoo n THR 392 Cb 0.48 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 1uoo n THR 392 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1uoo s GLU 393 N -2.45 1.09 0.07 -0.78 -1.05 -1.26 -1.60 118.70 112.73 1uoo s GLU 393 Ca 0.35 -0.69 0.07 0.00 -0.15 0.00 0.00 54.97 54.55 1uoo s GLU 393 Cb 0.27 0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 34.41 1uoo s GLU 393 CO 0.08 -0.43 -0.19 0.96 0.95 0.00 0.00 175.26 176.63 1uoo s ILE 394 N -3.80 1.56 -0.03 1.83 -4.36 -0.69 -4.55 121.20 111.16 1uoo s ILE 394 Ca 0.03 -1.35 0.08 0.00 -0.26 0.00 0.00 60.65 59.14 1uoo s ILE 394 Cb 0.02 -1.40 -0.02 0.00 1.25 0.00 0.00 42.46 42.30 1uoo s ILE 394 CO -0.12 0.00 -0.26 -0.36 0.24 0.00 0.00 174.94 174.45 1uoo s PHE 395 N -1.03 2.33 -0.08 1.37 0.08 -0.65 -1.61 117.98 118.38 1uoo s PHE 395 Ca 0.05 -0.48 -0.07 0.00 0.12 0.00 0.00 56.93 56.56 1uoo s PHE 395 Cb -0.09 -1.50 0.02 0.00 -0.57 0.00 0.00 43.02 40.87 1uoo s PHE 395 CO 0.03 -0.07 0.20 1.52 -0.10 0.00 0.00 175.22 176.81 1uoo s TYR 396 N -0.54 -0.23 -0.17 0.36 1.13 -0.81 -0.17 117.35 116.91 1uoo s TYR 396 Ca 0.08 0.56 -0.07 0.00 -1.41 0.00 0.00 57.07 56.23 1uoo s TYR 396 Cb -0.11 0.07 -0.04 0.00 -1.10 0.00 0.00 41.96 40.78 1uoo s TYR 396 CO -0.00 -0.12 0.04 -1.14 -2.51 0.00 0.00 175.55 171.82 1uoo s GLN 397 N 0.27 3.89 -0.06 -3.49 0.74 -0.56 -0.92 119.66 119.52 1uoo s GLN 397 Ca -0.01 -0.37 0.02 0.00 0.05 0.00 0.00 55.36 55.04 1uoo s GLN 397 Cb -0.03 -3.15 -0.03 0.00 1.10 0.00 0.00 33.01 30.91 1uoo s GLN 397 CO -0.01 0.29 -0.09 0.12 -0.55 0.00 0.00 175.29 175.05 1uoo s PHE 398 N 0.30 2.87 0.18 1.67 5.36 0.11 -1.45 117.98 127.02 1uoo s PHE 398 Ca 0.02 -0.03 0.01 0.00 -0.96 0.00 0.00 56.93 55.96 1uoo s PHE 398 Cb -0.13 -1.69 -0.04 0.00 -0.34 0.00 0.00 43.02 40.82 1uoo s PHE 398 CO 0.01 0.29 0.05 -0.08 -1.46 0.00 0.00 175.22 174.03 1uoo s THR 399 N -0.77 0.40 0.29 0.12 -1.32 0.02 -1.16 115.64 113.22 1uoo s THR 399 Ca 0.12 -1.97 -0.19 0.00 -1.21 0.00 0.00 61.69 58.44 1uoo s THR 399 Cb -0.11 -2.27 0.05 0.00 -1.51 0.00 0.00 72.50 68.67 1uoo s THR 399 CO 0.01 -0.30 0.85 -0.94 -2.21 0.00 0.00 174.62 172.03 1uoo s SER 400 N -3.17 -0.07 0.38 8.08 1.04 -1.18 -0.81 113.70 117.97 1uoo s SER 400 Ca 0.29 -0.85 0.06 0.00 0.48 0.00 0.00 55.95 55.92 1uoo s SER 400 Cb 0.07 0.71 0.75 0.00 0.10 0.00 0.00 66.02 67.64 1uoo s SER 400 CO 0.07 -1.38 1.99 -0.26 0.98 0.00 0.00 173.24 174.64 1uoo h PHE 401 N 2.00 0.56 -0.00 5.02 0.04 -1.86 -2.51 116.94 120.19 1uoo h PHE 401 Ca -0.28 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.48 1uoo h PHE 401 Cb 1.24 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1uoo h PHE 401 CO 1.08 0.42 -0.27 1.28 -0.60 0.00 0.00 178.31 180.21 1uoo n LEU 402 N -4.40 0.94 -4.15 1.54 4.77 -1.26 -4.47 117.00 109.96 1uoo n LEU 402 Ca 0.03 -0.68 -0.33 0.00 -0.03 0.00 0.00 56.01 55.00 1uoo n LEU 402 Cb 0.12 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.05 1uoo n LEU 402 CO 0.37 0.20 -0.54 -0.55 -1.33 0.00 0.00 177.39 175.53 1uoo s SER 403 N -1.49 3.10 0.37 -1.43 0.15 -1.21 -4.73 113.70 108.46 1uoo s SER 403 Ca 0.06 -0.61 0.14 0.00 0.70 0.00 0.00 55.95 56.24 1uoo s SER 403 Cb 0.07 -1.44 0.97 0.00 -1.71 0.00 0.00 66.02 63.91 1uoo s SER 403 CO 0.28 0.05 1.79 -0.65 1.20 0.00 0.00 173.24 175.92 1uoo h PRO 404 N 7.52 0.51 0.00 5.44 0.11 -1.82 -3.12 132.00 140.64 1uoo h PRO 404 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1uoo h PRO 404 Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1uoo h PRO 404 CO 0.58 0.34 0.00 0.41 -0.21 0.00 0.00 178.00 179.12 1uoo n GLY 405 N -1.43 0.87 2.94 -0.55 0.00 -1.26 -4.79 105.19 100.97 1uoo n GLY 405 Ca 0.23 -2.20 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 1uoo n GLY 405 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uoo s ILE 406 N -0.95 -0.00 -0.21 -0.61 -0.00 -0.31 -3.66 121.20 115.46 1uoo s ILE 406 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 60.65 60.58 1uoo s ILE 406 Cb 0.00 -0.10 -0.03 0.00 -0.00 0.00 0.00 42.46 42.33 1uoo s ILE 406 CO 0.00 0.00 0.05 -0.63 -0.00 0.00 0.00 174.94 174.36 1uoo s ILE 407 N 0.04 4.40 0.02 8.37 1.01 -0.04 0.05 121.20 135.06 1uoo s ILE 407 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1uoo s ILE 407 Cb -0.01 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 1uoo s ILE 407 CO 0.00 0.40 0.09 -0.31 0.00 0.00 0.00 174.94 175.13 1uoo s TYR 408 N 1.00 3.29 -0.01 3.97 1.51 -0.09 -0.12 117.35 126.90 1uoo s TYR 408 Ca 0.03 0.19 0.07 0.00 -1.01 0.00 0.00 57.07 56.35 1uoo s TYR 408 Cb -0.14 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 39.97 1uoo s TYR 408 CO 0.03 0.55 -0.23 -1.58 -1.11 0.00 0.00 175.55 173.20 1uoo s HIS 409 N -1.27 2.41 -0.06 2.71 2.46 -0.16 -1.93 115.29 119.45 1uoo s HIS 409 Ca 0.25 -0.37 -0.02 0.00 0.47 0.00 0.00 55.06 55.39 1uoo s HIS 409 Cb -0.12 -1.50 0.03 0.00 -0.13 0.00 0.00 32.58 30.86 1uoo s HIS 409 CO 0.17 0.05 0.05 0.00 -2.47 0.00 0.00 174.74 172.54 1uoo s ASP 411 N 2.13 6.80 0.00 0.00 -1.08 -1.26 -1.71 116.67 121.55 1uoo s ASP 411 Ca 0.05 0.90 0.25 0.00 -0.52 0.00 0.00 52.55 53.23 1uoo s ASP 411 Cb -0.13 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.71 1uoo s ASP 411 CO -0.04 -1.03 1.66 0.18 0.52 0.00 0.00 175.17 176.46 1uoo n LEU 412 N 7.29 1.61 0.14 -1.34 4.77 -0.63 -3.41 117.00 125.44 1uoo n LEU 412 Ca 0.12 -0.59 0.13 0.00 -0.03 0.00 0.00 56.01 55.64 1uoo n LEU 412 Cb 0.48 -0.04 0.29 0.00 -2.33 0.00 0.00 43.42 41.81 1uoo n LEU 412 CO 0.64 0.30 0.79 0.71 -1.33 0.00 0.00 177.39 178.50 1uoo h THR 413 N 2.36 0.00 -3.77 -5.08 1.35 -1.91 -3.46 112.91 102.39 1uoo h THR 413 Ca 0.00 -0.68 -0.49 0.00 -0.55 0.00 0.00 66.41 64.69 1uoo h THR 413 Cb 0.51 1.64 -0.02 0.00 -1.73 0.00 0.00 68.15 68.54 1uoo h THR 413 CO 0.00 0.00 0.36 -0.54 -0.25 0.00 0.00 175.52 175.09 1uoo s LYS 414 N -3.15 4.81 0.18 4.72 -0.14 -1.22 -4.97 119.74 119.96 1uoo s LYS 414 Ca 0.09 1.49 -0.13 0.00 -1.36 0.00 0.00 55.97 56.05 1uoo s LYS 414 Cb 0.10 -3.21 0.12 0.00 -1.68 0.00 0.00 37.83 33.15 1uoo s LYS 414 CO 0.64 0.47 1.79 0.93 -0.76 0.00 0.00 175.35 178.42 1uoo h GLU 415 N 4.00 0.51 -4.91 1.68 4.39 -1.91 -3.38 114.58 114.95 1uoo h GLU 415 Ca -0.45 -0.03 -0.67 0.00 0.34 0.00 0.00 59.36 58.55 1uoo h GLU 415 Cb 1.20 -0.11 -0.28 0.00 -0.10 0.00 0.00 28.75 29.46 1uoo h GLU 415 CO 0.68 0.34 -0.69 -1.21 -1.16 0.00 0.00 179.01 176.96 1uoo s GLU 416 N -6.14 3.19 -0.78 2.33 0.41 -1.26 -5.05 118.70 111.41 1uoo s GLU 416 Ca -0.13 -0.76 -0.26 0.00 -0.41 0.00 0.00 54.97 53.41 1uoo s GLU 416 Cb 0.13 -3.14 0.03 0.00 -1.78 0.00 0.00 34.13 29.37 1uoo s GLU 416 CO 0.73 -0.32 1.37 -0.51 -0.49 0.00 0.00 175.26 176.05 1uoo s LEU 417 N 1.46 3.22 -0.52 1.80 1.43 -1.26 -4.97 118.68 119.85 1uoo s LEU 417 Ca 0.04 -0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 52.42 1uoo s LEU 417 Cb -0.16 -2.56 0.08 0.00 0.03 0.00 0.00 46.19 43.58 1uoo s LEU 417 CO -0.01 -1.86 0.56 -1.61 0.23 0.00 0.00 176.35 173.66 1uoo s GLU 418 N 5.77 3.05 -0.04 1.70 0.41 -1.26 -5.06 118.70 123.26 1uoo s GLU 418 Ca 0.40 -1.20 -0.26 0.00 -0.41 0.00 0.00 54.97 53.51 1uoo s GLU 418 Cb -0.07 -4.16 -0.03 0.00 -1.78 0.00 0.00 34.13 28.08 1uoo s GLU 418 CO 0.11 -1.24 0.81 -1.25 -0.49 0.00 0.00 175.26 173.20 1uoo s PRO 419 N 2.25 4.48 0.22 0.39 0.04 -1.26 -4.38 135.00 136.74 1uoo s PRO 419 Ca 0.10 1.09 0.10 0.00 0.04 0.00 0.00 61.00 62.32 1uoo s PRO 419 Cb -0.23 -3.46 -0.05 0.00 0.04 0.00 0.00 34.50 30.81 1uoo s PRO 419 CO 0.08 0.01 -0.18 -0.98 0.04 0.00 0.00 177.00 175.97 1uoo s ARG 420 N 0.92 1.46 -0.11 4.56 1.70 -0.06 -4.95 118.95 122.47 1uoo s ARG 420 Ca 0.43 -1.61 -0.29 0.00 -0.47 0.00 0.00 55.73 53.79 1uoo s ARG 420 Cb -0.19 -1.48 -0.05 0.00 -0.57 0.00 0.00 34.95 32.66 1uoo s ARG 420 CO 0.22 0.28 1.74 0.08 -1.08 0.00 0.00 175.30 176.54 1uoo s VAL 421 N -2.46 3.47 -0.18 4.99 1.01 -1.26 -0.99 120.40 124.98 1uoo s VAL 421 Ca 0.23 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.78 1uoo s VAL 421 Cb -0.04 -3.42 -0.22 0.00 0.00 0.00 0.00 36.38 32.70 1uoo s VAL 421 CO 0.10 -0.12 0.11 0.33 0.00 0.00 0.00 175.10 175.52 1uoo n PHE 422 N 8.02 0.57 -3.79 5.22 7.35 0.82 -4.88 117.46 130.78 1uoo n PHE 422 Ca 0.19 0.13 -0.13 0.00 -0.76 0.00 0.00 57.45 56.89 1uoo n PHE 422 Cb 0.43 -1.08 -0.12 0.00 0.35 0.00 0.00 39.48 39.07 1uoo n PHE 422 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1uoo s ARG 423 N -2.54 0.29 -0.08 -4.13 6.06 -0.69 -4.99 118.95 112.87 1uoo s ARG 423 Ca -0.25 0.35 -0.08 0.00 -2.50 0.00 0.00 55.73 53.25 1uoo s ARG 423 Cb 0.08 0.14 0.02 0.00 0.06 0.00 0.00 34.95 35.24 1uoo s ARG 423 CO 0.71 -0.04 0.23 -2.00 -2.50 0.00 0.00 175.30 171.70 1uoo s GLU 424 N 0.15 0.29 -0.01 5.12 2.12 -1.26 -0.86 118.70 124.25 1uoo s GLU 424 Ca -0.00 0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.63 1uoo s GLU 424 Cb -0.02 0.14 -0.01 0.00 0.26 0.00 0.00 34.13 34.50 1uoo s GLU 424 CO 0.00 -0.04 -0.11 0.14 -0.54 0.00 0.00 175.26 174.71 1uoo s VAL 425 N 0.01 0.86 -0.11 3.70 -7.23 -1.24 -5.09 120.40 111.30 1uoo s VAL 425 Ca -0.01 -0.49 0.02 0.00 -1.81 0.00 0.00 61.98 59.69 1uoo s VAL 425 Cb -0.02 -0.73 0.01 0.00 0.56 0.00 0.00 36.38 36.21 1uoo s VAL 425 CO 0.00 0.23 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.97 1uoo s THR 426 N -0.28 1.56 -0.40 5.32 2.01 -1.26 -4.35 115.64 118.24 1uoo s THR 426 Ca 0.04 -0.69 -0.29 0.00 0.31 0.00 0.00 61.69 61.06 1uoo s THR 426 Cb -0.04 -1.42 0.02 0.00 0.01 0.00 0.00 72.50 71.07 1uoo s THR 426 CO -0.00 0.45 1.12 -0.69 -0.69 0.00 0.00 174.62 174.80 1uoo s VAL 427 N 0.91 4.34 0.40 3.82 1.01 -1.26 -5.02 120.40 124.61 1uoo s VAL 427 Ca -0.08 1.46 -0.26 0.00 0.00 0.00 0.00 61.98 63.11 1uoo s VAL 427 Cb -0.15 -4.51 -0.08 0.00 0.00 0.00 0.00 36.38 31.64 1uoo s VAL 427 CO -0.01 -0.75 1.23 -0.54 0.00 0.00 0.00 175.10 175.03 1uoo s LYS 428 N 4.08 4.01 0.00 2.72 -0.14 -1.26 -3.10 119.74 126.05 1uoo s LYS 428 Ca 0.47 1.98 0.00 0.00 -1.36 0.00 0.00 55.97 57.06 1uoo s LYS 428 Cb -0.10 -2.71 0.00 0.00 -1.68 0.00 0.00 37.83 33.34 1uoo s LYS 428 CO 0.24 -0.40 0.00 0.41 -0.76 0.00 0.00 175.35 174.84 1uoo n GLY 429 N 0.67 2.46 3.08 -3.33 0.00 -1.26 -4.89 105.19 101.91 1uoo n GLY 429 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1uoo n GLY 429 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1uoo s ILE 430 N -2.32 3.48 -0.67 -0.61 1.10 -1.18 -5.05 121.20 115.96 1uoo s ILE 430 Ca 0.00 -2.81 -0.27 0.00 -0.51 0.00 0.00 60.65 57.06 1uoo s ILE 430 Cb 0.00 -3.31 0.01 0.00 0.15 0.00 0.00 42.46 39.31 1uoo s ILE 430 CO 0.00 -0.83 1.53 -0.62 -2.11 0.00 0.00 174.94 172.92 1uoo s ASP 431 N 0.80 5.79 0.58 4.50 -1.08 -1.26 -4.85 116.67 121.15 1uoo s ASP 431 Ca 0.15 -0.05 0.29 0.00 -0.52 0.00 0.00 52.55 52.42 1uoo s ASP 431 Cb -0.21 -2.55 1.77 0.00 -1.46 0.00 0.00 42.92 40.47 1uoo s ASP 431 CO -0.03 -2.05 2.24 0.00 0.52 0.00 0.00 175.17 175.85 1uoo h ALA 432 N 12.17 1.55 0.00 3.66 0.00 -1.94 -1.52 119.26 133.18 1uoo h ALA 432 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1uoo h ALA 432 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1uoo h ALA 432 CO 1.24 0.01 0.00 0.66 0.00 0.00 0.00 179.25 181.16 1uoo h SER 433 N 0.00 0.00 1.14 0.00 4.64 -1.95 -2.79 113.55 114.59 1uoo h SER 433 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uoo h SER 433 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1uoo h SER 433 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 1uoo n ASP 434 N -2.41 0.48 -4.38 4.97 8.00 -0.57 -4.88 116.55 117.76 1uoo n ASP 434 Ca 0.02 0.56 -0.21 0.00 0.71 0.00 0.00 54.79 55.87 1uoo n ASP 434 Cb 0.26 -0.68 -0.10 0.00 -0.02 0.00 0.00 41.12 40.57 1uoo n ASP 434 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1uoo s TYR 435 N -3.09 1.91 0.07 1.24 2.02 -1.05 -1.05 117.35 117.39 1uoo s TYR 435 Ca 0.10 -0.48 0.03 0.00 -0.37 0.00 0.00 57.07 56.35 1uoo s TYR 435 Cb 0.14 -0.88 -0.03 0.00 -0.40 0.00 0.00 41.96 40.79 1uoo s TYR 435 CO 0.52 0.47 -0.09 1.14 -1.57 0.00 0.00 175.55 176.01 1uoo s GLN 436 N -3.47 0.69 -0.22 -0.62 -2.07 -0.92 -4.84 119.66 108.21 1uoo s GLN 436 Ca 0.24 -0.94 -0.03 0.00 -1.82 0.00 0.00 55.36 52.81 1uoo s GLN 436 Cb -0.03 -0.44 0.00 0.00 -1.09 0.00 0.00 33.01 31.45 1uoo s GLN 436 CO 0.09 0.08 -0.07 0.99 -1.32 0.00 0.00 175.29 175.06 1uoo s THR 437 N -1.82 3.09 0.09 3.63 2.01 -1.26 -2.79 115.64 118.59 1uoo s THR 437 Ca -0.03 -0.68 0.07 0.00 0.31 0.00 0.00 61.69 61.36 1uoo s THR 437 Cb -0.07 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1uoo s THR 437 CO 0.00 0.38 -0.11 0.68 -0.69 0.00 0.00 174.62 174.88 1uoo s VAL 438 N 1.42 3.32 -0.16 3.82 -7.23 -0.41 -4.98 120.40 116.19 1uoo s VAL 438 Ca 0.04 -1.22 -0.01 0.00 -1.81 0.00 0.00 61.98 58.99 1uoo s VAL 438 Cb -0.15 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 1uoo s VAL 438 CO -0.05 0.16 -0.13 -1.58 -0.31 0.00 0.00 175.10 173.19 1uoo s GLN 439 N -2.05 3.30 0.39 4.82 0.74 -1.26 -0.90 119.66 124.69 1uoo s GLN 439 Ca 0.20 -0.71 0.08 0.00 0.05 0.00 0.00 55.36 54.98 1uoo s GLN 439 Cb -0.11 -2.69 -0.07 0.00 1.10 0.00 0.00 33.01 31.24 1uoo s GLN 439 CO 0.12 0.05 -0.03 0.96 -0.55 0.00 0.00 175.29 175.84 1uoo s ILE 440 N 0.76 2.08 -0.23 -2.34 -5.25 -0.50 -4.98 121.20 110.74 1uoo s ILE 440 Ca -0.05 -2.07 -0.00 0.00 -0.99 0.00 0.00 60.65 57.53 1uoo s ILE 440 Cb -0.15 -2.87 0.07 0.00 2.95 0.00 0.00 42.46 42.45 1uoo s ILE 440 CO 0.01 -0.07 -0.01 -0.36 -1.79 0.00 0.00 174.94 172.72 1uoo s PHE 441 N -2.68 1.94 -0.03 1.37 0.08 -1.26 -1.18 117.98 116.23 1uoo s PHE 441 Ca 0.34 -1.52 -0.05 0.00 0.12 0.00 0.00 56.93 55.82 1uoo s PHE 441 Cb 0.07 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 1uoo s PHE 441 CO 0.17 -0.74 0.21 1.52 -0.10 0.00 0.00 175.22 176.28 1uoo s TYR 442 N 1.55 3.58 0.04 0.36 -0.85 -0.36 -4.77 117.35 116.89 1uoo s TYR 442 Ca -0.02 0.50 -0.30 0.00 -0.52 0.00 0.00 57.07 56.72 1uoo s TYR 442 Cb -0.18 -1.93 -0.04 0.00 0.38 0.00 0.00 41.96 40.19 1uoo s TYR 442 CO -0.09 0.66 1.07 -1.25 -1.52 0.00 0.00 175.55 174.42 1uoo s PRO 443 N -1.62 4.52 0.83 -3.49 0.04 -1.26 -0.28 135.00 133.74 1uoo s PRO 443 Ca 0.24 1.57 -0.10 0.00 0.04 0.00 0.00 61.00 62.75 1uoo s PRO 443 Cb -0.13 -3.40 0.14 0.00 0.04 0.00 0.00 34.50 31.15 1uoo s PRO 443 CO 0.14 -0.11 1.16 0.45 0.04 0.00 0.00 177.00 178.69 1uoo s SER 444 N 0.91 3.93 0.29 6.66 0.15 0.14 -4.89 113.70 120.90 1uoo s SER 444 Ca 0.54 0.23 0.02 0.00 0.70 0.00 0.00 55.95 57.44 1uoo s SER 444 Cb -0.25 -0.53 0.73 0.00 -1.71 0.00 0.00 66.02 64.26 1uoo s SER 444 CO 0.29 -2.19 1.61 0.50 1.20 0.00 0.00 173.24 174.66 1uoo h LYS 445 N -1.09 0.11 -0.31 5.44 3.64 -1.88 0.67 116.57 123.15 1uoo h LYS 445 Ca -0.43 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1uoo h LYS 445 Cb 1.27 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1uoo h LYS 445 CO 0.47 0.07 0.00 -0.40 -2.27 0.00 0.00 179.45 177.32 1uoo n ASP 446 N -5.34 1.94 0.00 4.20 5.68 -1.26 -4.91 116.55 116.86 1uoo n ASP 446 Ca 0.22 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 1uoo n ASP 446 Cb 0.72 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1uoo n ASP 446 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uoo n GLY 447 N 1.12 0.68 3.75 6.12 0.00 0.23 -5.05 105.19 112.03 1uoo n GLY 447 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1uoo n GLY 447 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uoo s THR 448 N -2.23 2.55 -0.21 2.61 2.01 -1.26 -4.56 115.64 114.56 1uoo s THR 448 Ca 0.00 0.46 -0.24 0.00 0.31 0.00 0.00 61.69 62.23 1uoo s THR 448 Cb 0.00 -3.30 -0.01 0.00 0.01 0.00 0.00 72.50 69.20 1uoo s THR 448 CO 0.00 0.07 0.77 -0.54 -0.69 0.00 0.00 174.62 174.24 1uoo s LYS 449 N -0.37 4.22 -0.13 4.92 -0.14 -1.26 0.25 119.74 127.22 1uoo s LYS 449 Ca 0.60 0.87 -0.02 0.00 -1.36 0.00 0.00 55.97 56.06 1uoo s LYS 449 Cb -0.43 -3.61 -0.03 0.00 -1.68 0.00 0.00 37.83 32.09 1uoo s LYS 449 CO 0.44 -0.39 -0.05 0.42 -0.76 0.00 0.00 175.35 175.01 1uoo s ILE 450 N 2.38 3.76 0.25 2.17 -1.09 0.61 -4.90 121.20 124.39 1uoo s ILE 450 Ca 0.34 -0.42 -0.30 0.00 -2.23 0.00 0.00 60.65 58.05 1uoo s ILE 450 Cb -0.16 -2.62 -0.09 0.00 -1.58 0.00 0.00 42.46 38.01 1uoo s ILE 450 CO 0.10 0.52 1.14 -2.84 -1.23 0.00 0.00 174.94 172.63 1uoo s PRO 451 N 0.09 4.58 -0.03 2.79 0.02 -1.26 -1.22 135.00 139.96 1uoo s PRO 451 Ca -0.01 1.83 -0.01 0.00 0.02 0.00 0.00 61.00 62.83 1uoo s PRO 451 Cb -0.14 -3.21 0.03 0.00 0.02 0.00 0.00 34.50 31.20 1uoo s PRO 451 CO 0.03 0.10 0.07 1.41 -0.33 0.00 0.00 177.00 178.27 1uoo s MET 452 N -1.02 0.02 -0.08 5.54 1.75 -0.32 -0.39 119.30 124.80 1uoo s MET 452 Ca 0.47 0.21 -0.16 0.00 -1.25 0.00 0.00 55.69 54.96 1uoo s MET 452 Cb -0.32 -0.16 -0.05 0.00 2.84 0.00 0.00 34.83 37.14 1uoo s MET 452 CO 0.40 -0.12 0.41 -0.06 -0.65 0.00 0.00 175.02 175.00 1uoo s PHE 453 N 0.82 3.59 -0.11 4.11 0.08 0.16 -1.41 117.98 125.23 1uoo s PHE 453 Ca -0.07 0.88 0.02 0.00 0.12 0.00 0.00 56.93 57.88 1uoo s PHE 453 Cb -0.09 -2.40 0.01 0.00 -0.57 0.00 0.00 43.02 39.97 1uoo s PHE 453 CO -0.03 0.38 -0.17 0.42 -0.10 0.00 0.00 175.22 175.72 1uoo s ILE 454 N -0.11 1.62 -0.17 0.64 1.01 -0.08 -1.27 121.20 122.84 1uoo s ILE 454 Ca 0.23 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.16 1uoo s ILE 454 Cb -0.15 -1.46 0.01 0.00 0.01 0.00 0.00 42.46 40.86 1uoo s ILE 454 CO 0.10 0.47 -0.18 -0.69 0.00 0.00 0.00 174.94 174.64 1uoo s VAL 455 N 0.87 2.29 0.19 2.92 1.01 -0.23 -1.29 120.40 126.16 1uoo s VAL 455 Ca -0.08 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 1uoo s VAL 455 Cb -0.15 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 1uoo s VAL 455 CO -0.00 0.53 0.30 -1.38 0.00 0.00 0.00 175.10 174.55 1uoo s HIS 456 N 1.10 0.54 0.29 5.22 -3.43 -1.12 -1.38 115.29 116.50 1uoo s HIS 456 Ca -0.00 -0.88 -0.29 0.00 -0.80 0.00 0.00 55.06 53.09 1uoo s HIS 456 Cb -0.14 -0.09 -0.10 0.00 -1.43 0.00 0.00 32.58 30.81 1uoo s HIS 456 CO -0.07 -0.77 1.44 0.21 -2.00 0.00 0.00 174.74 173.55 1uoo s LYS 457 N -4.02 4.25 0.27 -0.38 2.36 -1.26 -2.16 119.74 118.80 1uoo s LYS 457 Ca 0.23 2.36 -0.30 0.00 -2.55 0.00 0.00 55.97 55.70 1uoo s LYS 457 Cb 0.03 -3.07 -0.11 0.00 -1.05 0.00 0.00 37.83 33.63 1uoo s LYS 457 CO 0.05 -0.41 1.53 0.15 1.55 0.00 0.00 175.35 178.22 1uoo s LYS 458 N -0.95 4.18 0.00 4.03 1.02 -0.22 -3.42 119.74 124.39 1uoo s LYS 458 Ca 0.57 2.46 0.00 0.00 0.02 0.00 0.00 55.97 59.01 1uoo s LYS 458 Cb -0.43 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 1uoo s LYS 458 CO 0.49 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 1uoo n GLY 459 N 2.27 0.74 3.76 -3.33 0.00 -1.26 -5.01 105.19 102.35 1uoo n GLY 459 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1uoo n GLY 459 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uoo s ILE 460 N -2.36 2.67 -0.16 -0.61 -4.36 -1.22 -4.99 121.20 110.16 1uoo s ILE 460 Ca 0.00 0.44 -0.23 0.00 -0.26 0.00 0.00 60.65 60.60 1uoo s ILE 460 Cb 0.00 -3.19 -0.02 0.00 1.25 0.00 0.00 42.46 40.49 1uoo s ILE 460 CO 0.00 -0.06 0.73 -0.54 0.24 0.00 0.00 174.94 175.30 1uoo s LYS 461 N -3.16 4.30 -1.53 0.37 1.02 -1.26 -4.97 119.74 114.51 1uoo s LYS 461 Ca 0.74 0.84 -0.12 0.00 0.02 0.00 0.00 55.97 57.45 1uoo s LYS 461 Cb -0.31 -3.55 -0.01 0.00 -0.52 0.00 0.00 37.83 33.44 1uoo s LYS 461 CO 0.35 -0.21 2.54 1.28 -0.92 0.00 0.00 175.35 178.39 1uoo n LEU 462 N 4.84 7.68 -0.84 3.17 4.77 -1.26 -4.50 117.00 130.85 1uoo n LEU 462 Ca 0.01 -4.24 0.07 0.00 -0.03 0.00 0.00 56.01 51.82 1uoo n LEU 462 Cb 0.50 -1.62 0.20 0.00 -2.33 0.00 0.00 43.42 40.17 1uoo n LEU 462 CO 0.46 1.52 0.67 -0.90 -1.33 0.00 0.00 177.39 177.81 1uoo n ASP 463 N 5.01 3.21 -0.51 -1.43 5.68 -1.03 -4.45 116.55 123.03 1uoo n ASP 463 Ca 0.63 -1.99 -0.06 0.00 -0.50 0.00 0.00 54.79 52.87 1uoo n ASP 463 Cb 0.32 -0.30 -0.02 0.00 -1.14 0.00 0.00 41.12 39.98 1uoo n ASP 463 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uoo n GLY 464 N 0.85 0.64 0.01 6.12 0.00 0.10 -4.93 105.19 107.97 1uoo n GLY 464 Ca 0.15 -0.75 0.10 0.00 0.00 0.00 0.00 46.02 45.52 1uoo n GLY 464 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uoo n SER 465 N 1.01 0.68 -4.79 1.61 3.41 -1.26 -3.09 113.62 111.19 1uoo n SER 465 Ca -0.06 -0.64 -0.39 0.00 -0.26 0.00 0.00 58.87 57.52 1uoo n SER 465 Cb 0.29 1.24 -0.06 0.00 -0.26 0.00 0.00 64.21 65.42 1uoo n SER 465 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1uoo s HIS 466 N -3.16 3.86 0.40 7.33 3.76 -1.25 -4.97 115.29 121.25 1uoo s HIS 466 Ca 0.03 1.45 -0.25 0.00 -0.15 0.00 0.00 55.06 56.14 1uoo s HIS 466 Cb 0.15 -2.63 -0.08 0.00 1.11 0.00 0.00 32.58 31.13 1uoo s HIS 466 CO 0.87 0.55 1.20 -1.25 -0.85 0.00 0.00 174.74 175.26 1uoo s PRO 467 N -1.14 4.04 0.05 8.40 0.04 -1.26 -4.31 135.00 140.83 1uoo s PRO 467 Ca 0.32 1.92 0.05 0.00 0.04 0.00 0.00 61.00 63.34 1uoo s PRO 467 Cb -0.21 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 1uoo s PRO 467 CO 0.23 -0.35 -0.15 0.00 0.04 0.00 0.00 177.00 176.76 1uoo s ALA 468 N -1.37 1.29 -0.30 8.56 0.00 -0.35 -0.26 121.76 129.33 1uoo s ALA 468 Ca 0.57 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1uoo s ALA 468 Cb -0.33 -0.18 0.09 0.00 0.00 0.00 0.00 23.12 22.70 1uoo s ALA 468 CO 0.41 0.24 0.01 0.12 0.00 0.00 0.00 175.76 176.54 1uoo s PHE 469 N -0.98 3.07 -0.24 0.00 2.19 0.58 -0.10 117.98 122.50 1uoo s PHE 469 Ca 0.02 -2.45 -0.08 0.00 0.33 0.00 0.00 56.93 54.76 1uoo s PHE 469 Cb -0.09 -2.31 -0.03 0.00 -1.31 0.00 0.00 43.02 39.28 1uoo s PHE 469 CO 0.02 -0.89 0.08 -1.17 1.83 0.00 0.00 175.22 175.08 1uoo s LEU 470 N 1.15 3.54 -0.01 6.12 2.96 0.16 -0.38 118.68 132.22 1uoo s LEU 470 Ca 0.05 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1uoo s LEU 470 Cb -0.19 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 1uoo s LEU 470 CO -0.10 0.00 -0.03 -0.47 -1.32 0.00 0.00 176.35 174.43 1uoo s TYR 471 N 1.41 3.00 0.16 5.38 5.04 0.16 -1.38 117.35 131.11 1uoo s TYR 471 Ca 0.05 0.04 -0.19 0.00 -2.44 0.00 0.00 57.07 54.54 1uoo s TYR 471 Cb -0.15 -1.65 0.04 0.00 0.35 0.00 0.00 41.96 40.55 1uoo s TYR 471 CO 0.04 0.42 0.50 0.20 -1.34 0.00 0.00 175.55 175.37 1uoo s GLY 472 N -1.41 -0.31 0.00 8.97 0.00 -1.05 -1.90 107.32 111.61 1uoo s GLY 472 Ca 0.18 0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.94 1uoo s GLY 472 CO 0.08 -0.15 0.00 2.98 0.00 0.00 0.00 173.10 176.01 1uoo n TYR 473 N -0.31 0.00 -2.02 1.90 9.36 -1.26 -4.42 117.16 120.41 1uoo n TYR 473 Ca -0.14 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.07 1uoo n TYR 473 Cb 0.64 0.09 0.00 0.00 -0.63 0.00 0.00 39.34 39.44 1uoo n TYR 473 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1uoo n GLY 474 N 2.37 -0.71 0.00 2.98 0.00 -1.26 -4.21 105.19 104.36 1uoo n GLY 474 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1uoo n GLY 474 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uoo n GLY 475 N -1.01 1.50 2.39 -0.02 0.00 -1.14 -4.64 105.19 102.27 1uoo n GLY 475 Ca 0.01 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 1uoo n GLY 475 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1uoo n PHE 476 N -0.49 -0.69 -1.73 1.61 3.72 -1.11 -1.95 117.46 116.82 1uoo n PHE 476 Ca 0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.24 1uoo n PHE 476 Cb 0.00 -3.33 -0.05 0.00 -0.94 0.00 0.00 39.48 35.16 1uoo n PHE 476 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1uoo n ASN 477 N -1.50 -4.95 -4.71 4.37 5.15 -0.92 -4.93 115.26 107.77 1uoo n ASN 477 Ca -0.19 0.28 -0.38 0.00 -0.60 0.00 0.00 54.58 53.68 1uoo n ASN 477 Cb 0.62 -3.95 -0.06 0.00 -0.53 0.00 0.00 39.78 35.87 1uoo n ASN 477 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1uoo s ILE 478 N -2.67 5.14 -0.28 -1.44 -1.09 -0.82 -3.33 121.20 116.71 1uoo s ILE 478 Ca 0.00 1.04 -0.12 0.00 -2.23 0.00 0.00 60.65 59.33 1uoo s ILE 478 Cb 0.00 -3.86 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 1uoo s ILE 478 CO 0.00 0.28 0.24 -0.44 -1.23 0.00 0.00 174.94 173.79 1uoo s SER 479 N 0.78 6.09 -0.93 3.58 0.01 -1.26 -2.67 113.70 119.30 1uoo s SER 479 Ca 0.27 0.08 -0.20 0.00 1.31 0.00 0.00 55.95 57.42 1uoo s SER 479 Cb -0.16 -2.15 0.11 0.00 0.21 0.00 0.00 66.02 64.04 1uoo s SER 479 CO 0.11 -0.09 1.17 -0.63 0.41 0.00 0.00 173.24 174.22 1uoo s ILE 480 N 1.85 4.55 0.27 1.44 -1.09 -1.26 -5.00 121.20 121.96 1uoo s ILE 480 Ca 0.09 -1.34 0.04 0.00 -2.23 0.00 0.00 60.65 57.22 1uoo s ILE 480 Cb -0.16 -4.82 -0.03 0.00 -1.58 0.00 0.00 42.46 35.87 1uoo s ILE 480 CO 0.11 -1.58 0.40 0.42 -1.23 0.00 0.00 174.94 173.06 1uoo s THR 481 N 3.20 5.11 0.24 2.92 -4.23 -1.26 -4.90 115.64 116.72 1uoo s THR 481 Ca 0.34 -0.90 -0.31 0.00 -1.18 0.00 0.00 61.69 59.64 1uoo s THR 481 Cb -0.05 -3.81 -0.14 0.00 1.34 0.00 0.00 72.50 69.84 1uoo s THR 481 CO -0.08 -0.35 1.26 -2.65 -0.54 0.00 0.00 174.62 172.25 1uoo n PRO 482 N -1.50 1.66 -3.80 3.99 -0.02 -1.26 -5.00 135.00 129.06 1uoo n PRO 482 Ca -0.07 0.59 -0.12 0.00 -2.02 0.00 0.00 63.50 61.87 1uoo n PRO 482 Cb 0.57 -2.14 -0.09 0.00 -0.02 0.00 0.00 33.50 31.81 1uoo n PRO 482 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1uoo s ASN 483 N 0.01 -0.12 -0.39 2.55 2.47 -1.26 -4.12 114.94 114.08 1uoo s ASN 483 Ca 0.67 0.01 -0.26 0.00 0.42 0.00 0.00 52.86 53.70 1uoo s ASN 483 Cb -0.71 0.29 0.02 0.00 -1.45 0.00 0.00 41.25 39.40 1uoo s ASN 483 CO 0.53 -0.40 0.95 -0.47 -3.72 0.00 0.00 177.10 174.00 1uoo s TYR 484 N -1.25 3.04 -0.30 0.43 5.04 -0.95 -3.77 117.35 119.59 1uoo s TYR 484 Ca -0.13 0.73 0.01 0.00 -2.44 0.00 0.00 57.07 55.24 1uoo s TYR 484 Cb -0.06 -3.77 0.09 0.00 0.35 0.00 0.00 41.96 38.57 1uoo s TYR 484 CO 0.03 -0.90 0.04 0.45 -1.34 0.00 0.00 175.55 173.82 1uoo s SER 485 N 1.97 4.20 0.23 4.32 0.15 -1.26 -4.98 113.70 118.32 1uoo s SER 485 Ca 0.39 -1.66 -0.08 0.00 0.70 0.00 0.00 55.95 55.30 1uoo s SER 485 Cb -0.11 -1.21 0.22 0.00 -1.71 0.00 0.00 66.02 63.21 1uoo s SER 485 CO 0.21 -0.35 1.89 0.58 1.20 0.00 0.00 173.24 176.76 1uoo h VAL 486 N 6.58 1.17 -0.60 4.45 2.07 -1.94 -1.90 116.25 126.09 1uoo h VAL 486 Ca -0.12 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 67.12 1uoo h VAL 486 Cb 1.04 -0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 1uoo h VAL 486 CO 0.47 0.20 0.23 0.77 0.02 0.00 0.00 177.57 179.25 1uoo h SER 487 N 1.09 0.23 0.95 0.57 4.64 -1.96 0.06 113.55 119.12 1uoo h SER 487 Ca 0.32 0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 61.60 1uoo h SER 487 Cb -0.06 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 1uoo h SER 487 CO -0.09 0.14 -0.52 0.03 -0.87 0.00 0.00 176.83 175.52 1uoo h ARG 488 N 0.41 0.00 -0.05 4.77 3.08 -1.92 -3.12 114.38 117.56 1uoo h ARG 488 Ca 0.30 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.15 1uoo h ARG 488 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1uoo h ARG 488 CO -0.29 0.52 -0.82 -0.07 -1.07 0.00 0.00 179.97 178.24 1uoo h LEU 489 N 0.00 0.52 -1.16 3.04 3.38 -0.52 -2.87 115.31 117.70 1uoo h LEU 489 Ca -0.01 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1uoo h LEU 489 Cb 1.13 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1uoo h LEU 489 CO 0.07 1.14 0.53 0.40 0.09 0.00 0.00 178.44 180.67 1uoo h ILE 490 N 0.27 1.22 -0.94 1.22 2.04 -1.00 0.63 117.51 120.94 1uoo h ILE 490 Ca -0.05 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.44 1uoo h ILE 490 Cb 1.42 0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 1uoo h ILE 490 CO 0.14 0.21 0.61 0.15 0.00 0.00 0.00 178.15 179.27 1uoo h PHE 491 N 1.12 1.13 0.04 1.37 3.57 -1.46 0.40 116.94 123.11 1uoo h PHE 491 Ca 0.30 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.83 1uoo h PHE 491 Cb -0.11 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.26 1uoo h PHE 491 CO 0.00 0.64 -0.02 0.28 -2.23 0.00 0.00 178.31 176.98 1uoo h VAL 492 N 1.15 1.31 0.01 1.41 2.07 -1.12 -0.40 116.25 120.68 1uoo h VAL 492 Ca 0.38 -1.27 -0.22 0.00 0.82 0.00 0.00 66.70 66.41 1uoo h VAL 492 Cb 0.05 2.14 0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1uoo h VAL 492 CO -0.12 0.31 -0.86 -0.09 0.02 0.00 0.00 177.57 176.83 1uoo h ARG 493 N -0.63 0.56 -0.01 1.57 9.65 -0.74 -2.57 114.38 122.21 1uoo h ARG 493 Ca -0.01 -0.62 0.00 0.00 -1.10 0.00 0.00 59.98 58.25 1uoo h ARG 493 Cb 0.56 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.32 1uoo h ARG 493 CO 0.01 1.23 -0.13 0.72 2.80 0.00 0.00 179.97 184.60 1uoo n HIS 494 N -4.02 0.00 -0.48 2.20 8.25 0.14 -4.34 115.22 116.97 1uoo n HIS 494 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1uoo n HIS 494 Cb 0.80 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.91 1uoo n HIS 494 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1uoo n MET 495 N 0.21 0.57 -1.88 -0.41 2.81 -1.06 -0.45 117.12 116.91 1uoo n MET 495 Ca 0.06 -0.66 -0.15 0.00 -1.81 0.00 0.00 57.70 55.14 1uoo n MET 495 Cb 0.28 -0.76 -0.04 0.00 -0.71 0.00 0.00 33.22 31.99 1uoo n MET 495 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1uoo n GLY 496 N -0.14 0.61 3.88 3.03 0.00 -0.98 -4.81 105.19 106.78 1uoo n GLY 496 Ca 0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1uoo n GLY 496 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uoo s GLY 497 N -2.57 2.00 -0.17 -0.02 0.00 -0.18 -4.38 107.32 102.00 1uoo s GLY 497 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 44.72 44.39 1uoo s GLY 497 CO 0.00 -0.06 0.16 0.14 0.00 0.00 0.00 173.10 173.34 1uoo s VAL 498 N -2.25 5.42 -0.11 1.40 1.01 0.65 -4.18 120.40 122.35 1uoo s VAL 498 Ca 0.50 0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.70 1uoo s VAL 498 Cb -0.10 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1uoo s VAL 498 CO 0.29 0.49 0.00 -0.22 0.00 0.00 0.00 175.10 175.66 1uoo s LEU 499 N -0.08 3.56 -0.01 3.92 2.96 -0.48 -0.31 118.68 128.24 1uoo s LEU 499 Ca 0.11 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1uoo s LEU 499 Cb -0.12 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.75 1uoo s LEU 499 CO 0.01 0.32 0.03 0.00 -1.32 0.00 0.00 176.35 175.39 1uoo s ALA 500 N -0.52 -0.05 -0.14 5.97 0.00 0.49 -1.07 121.76 126.44 1uoo s ALA 500 Ca 0.09 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 1uoo s ALA 500 Cb -0.12 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 22.94 1uoo s ALA 500 CO 0.02 -0.03 -0.06 0.08 0.00 0.00 0.00 175.76 175.77 1uoo s VAL 501 N 0.24 1.02 -0.23 0.00 1.01 -0.40 0.39 120.40 122.43 1uoo s VAL 501 Ca -0.02 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 1uoo s VAL 501 Cb -0.03 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1uoo s VAL 501 CO -0.01 0.24 0.11 0.00 0.00 0.00 0.00 175.10 175.44 1uoo s ALA 502 N 1.69 3.42 -1.36 5.51 0.00 -0.80 -0.66 121.76 129.56 1uoo s ALA 502 Ca 0.03 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 1uoo s ALA 502 Cb -0.14 -2.17 0.11 0.00 0.00 0.00 0.00 23.12 20.92 1uoo s ALA 502 CO -0.08 -0.23 2.23 0.09 0.00 0.00 0.00 175.76 177.77 1uoo n ASN 503 N 4.38 6.53 -4.75 0.00 4.13 0.48 -4.59 115.26 121.44 1uoo n ASN 503 Ca -0.16 -3.03 -0.31 0.00 1.68 0.00 0.00 54.58 52.76 1uoo n ASN 503 Cb 0.52 -1.46 0.10 0.00 -1.54 0.00 0.00 39.78 37.40 1uoo n ASN 503 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1uoo s ILE 504 N 0.28 3.13 0.78 2.41 -4.36 -1.26 -4.43 121.20 117.74 1uoo s ILE 504 Ca 0.49 0.39 -0.14 0.00 -0.26 0.00 0.00 60.65 61.13 1uoo s ILE 504 Cb 0.14 -2.82 0.06 0.00 1.25 0.00 0.00 42.46 41.10 1uoo s ILE 504 CO -0.05 -0.46 1.21 -0.13 0.24 0.00 0.00 174.94 175.75 1uoo s ARG 505 N -4.76 1.83 0.00 0.37 0.52 -1.26 -3.38 118.95 112.27 1uoo s ARG 505 Ca 0.63 1.77 0.00 0.00 -0.52 0.00 0.00 55.73 57.61 1uoo s ARG 505 Cb -0.19 -1.80 0.00 0.00 0.52 0.00 0.00 34.95 33.49 1uoo s ARG 505 CO 0.54 -2.07 0.00 0.41 0.02 0.00 0.00 175.30 174.20 1uoo n GLY 506 N 0.47 2.21 1.91 -3.53 0.00 -0.01 -4.34 105.19 101.89 1uoo n GLY 506 Ca 0.14 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1uoo n GLY 506 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uoo n GLY 507 N 0.00 -1.61 0.98 -0.02 0.00 -1.22 -2.16 105.19 101.16 1uoo n GLY 507 Ca 0.00 -1.64 0.08 0.00 0.00 0.00 0.00 46.02 44.46 1uoo n GLY 507 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uoo n GLY 508 N 0.22 3.45 0.30 -0.02 0.00 -1.09 -1.88 105.19 106.17 1uoo n GLY 508 Ca 0.08 -0.82 0.02 0.00 0.00 0.00 0.00 46.02 45.30 1uoo n GLY 508 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1uoo h GLU 509 N 2.30 0.80 -1.25 1.61 3.07 -1.88 -2.15 114.58 117.08 1uoo h GLU 509 Ca 0.00 -0.05 -0.58 0.00 -0.50 0.00 0.00 59.36 58.23 1uoo h GLU 509 Cb 1.28 -0.18 -0.42 0.00 -0.84 0.00 0.00 28.75 28.59 1uoo h GLU 509 CO 0.18 0.53 -0.73 0.66 -1.40 0.00 0.00 179.01 178.25 1uoo n TYR 510 N -4.72 3.17 -4.03 4.33 4.01 -1.26 -4.71 117.16 113.95 1uoo n TYR 510 Ca 0.13 -2.79 0.00 0.00 -0.16 0.00 0.00 57.90 55.08 1uoo n TYR 510 Cb 0.24 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 1uoo n TYR 510 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1uoo n GLY 511 N -0.57 -1.73 0.19 2.72 0.00 -0.81 -3.64 105.19 101.36 1uoo n GLY 511 Ca 0.41 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 45.12 1uoo n GLY 511 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1uoo h GLU 512 N 0.00 0.00 0.00 1.61 4.57 -1.57 -2.18 114.58 117.01 1uoo h GLU 512 Ca 0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 1uoo h GLU 512 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1uoo h GLU 512 CO 0.00 0.36 -0.42 1.79 -1.18 0.00 0.00 179.01 179.56 1uoo h THR 513 N 0.00 1.19 -0.23 0.32 1.35 -1.83 0.14 112.91 113.85 1uoo h THR 513 Ca -0.00 -1.47 -0.13 0.00 -0.55 0.00 0.00 66.41 64.25 1uoo h THR 513 Cb 0.72 1.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1uoo h THR 513 CO 0.05 0.41 -0.36 -0.25 -0.25 0.00 0.00 175.52 175.11 1uoo h TRP 514 N 0.00 0.82 -0.08 4.73 2.91 -1.48 -2.36 115.95 120.50 1uoo h TRP 514 Ca -0.00 -0.28 0.01 0.00 1.13 0.00 0.00 58.89 59.75 1uoo h TRP 514 Cb 0.79 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.26 1uoo h TRP 514 CO 0.00 1.03 -0.01 1.25 -1.03 0.00 0.00 178.44 179.69 1uoo h HIS 515 N 0.37 -0.01 0.00 2.65 2.76 -0.82 0.09 115.15 120.18 1uoo h HIS 515 Ca 0.02 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1uoo h HIS 515 Cb 0.95 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.92 1uoo h HIS 515 CO 0.08 -0.02 -0.10 0.87 -1.30 0.00 0.00 177.93 177.46 1uoo h LYS 516 N 0.02 0.00 0.00 5.26 1.57 -0.75 -2.65 116.57 120.03 1uoo h LYS 516 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1uoo h LYS 516 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1uoo h LYS 516 CO -0.06 0.10 0.00 0.78 -0.57 0.00 0.00 179.45 179.70 1uoo h GLY 517 N 0.67 0.00 -4.97 3.86 0.00 -1.11 -3.24 103.07 98.28 1uoo h GLY 517 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.98 1uoo h GLY 517 CO 0.01 0.00 -1.05 0.61 0.00 0.00 0.00 176.54 176.11 1uoo n GLY 518 N -0.34 2.87 3.16 4.60 0.00 -1.00 -4.65 105.19 109.83 1uoo n GLY 518 Ca 0.01 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 1uoo n GLY 518 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uoo s ILE 519 N -3.94 0.28 0.00 -0.61 -4.36 -1.22 -4.41 121.20 106.95 1uoo s ILE 519 Ca 0.33 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 1uoo s ILE 519 Cb 0.37 -1.93 0.00 0.00 1.25 0.00 0.00 42.46 42.14 1uoo s ILE 519 CO -0.02 -0.60 0.00 0.18 0.24 0.00 0.00 174.94 174.74 1uoo n LEU 520 N -0.08 0.00 0.25 0.37 4.77 0.14 -0.47 117.00 121.98 1uoo n LEU 520 Ca -0.08 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1uoo n LEU 520 Cb 0.63 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 42.36 1uoo n LEU 520 CO 0.31 0.00 0.91 0.00 -1.33 0.00 0.00 177.39 177.28 1uoo h ALA 521 N -0.90 1.17 -0.32 -1.18 0.00 -1.90 -2.99 119.26 113.14 1uoo h ALA 521 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1uoo h ALA 521 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1uoo h ALA 521 CO 0.00 0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.53 1uoo n ASN 522 N -3.53 2.35 -0.23 0.00 3.02 0.38 -4.44 115.26 112.82 1uoo n ASN 522 Ca -0.01 -1.87 0.14 0.00 -0.03 0.00 0.00 54.58 52.81 1uoo n ASN 522 Cb 0.31 -0.21 0.44 0.00 -0.61 0.00 0.00 39.78 39.71 1uoo n ASN 522 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1uoo h LYS 523 N 2.90 0.54 -0.17 3.52 1.63 -1.37 -0.50 116.57 123.12 1uoo h LYS 523 Ca 0.00 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.82 1uoo h LYS 523 Cb 0.65 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1uoo h LYS 523 CO 0.00 0.35 0.14 0.37 -3.45 0.00 0.00 179.45 176.87 1uoo h GLN 524 N 0.55 0.00 -0.99 1.90 5.75 -1.86 -1.25 115.11 119.21 1uoo h GLN 524 Ca 0.42 0.00 0.16 0.00 -0.15 0.00 0.00 58.65 59.09 1uoo h GLN 524 Cb 0.83 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 29.29 1uoo h GLN 524 CO -0.17 0.00 0.62 -0.91 -2.65 0.00 0.00 178.83 175.72 1uoo h ASN 525 N 0.00 0.81 -0.18 -0.69 2.35 -1.35 -0.57 115.58 115.96 1uoo h ASN 525 Ca 0.08 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1uoo h ASN 525 Cb 0.36 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1uoo h ASN 525 CO -0.00 0.35 -0.03 0.00 -1.65 0.00 0.00 177.43 176.11 1uoo h PHE 527 N 0.02 1.08 -0.29 0.00 0.04 -1.49 -1.05 116.94 115.25 1uoo h PHE 527 Ca 0.09 -0.23 -0.00 0.00 2.80 0.00 0.00 57.97 60.62 1uoo h PHE 527 Cb 0.12 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 1uoo h PHE 527 CO -0.19 1.03 0.17 -0.44 -0.60 0.00 0.00 178.31 178.28 1uoo h ASP 528 N 0.85 0.36 -0.53 2.17 3.32 -0.87 -0.85 116.42 120.88 1uoo h ASP 528 Ca 0.13 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1uoo h ASP 528 Cb 0.70 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1uoo h ASP 528 CO 0.05 0.33 0.33 0.44 -1.72 0.00 0.00 179.24 178.68 1uoo h ASP 529 N 0.37 0.55 -0.39 6.45 3.32 -0.35 -1.46 116.42 124.91 1uoo h ASP 529 Ca 0.10 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 1uoo h ASP 529 Cb 0.04 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1uoo h ASP 529 CO -0.02 0.40 -0.30 0.15 -1.72 0.00 0.00 179.24 177.75 1uoo h PHE 530 N 0.67 1.08 -0.51 4.55 3.57 -1.05 -1.56 116.94 123.68 1uoo h PHE 530 Ca 0.20 -0.29 -0.07 0.00 3.53 0.00 0.00 57.97 61.34 1uoo h PHE 530 Cb -0.03 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 1uoo h PHE 530 CO -0.05 1.10 0.02 1.96 -2.23 0.00 0.00 178.31 179.10 1uoo h GLN 531 N 0.78 0.85 -0.11 1.11 4.20 -1.05 -2.30 115.11 118.59 1uoo h GLN 531 Ca 0.08 -0.23 -0.11 0.00 0.06 0.00 0.00 58.65 58.45 1uoo h GLN 531 Cb 0.87 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1uoo h GLN 531 CO 0.08 0.84 -0.43 0.00 -0.67 0.00 0.00 178.83 178.64 1uoo h ALA 533 N 1.35 0.23 -0.35 0.00 0.00 -1.03 -1.21 119.26 118.24 1uoo h ALA 533 Ca 0.02 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1uoo h ALA 533 Cb 0.85 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1uoo h ALA 533 CO 0.07 -0.26 0.08 0.00 0.00 0.00 0.00 179.25 179.14 1uoo h ALA 534 N 1.02 0.38 -0.59 0.00 0.00 -1.11 -1.99 119.26 116.97 1uoo h ALA 534 Ca 0.07 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1uoo h ALA 534 Cb 0.02 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1uoo h ALA 534 CO -0.01 -0.32 0.15 0.93 0.00 0.00 0.00 179.25 180.00 1uoo h GLU 535 N 0.21 0.92 -0.27 0.00 5.08 -1.16 -2.23 114.58 117.12 1uoo h GLU 535 Ca 0.16 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1uoo h GLU 535 Cb 0.18 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1uoo h GLU 535 CO -0.21 0.81 0.13 -0.92 -1.00 0.00 0.00 179.01 177.83 1uoo h TYR 536 N 0.88 0.39 -0.14 4.33 5.03 -0.91 0.26 116.97 126.81 1uoo h TYR 536 Ca 0.19 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 1uoo h TYR 536 Cb 0.30 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.45 1uoo h TYR 536 CO 0.02 0.35 0.00 -0.07 -1.32 0.00 0.00 178.16 177.15 1uoo h LEU 537 N 0.31 0.17 0.00 2.82 3.38 -1.11 -0.07 115.31 120.81 1uoo h LEU 537 Ca 0.09 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1uoo h LEU 537 Cb 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1uoo h LEU 537 CO -0.01 0.21 -0.13 0.40 0.09 0.00 0.00 178.44 178.99 1uoo h ILE 538 N 0.19 1.61 -0.80 1.22 2.04 -1.02 0.14 117.51 120.88 1uoo h ILE 538 Ca 0.05 -1.96 -0.03 0.00 1.00 0.00 0.00 64.86 63.91 1uoo h ILE 538 Cb 0.13 2.90 -0.04 0.00 -0.74 0.00 0.00 36.82 39.07 1uoo h ILE 538 CO 0.00 0.52 0.37 0.50 0.00 0.00 0.00 178.15 179.55 1uoo h LYS 539 N -0.67 1.17 0.00 2.37 3.64 -0.27 -2.01 116.57 120.80 1uoo h LYS 539 Ca -0.02 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1uoo h LYS 539 Cb 0.93 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1uoo h LYS 539 CO 0.03 0.91 0.00 0.39 -2.27 0.00 0.00 179.45 178.51 1uoo n GLU 540 N -4.33 0.29 -1.27 1.90 -0.58 -0.06 -4.91 120.64 111.68 1uoo n GLU 540 Ca 0.07 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1uoo n GLU 540 Cb 0.15 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 1uoo n GLU 540 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uoo n GLY 541 N 1.10 0.46 0.14 0.62 0.00 -0.76 -4.83 105.19 101.93 1uoo n GLY 541 Ca 0.11 -0.94 -0.04 0.00 0.00 0.00 0.00 46.02 45.16 1uoo n GLY 541 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1uoo h TYR 542 N 0.00 0.15 -2.93 1.61 0.05 -0.96 0.29 116.97 115.17 1uoo h TYR 542 Ca 0.00 -0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.73 1uoo h TYR 542 Cb 0.35 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.06 1uoo h TYR 542 CO 0.00 0.74 0.32 -0.08 -1.05 0.00 0.00 178.16 178.09 1uoo s THR 543 N -3.57 0.00 0.23 -2.88 -1.32 -0.99 -3.88 115.64 103.23 1uoo s THR 543 Ca -0.02 -0.94 0.09 0.00 -1.21 0.00 0.00 61.69 59.60 1uoo s THR 543 Cb 0.12 -2.87 -0.05 0.00 -1.51 0.00 0.00 72.50 68.19 1uoo s THR 543 CO 0.79 0.00 -0.16 -0.44 -2.21 0.00 0.00 174.62 172.60 1uoo s SER 544 N -3.12 2.84 0.29 8.08 0.01 -1.18 -4.22 113.70 116.41 1uoo s SER 544 Ca 0.16 -1.03 0.01 0.00 1.31 0.00 0.00 55.95 56.41 1uoo s SER 544 Cb -0.05 -0.18 0.55 0.00 0.21 0.00 0.00 66.02 66.55 1uoo s SER 544 CO 0.10 -0.12 1.86 -0.65 0.41 0.00 0.00 173.24 174.85 1uoo h PRO 545 N 2.48 0.98 0.00 12.44 0.11 -1.89 -0.55 132.00 145.56 1uoo h PRO 545 Ca -0.39 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1uoo h PRO 545 Cb 1.23 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1uoo h PRO 545 CO 0.62 0.65 0.00 0.36 -0.21 0.00 0.00 178.00 179.41 1uoo n LYS 546 N -4.56 0.12 -0.04 1.05 2.85 -1.26 -0.25 118.16 116.06 1uoo n LYS 546 Ca 0.17 0.30 0.07 0.00 -1.05 0.00 0.00 58.31 57.80 1uoo n LYS 546 Cb 0.30 -1.71 0.08 0.00 -0.65 0.00 0.00 35.03 33.06 1uoo n LYS 546 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1uoo n ARG 547 N -1.93 1.27 -3.65 -1.58 1.74 -0.26 -4.49 116.66 107.75 1uoo n ARG 547 Ca 0.03 -1.48 -0.36 0.00 -0.77 0.00 0.00 57.85 55.27 1uoo n ARG 547 Cb 0.24 -1.27 -0.09 0.00 -1.02 0.00 0.00 32.46 30.32 1uoo n ARG 547 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1uoo s LEU 548 N -1.11 4.15 -0.14 0.55 2.96 -0.94 -1.22 118.68 122.94 1uoo s LEU 548 Ca 0.18 0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 54.26 1uoo s LEU 548 Cb 0.12 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1uoo s LEU 548 CO 0.17 0.09 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.36 1uoo s THR 549 N 0.83 3.81 0.04 3.68 2.01 0.86 -1.15 115.64 125.71 1uoo s THR 549 Ca 0.09 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.74 1uoo s THR 549 Cb -0.13 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 1uoo s THR 549 CO 0.03 0.52 -0.06 0.27 -0.69 0.00 0.00 174.62 174.68 1uoo s ILE 550 N 0.14 3.65 -0.03 1.82 -4.36 -0.58 -0.66 121.20 121.17 1uoo s ILE 550 Ca -0.02 -0.90 -0.06 0.00 -0.26 0.00 0.00 60.65 59.41 1uoo s ILE 550 Cb -0.14 -2.63 0.01 0.00 1.25 0.00 0.00 42.46 40.95 1uoo s ILE 550 CO 0.03 0.30 0.14 0.21 0.24 0.00 0.00 174.94 175.86 1uoo s ASN 551 N -1.70 -0.08 -0.07 4.36 3.04 -0.48 -1.11 114.94 118.89 1uoo s ASN 551 Ca 0.19 0.10 -0.29 0.00 0.04 0.00 0.00 52.86 52.90 1uoo s ASN 551 Cb -0.11 0.27 0.11 0.00 -1.54 0.00 0.00 41.25 39.97 1uoo s ASN 551 CO 0.10 -0.17 0.88 -0.83 -3.04 0.00 0.00 177.10 174.04 1uoo s GLY 552 N -0.48 -0.41 -0.07 1.21 0.00 -1.18 -2.53 107.32 103.86 1uoo s GLY 552 Ca -0.06 1.48 0.05 0.00 0.00 0.00 0.00 44.72 46.20 1uoo s GLY 552 CO 0.01 0.74 -0.24 -0.32 0.00 0.00 0.00 173.10 173.29 1uoo s GLY 553 N -1.66 1.29 0.00 0.20 0.00 -1.26 -1.72 107.32 104.17 1uoo s GLY 553 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1uoo s GLY 553 CO -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 173.10 172.55 1uoo n ALA 554 N 3.13 0.00 0.23 3.20 0.00 0.43 -0.75 120.51 126.75 1uoo n ALA 554 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.32 1uoo n ALA 554 Cb 0.52 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.52 1uoo n ALA 554 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1uoo h ASN 555 N 0.00 0.00 1.45 0.00 -1.24 -1.90 -1.58 115.58 112.31 1uoo h ASN 555 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 1uoo h ASN 555 Cb 0.00 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 1uoo h ASN 555 CO 0.00 0.16 -0.24 1.23 -1.29 0.00 0.00 177.43 177.29 1uoo h GLY 556 N 0.53 0.00 0.95 1.57 0.00 -1.11 -2.18 103.07 102.84 1uoo h GLY 556 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1uoo h GLY 556 CO 0.02 0.00 -0.33 -1.33 0.00 0.00 0.00 176.54 174.90 1uoo h GLY 557 N 3.13 0.72 0.61 4.60 0.00 -1.29 -2.24 103.07 108.60 1uoo h GLY 557 Ca -0.00 -0.79 0.09 0.00 0.00 0.00 0.00 47.33 46.63 1uoo h GLY 557 CO 0.03 0.71 0.62 -2.00 0.00 0.00 0.00 176.54 175.90 1uoo h LEU 558 N 0.38 0.95 0.48 3.11 5.85 -1.27 -2.23 115.31 122.58 1uoo h LEU 558 Ca 0.03 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1uoo h LEU 558 Cb 0.92 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1uoo h LEU 558 CO 0.08 0.56 -0.28 0.25 -0.34 0.00 0.00 178.44 178.70 1uoo h LEU 559 N 1.05 -0.71 -0.72 2.25 5.85 -1.06 -1.90 115.31 120.08 1uoo h LEU 559 Ca 0.45 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 59.09 1uoo h LEU 559 Cb 0.31 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1uoo h LEU 559 CO -0.22 -0.46 -0.59 -0.37 -0.34 0.00 0.00 178.44 176.47 1uoo h VAL 560 N -0.73 1.32 -0.31 1.05 -1.51 -1.36 -2.01 116.25 112.70 1uoo h VAL 560 Ca -0.06 -2.09 -0.17 0.00 -1.23 0.00 0.00 66.70 63.15 1uoo h VAL 560 Cb 0.59 2.16 -0.00 0.00 -2.13 0.00 0.00 31.29 31.91 1uoo h VAL 560 CO 0.07 0.58 -0.46 0.00 -1.23 0.00 0.00 177.57 176.52 1uoo h ALA 561 N 1.41 0.48 -0.30 5.19 0.00 -1.40 -1.28 119.26 123.35 1uoo h ALA 561 Ca -0.01 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1uoo h ALA 561 Cb 1.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1uoo h ALA 561 CO 0.08 0.63 -0.02 1.15 0.00 0.00 0.00 179.25 181.09 1uoo h THR 562 N 0.65 1.26 -0.01 0.00 2.02 -1.26 -2.30 112.91 113.27 1uoo h THR 562 Ca 0.03 -0.99 -0.03 0.00 0.77 0.00 0.00 66.41 66.20 1uoo h THR 562 Cb 1.06 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1uoo h THR 562 CO 0.11 0.32 -0.14 0.00 0.37 0.00 0.00 175.52 176.17 1uoo h ALA 564 N 1.85 0.27 -0.54 0.00 0.00 -1.04 0.71 119.26 120.52 1uoo h ALA 564 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1uoo h ALA 564 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1uoo h ALA 564 CO 0.02 -0.06 0.26 -0.91 0.00 0.00 0.00 179.25 178.56 1uoo h ASN 565 N 0.14 0.70 0.43 0.00 2.35 -0.83 -2.78 115.58 115.60 1uoo h ASN 565 Ca 0.06 -0.13 -0.31 0.00 -0.55 0.00 0.00 56.30 55.38 1uoo h ASN 565 Cb 0.31 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.51 1uoo h ASN 565 CO 0.00 0.63 -1.45 1.56 -1.65 0.00 0.00 177.43 176.52 1uoo h GLN 566 N 0.72 0.35 -2.04 0.81 4.20 -0.93 -3.40 115.11 114.82 1uoo h GLN 566 Ca 0.18 -0.60 -0.56 0.00 0.06 0.00 0.00 58.65 57.74 1uoo h GLN 566 Cb 0.11 0.22 -0.40 0.00 0.30 0.00 0.00 27.48 27.72 1uoo h GLN 566 CO -0.02 1.26 -1.01 0.54 -0.67 0.00 0.00 178.83 178.92 1uoo n ARG 567 N -3.56 1.10 0.24 1.46 5.12 0.24 -4.95 116.66 116.31 1uoo n ARG 567 Ca -0.15 -3.53 0.07 0.00 -1.93 0.00 0.00 57.85 52.32 1uoo n ARG 567 Cb 1.06 -1.45 0.59 0.00 -1.16 0.00 0.00 32.46 31.50 1uoo n ARG 567 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1uoo h PRO 568 N 3.97 0.00 0.00 5.56 0.13 -1.64 -2.50 132.00 137.52 1uoo h PRO 568 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1uoo h PRO 568 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1uoo h PRO 568 CO 0.54 0.10 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 1uoo n ASP 569 N -4.36 0.23 0.01 1.44 5.75 -1.26 -3.37 116.55 114.99 1uoo n ASP 569 Ca -0.03 0.57 0.11 0.00 -0.01 0.00 0.00 54.79 55.44 1uoo n ASP 569 Cb 0.17 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 39.61 1uoo n ASP 569 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1uoo n LEU 570 N -1.77 0.62 -4.03 -2.12 7.94 -0.94 -4.86 117.00 111.83 1uoo n LEU 570 Ca 0.02 -0.14 -0.17 0.00 -1.11 0.00 0.00 56.01 54.60 1uoo n LEU 570 Cb 0.13 -0.06 -0.14 0.00 0.53 0.00 0.00 43.42 43.88 1uoo n LEU 570 CO 0.12 0.09 -0.43 -0.36 -1.11 0.00 0.00 177.39 175.70 1uoo s PHE 571 N -3.19 0.77 -0.03 1.96 0.08 -1.22 -4.53 117.98 111.83 1uoo s PHE 571 Ca 0.03 -0.21 0.11 0.00 0.12 0.00 0.00 56.93 56.99 1uoo s PHE 571 Cb 0.15 -0.49 -0.23 0.00 -0.57 0.00 0.00 43.02 41.88 1uoo s PHE 571 CO 0.83 -0.01 0.73 0.78 -0.10 0.00 0.00 175.22 177.45 1uoo h GLY 572 N 5.64 0.02 -5.15 4.36 0.00 0.93 -3.40 103.07 105.46 1uoo h GLY 572 Ca -0.32 -0.04 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 1uoo h GLY 572 CO 0.48 0.04 -0.35 0.00 0.00 0.00 0.00 176.54 176.71 1uoo s VAL 574 N -0.16 0.32 -0.29 0.00 1.01 0.76 -1.53 120.40 120.52 1uoo s VAL 574 Ca -0.03 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1uoo s VAL 574 Cb -0.03 -0.46 0.04 0.00 0.00 0.00 0.00 36.38 35.93 1uoo s VAL 574 CO 0.01 0.23 -0.00 -0.63 0.00 0.00 0.00 175.10 174.71 1uoo s ILE 575 N 1.73 3.08 -0.30 2.22 1.01 -0.27 -1.58 121.20 127.09 1uoo s ILE 575 Ca 0.01 -1.23 -0.07 0.00 0.00 0.00 0.00 60.65 59.36 1uoo s ILE 575 Cb -0.13 -2.70 0.01 0.00 0.01 0.00 0.00 42.46 39.65 1uoo s ILE 575 CO -0.04 -0.02 0.09 0.00 0.00 0.00 0.00 174.94 174.97 1uoo s ALA 576 N 1.30 3.09 -0.13 9.38 0.00 -0.60 -3.12 121.76 131.68 1uoo s ALA 576 Ca -0.03 -1.47 -0.13 0.00 0.00 0.00 0.00 51.96 50.33 1uoo s ALA 576 Cb -0.19 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 1uoo s ALA 576 CO -0.01 -0.96 0.28 -0.65 0.00 0.00 0.00 175.76 174.41 1uoo s GLN 577 N 1.50 4.06 -1.44 0.00 -0.21 -0.70 -1.34 119.66 121.53 1uoo s GLN 577 Ca 0.02 0.10 -0.06 0.00 0.02 0.00 0.00 55.36 55.45 1uoo s GLN 577 Cb -0.17 -3.35 0.06 0.00 1.00 0.00 0.00 33.01 30.54 1uoo s GLN 577 CO 0.03 0.41 0.14 1.33 -2.12 0.00 0.00 175.29 175.08 1uoo n VAL 578 N 2.99 -0.65 -2.76 1.09 0.24 0.19 -0.43 118.33 119.00 1uoo n VAL 578 Ca -0.14 -0.32 -0.33 0.00 -2.04 0.00 0.00 64.34 61.51 1uoo n VAL 578 Cb 0.52 -0.76 -0.06 0.00 -1.47 0.00 0.00 33.84 32.07 1uoo n VAL 578 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1uoo s GLY 579 N -3.89 2.36 -0.55 7.63 0.00 -1.26 -3.28 107.32 108.33 1uoo s GLY 579 Ca 0.20 0.39 -0.23 0.00 0.00 0.00 0.00 44.72 45.07 1uoo s GLY 579 CO 0.89 0.67 0.87 0.14 0.00 0.00 0.00 173.10 175.67 1uoo s VAL 580 N -2.22 4.50 -0.12 1.40 1.01 -0.98 -4.44 120.40 119.54 1uoo s VAL 580 Ca 0.62 0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.78 1uoo s VAL 580 Cb -0.09 -4.49 -0.15 0.00 0.00 0.00 0.00 36.38 31.64 1uoo s VAL 580 CO 0.15 -1.06 0.04 0.23 0.00 0.00 0.00 175.10 174.46 1uoo n MET 581 N 7.18 1.92 -3.27 2.72 2.81 -1.26 -4.16 117.12 123.05 1uoo n MET 581 Ca -0.00 -0.00 -0.47 0.00 -1.81 0.00 0.00 57.70 55.42 1uoo n MET 581 Cb 0.47 -1.32 -0.02 0.00 -0.71 0.00 0.00 33.22 31.64 1uoo n MET 581 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1uoo s ASP 582 N -4.56 6.76 0.11 7.83 -1.08 -1.26 -1.46 116.67 123.01 1uoo s ASP 582 Ca -0.06 -2.62 0.21 0.00 -0.52 0.00 0.00 52.55 49.56 1uoo s ASP 582 Cb 0.04 -2.24 0.86 0.00 -1.46 0.00 0.00 42.92 40.13 1uoo s ASP 582 CO 0.51 -0.63 1.66 0.23 0.52 0.00 0.00 175.17 177.46 1uoo n MET 583 N 4.31 0.10 0.02 4.34 2.81 -1.26 -1.45 117.12 125.98 1uoo n MET 583 Ca 0.16 0.26 -0.12 0.00 -1.81 0.00 0.00 57.70 56.18 1uoo n MET 583 Cb 0.47 -1.66 -0.14 0.00 -0.71 0.00 0.00 33.22 31.19 1uoo n MET 583 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1uoo h LEU 584 N 0.00 0.16 -0.55 4.03 3.38 -1.92 -3.40 115.31 117.02 1uoo h LEU 584 Ca 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1uoo h LEU 584 Cb 0.39 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1uoo h LEU 584 CO 0.00 1.24 -0.28 0.29 0.09 0.00 0.00 178.44 179.78 1uoo n LYS 585 N -3.26 2.54 -0.34 1.13 5.02 -1.13 -4.58 118.16 117.53 1uoo n LYS 585 Ca -0.16 -0.44 0.21 0.00 -2.02 0.00 0.00 58.31 55.89 1uoo n LYS 585 Cb 1.03 -1.05 0.45 0.00 -0.02 0.00 0.00 35.03 35.44 1uoo n LYS 585 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1uoo h PHE 586 N 0.83 0.83 0.00 2.13 -5.15 -1.46 -1.34 116.94 112.78 1uoo h PHE 586 Ca 0.00 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.80 1uoo h PHE 586 Cb 0.32 -0.24 0.00 0.00 0.22 0.00 0.00 35.95 36.25 1uoo h PHE 586 CO 0.00 0.05 0.00 -2.39 -2.00 0.00 0.00 178.31 173.97 1uoo n HIS 587 N -4.76 0.33 0.21 6.09 1.44 -1.26 -3.25 115.22 114.02 1uoo n HIS 587 Ca 0.27 0.12 0.11 0.00 -2.01 0.00 0.00 57.72 56.21 1uoo n HIS 587 Cb 0.83 -0.70 0.16 0.00 0.12 0.00 0.00 29.99 30.40 1uoo n HIS 587 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1uoo h LYS 588 N 0.00 0.00 -6.38 -1.40 1.57 -1.57 -3.10 116.57 105.69 1uoo h LYS 588 Ca 0.00 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.09 1uoo h LYS 588 Cb 0.34 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 32.41 1uoo h LYS 588 CO 0.00 0.03 -0.78 0.71 -0.57 0.00 0.00 179.45 178.83 1uoo s TYR 589 N -3.20 2.65 0.00 -1.35 2.02 -1.20 -4.21 117.35 112.07 1uoo s TYR 589 Ca 0.07 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 1uoo s TYR 589 Cb 0.05 -1.60 0.00 0.00 -0.40 0.00 0.00 41.96 40.02 1uoo s TYR 589 CO 0.68 0.18 0.00 0.25 -1.57 0.00 0.00 175.55 175.08 1uoo n THR 590 N 2.22 0.00 0.67 -0.71 -2.24 0.30 -0.08 114.28 114.44 1uoo n THR 590 Ca -0.17 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1uoo n THR 590 Cb 0.52 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.90 1uoo n THR 590 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uoo n ILE 591 N 0.00 0.23 -0.37 2.28 0.13 -1.26 -0.52 119.36 119.85 1uoo n ILE 591 Ca 0.00 -0.62 0.37 0.00 -1.10 0.00 0.00 62.75 61.41 1uoo n ILE 591 Cb 0.00 1.26 0.76 0.00 -0.84 0.00 0.00 39.64 40.82 1uoo n ILE 591 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 1uoo h GLY 592 N 4.55 0.03 2.00 4.50 0.00 -0.69 -0.29 103.07 113.17 1uoo h GLY 592 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1uoo h GLY 592 CO 0.00 -0.01 -0.02 1.12 0.00 0.00 0.00 176.54 177.63 1uoo h HIS 593 N 0.01 0.00 0.00 5.60 2.07 -1.73 -2.04 115.15 119.05 1uoo h HIS 593 Ca 0.61 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.13 1uoo h HIS 593 Cb 2.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.42 1uoo h HIS 593 CO -0.00 0.02 0.00 0.00 -3.07 0.00 0.00 177.93 174.88 1uoo h ALA 594 N 1.98 1.00 -0.00 6.11 0.00 -1.38 -3.28 119.26 123.68 1uoo h ALA 594 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uoo h ALA 594 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1uoo h ALA 594 CO 0.00 0.00 -0.11 0.91 0.00 0.00 0.00 179.25 180.05 1uoo n TRP 595 N -2.37 0.00 0.30 0.00 8.01 -0.77 -2.52 117.44 120.09 1uoo n TRP 595 Ca 0.04 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.33 1uoo n TRP 595 Cb 0.36 -0.17 0.48 0.00 -2.01 0.00 0.00 31.31 29.97 1uoo n TRP 595 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 1uoo n THR 596 N -0.92 0.99 0.24 -0.99 -2.24 -1.24 -1.49 114.28 108.62 1uoo n THR 596 Ca 0.14 0.43 0.13 0.00 -2.27 0.00 0.00 64.05 62.48 1uoo n THR 596 Cb 0.28 -1.37 0.40 0.00 -2.10 0.00 0.00 70.33 67.54 1uoo n THR 596 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1uoo h THR 597 N 0.00 0.17 0.02 4.28 1.35 -1.87 0.02 112.91 116.88 1uoo h THR 597 Ca 0.00 -0.94 -0.39 0.00 -0.55 0.00 0.00 66.41 64.53 1uoo h THR 597 Cb 0.21 1.81 -0.06 0.00 -1.73 0.00 0.00 68.15 68.38 1uoo h THR 597 CO 0.00 0.08 -2.35 0.47 -0.25 0.00 0.00 175.52 173.47 1uoo n ASP 598 N -3.16 2.00 -0.09 5.36 9.92 -0.56 -4.74 116.55 125.28 1uoo n ASP 598 Ca 0.02 0.02 -0.14 0.00 -0.53 0.00 0.00 54.79 54.16 1uoo n ASP 598 Cb 0.45 -0.58 -0.14 0.00 -0.64 0.00 0.00 41.12 40.21 1uoo n ASP 598 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1uoo n TYR 599 N -3.49 0.20 -0.24 1.24 4.01 -0.80 0.26 117.16 118.35 1uoo n TYR 599 Ca -0.44 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.36 1uoo n TYR 599 Cb 0.97 -1.03 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 1uoo n TYR 599 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1uoo n GLY 600 N 1.93 -3.38 2.86 2.72 0.00 -0.01 -4.49 105.19 104.83 1uoo n GLY 600 Ca -0.36 -1.94 -0.17 0.00 0.00 0.00 0.00 46.02 43.55 1uoo n GLY 600 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uoo n SER 602 N 3.88 0.20 0.13 0.00 3.41 -1.26 -1.82 113.62 118.15 1uoo n SER 602 Ca -0.24 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.03 1uoo n SER 602 Cb 0.52 -0.61 0.56 0.00 -0.26 0.00 0.00 64.21 64.42 1uoo n SER 602 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1uoo h ASP 603 N 0.00 0.18 -2.97 4.04 3.32 -1.96 -3.42 116.42 115.61 1uoo h ASP 603 Ca 0.00 -0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1uoo h ASP 603 Cb 0.09 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.53 1uoo h ASP 603 CO 0.00 0.13 -0.26 -0.55 -1.72 0.00 0.00 179.24 176.84 1uoo s SER 604 N -6.81 6.70 0.14 6.45 0.15 -0.76 -5.01 113.70 114.56 1uoo s SER 604 Ca -0.06 0.83 -0.15 0.00 0.70 0.00 0.00 55.95 57.27 1uoo s SER 604 Cb 0.18 -2.21 0.01 0.00 -1.71 0.00 0.00 66.02 62.28 1uoo s SER 604 CO 0.70 0.32 1.68 0.50 1.20 0.00 0.00 173.24 177.63 1uoo h LYS 605 N 4.96 0.65 -0.21 5.44 3.64 -1.87 -0.59 116.57 128.59 1uoo h LYS 605 Ca -0.51 -0.13 0.05 0.00 -1.27 0.00 0.00 60.65 58.79 1uoo h LYS 605 Cb 1.22 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 1uoo h LYS 605 CO 0.62 0.61 -0.08 0.37 -2.27 0.00 0.00 179.45 178.70 1uoo h GLN 606 N 0.55 -0.05 -0.48 1.90 4.15 -1.95 -1.65 115.11 117.59 1uoo h GLN 606 Ca 0.14 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.50 1uoo h GLN 606 Cb 0.22 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1uoo h GLN 606 CO -0.01 -0.03 0.03 0.45 -1.93 0.00 0.00 178.83 177.34 1uoo h HIS 607 N -0.05 0.89 -0.87 3.99 3.86 -1.76 -2.52 115.15 118.68 1uoo h HIS 607 Ca 0.11 -0.14 0.10 0.00 -1.16 0.00 0.00 60.37 59.28 1uoo h HIS 607 Cb 0.22 -0.24 -0.06 0.00 1.06 0.00 0.00 27.41 28.39 1uoo h HIS 607 CO -0.25 0.84 0.56 0.35 0.86 0.00 0.00 177.93 180.29 1uoo h PHE 608 N 0.68 0.90 -0.30 2.45 3.57 -0.87 -0.71 116.94 122.67 1uoo h PHE 608 Ca 0.14 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 1uoo h PHE 608 Cb 0.47 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1uoo h PHE 608 CO 0.03 0.41 -0.10 0.93 -2.23 0.00 0.00 178.31 177.36 1uoo h GLU 609 N 0.83 0.49 0.21 1.11 4.39 -0.87 -1.38 114.58 119.36 1uoo h GLU 609 Ca 0.41 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 1uoo h GLU 609 Cb 0.44 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1uoo h GLU 609 CO -0.17 0.59 -0.10 -1.49 -1.16 0.00 0.00 179.01 176.68 1uoo h TRP 610 N 0.46 -0.26 -0.51 4.33 6.55 -1.11 -3.36 115.95 122.05 1uoo h TRP 610 Ca 0.09 -0.01 -0.07 0.00 0.95 0.00 0.00 58.89 59.85 1uoo h TRP 610 Cb 0.46 0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 28.82 1uoo h TRP 610 CO 0.01 0.07 0.04 -0.07 -1.05 0.00 0.00 178.44 177.44 1uoo h LEU 611 N -0.60 0.84 -2.01 -4.49 3.38 -0.86 -2.80 115.31 108.77 1uoo h LEU 611 Ca -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1uoo h LEU 611 Cb 0.44 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1uoo h LEU 611 CO 0.05 0.92 -0.04 -0.29 0.09 0.00 0.00 178.44 179.16 1uoo h ILE 612 N 0.74 0.91 0.00 1.22 6.09 -1.44 0.11 117.51 125.15 1uoo h ILE 612 Ca 0.15 -0.16 -0.04 0.00 -1.37 0.00 0.00 64.86 63.44 1uoo h ILE 612 Cb 0.46 1.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.83 1uoo h ILE 612 CO 0.02 0.04 -0.21 0.11 -3.07 0.00 0.00 178.15 175.04 1uoo h LYS 613 N 0.00 0.00 0.00 2.19 1.57 -1.64 -3.36 116.57 115.32 1uoo h LYS 613 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1uoo h LYS 613 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1uoo h LYS 613 CO 0.01 0.21 -0.41 2.48 -0.57 0.00 0.00 179.45 181.17 1uoo n TYR 614 N -3.41 0.00 -1.46 -1.35 0.18 -0.98 -5.02 117.16 105.12 1uoo n TYR 614 Ca -0.00 0.00 -0.60 0.00 1.88 0.00 0.00 57.90 59.18 1uoo n TYR 614 Cb 0.40 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.26 1uoo n TYR 614 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1uoo n SER 615 N -0.74 1.34 -0.27 9.48 2.88 0.36 -4.75 113.62 121.93 1uoo n SER 615 Ca 0.00 0.80 0.06 0.00 -1.33 0.00 0.00 58.87 58.40 1uoo n SER 615 Cb 0.00 -1.00 0.20 0.00 -0.75 0.00 0.00 64.21 62.66 1uoo n SER 615 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1uoo h PRO 616 N 8.50 0.48 -0.12 -1.46 0.11 -1.87 -1.30 132.00 136.34 1uoo h PRO 616 Ca -0.26 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1uoo h PRO 616 Cb 1.38 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1uoo h PRO 616 CO 1.03 0.31 0.01 1.25 -0.21 0.00 0.00 178.00 180.40 1uoo h LEU 617 N 0.49 0.15 -2.98 2.35 5.85 -1.57 -2.97 115.31 116.62 1uoo h LEU 617 Ca 0.43 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.14 1uoo h LEU 617 Cb 0.65 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1uoo h LEU 617 CO -0.40 0.18 0.00 1.41 -0.34 0.00 0.00 178.44 179.29 1uoo n HIS 618 N -4.44 0.88 -1.77 1.25 -0.00 -0.52 -4.38 115.22 106.24 1uoo n HIS 618 Ca -0.01 -0.59 0.04 0.00 -0.00 0.00 0.00 57.72 57.16 1uoo n HIS 618 Cb 0.14 -0.12 0.06 0.00 -0.00 0.00 0.00 29.99 30.07 1uoo n HIS 618 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1uoo n ASN 619 N 0.71 0.94 -4.63 0.41 3.02 -0.99 -4.97 115.26 109.76 1uoo n ASN 619 Ca 0.19 -2.46 -0.43 0.00 -0.03 0.00 0.00 54.58 51.85 1uoo n ASN 619 Cb 0.65 -0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 39.49 1uoo n ASN 619 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uoo s VAL 620 N -1.08 3.90 -0.11 2.41 1.01 -1.24 -4.84 120.40 120.46 1uoo s VAL 620 Ca 0.17 1.01 -0.05 0.00 0.00 0.00 0.00 61.98 63.11 1uoo s VAL 620 Cb 0.16 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.66 1uoo s VAL 620 CO -0.02 -0.40 0.25 -0.75 0.00 0.00 0.00 175.10 174.18 1uoo s LYS 621 N 4.47 0.19 -0.00 2.72 2.20 -1.26 -5.01 119.74 123.05 1uoo s LYS 621 Ca 0.64 0.59 -0.33 0.00 -0.36 0.00 0.00 55.97 56.50 1uoo s LYS 621 Cb -0.21 -0.10 -0.12 0.00 -1.51 0.00 0.00 37.83 35.89 1uoo s LYS 621 CO 0.27 -0.20 1.82 1.28 -0.36 0.00 0.00 175.35 178.16 1uoo n LEU 622 N 4.54 3.51 -4.70 5.43 4.77 -1.26 -4.90 117.00 124.39 1uoo n LEU 622 Ca -0.20 0.99 -0.43 0.00 -0.03 0.00 0.00 56.01 56.34 1uoo n LEU 622 Cb 0.52 -1.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.18 1uoo n LEU 622 CO 0.11 -0.05 1.08 -2.65 -1.33 0.00 0.00 177.39 174.55 1uoo n PRO 623 N 5.97 2.30 0.01 3.23 -0.02 -1.26 -4.91 135.00 140.32 1uoo n PRO 623 Ca 0.21 0.82 -0.11 0.00 -2.02 0.00 0.00 63.50 62.39 1uoo n PRO 623 Cb 0.31 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.23 1uoo n PRO 623 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1uoo h GLU 624 N 4.17 -0.00 -6.88 -0.52 4.39 -1.90 -3.44 114.58 110.40 1uoo h GLU 624 Ca -0.46 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 58.72 1uoo h GLU 624 Cb 1.26 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.97 1uoo h GLU 624 CO 0.75 -0.00 0.63 0.00 -1.16 0.00 0.00 179.01 179.23 1uoo s ALA 625 N -6.19 3.47 0.15 3.43 0.00 -1.26 -4.94 121.76 116.41 1uoo s ALA 625 Ca -0.13 1.24 0.19 0.00 0.00 0.00 0.00 51.96 53.26 1uoo s ALA 625 Cb 0.07 -3.47 0.66 0.00 0.00 0.00 0.00 23.12 20.39 1uoo s ALA 625 CO 0.67 -0.63 1.72 -0.44 0.00 0.00 0.00 175.76 177.08 1uoo h ASP 626 N 3.34 0.00 -0.05 0.00 5.19 -2.03 -3.03 116.42 119.84 1uoo h ASP 626 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1uoo h ASP 626 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1uoo h ASP 626 CO 0.65 0.37 0.00 -0.90 -3.12 0.00 0.00 179.24 176.24 1uoo n ASP 627 N -3.51 1.09 -4.14 6.45 5.75 -1.26 -4.84 116.55 116.09 1uoo n ASP 627 Ca -0.00 -1.46 -0.32 0.00 -0.01 0.00 0.00 54.79 53.00 1uoo n ASP 627 Cb 0.51 -0.03 -0.16 0.00 -1.03 0.00 0.00 41.12 40.41 1uoo n ASP 627 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1uoo s ILE 628 N -1.94 1.95 0.45 2.12 1.01 -1.14 -5.12 121.20 118.53 1uoo s ILE 628 Ca 0.37 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 60.16 1uoo s ILE 628 Cb 0.19 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1uoo s ILE 628 CO 0.31 0.53 0.06 0.00 0.00 0.00 0.00 174.94 175.83 1uoo s GLN 629 N 0.91 2.10 0.41 2.79 -2.07 -1.26 -4.63 119.66 117.91 1uoo s GLN 629 Ca -0.05 -2.16 -0.25 0.00 -1.82 0.00 0.00 55.36 51.07 1uoo s GLN 629 Cb -0.15 -1.69 -0.08 0.00 -1.09 0.00 0.00 33.01 30.00 1uoo s GLN 629 CO -0.03 -0.21 1.22 0.71 -1.32 0.00 0.00 175.29 175.66 1uoo s TYR 630 N -2.76 2.94 1.02 9.60 1.51 -1.26 -4.58 117.35 123.82 1uoo s TYR 630 Ca 0.26 1.50 -0.11 0.00 -1.01 0.00 0.00 57.07 57.70 1uoo s TYR 630 Cb 0.05 -3.50 0.20 0.00 -0.11 0.00 0.00 41.96 38.61 1uoo s TYR 630 CO 0.14 -1.64 1.09 -1.25 -1.11 0.00 0.00 175.55 172.78 1uoo s PRO 631 N -2.33 0.21 0.24 -1.71 0.04 -1.26 -4.64 135.00 125.54 1uoo s PRO 631 Ca 0.58 1.21 -0.31 0.00 0.04 0.00 0.00 61.00 62.53 1uoo s PRO 631 Cb -0.33 -1.66 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 1uoo s PRO 631 CO 0.42 -3.07 1.53 -1.12 0.04 0.00 0.00 177.00 174.80 1uoo s SER 632 N -2.65 6.54 -0.06 6.66 0.01 -0.76 -4.80 113.70 118.64 1uoo s SER 632 Ca 0.67 2.75 0.01 0.00 1.31 0.00 0.00 55.95 60.69 1uoo s SER 632 Cb -0.23 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.40 1uoo s SER 632 CO 0.61 -0.81 -0.08 -0.04 0.41 0.00 0.00 173.24 173.33 1uoo s MET 633 N 0.07 1.26 -0.15 12.44 -1.94 0.16 -0.17 119.30 130.97 1uoo s MET 633 Ca 0.64 -0.24 0.00 0.00 -1.71 0.00 0.00 55.69 54.38 1uoo s MET 633 Cb -0.45 -1.16 0.03 0.00 2.01 0.00 0.00 34.83 35.27 1uoo s MET 633 CO 0.41 -0.06 -0.11 -1.17 -0.01 0.00 0.00 175.02 174.07 1uoo s LEU 634 N 0.92 1.69 -0.18 -0.03 2.96 -0.61 0.12 118.68 123.55 1uoo s LEU 634 Ca -0.10 -0.54 -0.11 0.00 -0.22 0.00 0.00 54.13 53.16 1uoo s LEU 634 Cb -0.15 -1.10 -0.05 0.00 0.50 0.00 0.00 46.19 45.39 1uoo s LEU 634 CO 0.01 -0.10 0.18 -0.76 -1.32 0.00 0.00 176.35 174.36 1uoo s LEU 635 N 1.53 4.24 -0.16 -0.68 1.43 0.62 -1.55 118.68 124.12 1uoo s LEU 635 Ca 0.04 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1uoo s LEU 635 Cb -0.14 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.92 1uoo s LEU 635 CO -0.10 0.19 -0.17 -0.76 0.23 0.00 0.00 176.35 175.74 1uoo s LEU 636 N 0.19 2.36 0.00 1.79 1.43 -0.45 -0.63 118.68 123.38 1uoo s LEU 636 Ca 0.11 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1uoo s LEU 636 Cb -0.12 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.57 1uoo s LEU 636 CO 0.00 0.07 0.45 1.07 0.23 0.00 0.00 176.35 178.18 1uoo n THR 637 N 4.15 0.00 -3.80 5.49 5.66 -0.71 0.55 114.28 125.62 1uoo n THR 637 Ca -0.19 -1.98 -0.11 0.00 -3.05 0.00 0.00 64.05 58.71 1uoo n THR 637 Cb 0.51 1.16 -0.08 0.00 -1.55 0.00 0.00 70.33 70.37 1uoo n THR 637 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1uoo s ALA 638 N -2.95 -0.51 -1.18 1.79 0.00 -1.26 -0.82 121.76 116.82 1uoo s ALA 638 Ca 0.32 -0.16 0.24 0.00 0.00 0.00 0.00 51.96 52.36 1uoo s ALA 638 Cb -0.00 0.32 1.09 0.00 0.00 0.00 0.00 23.12 24.53 1uoo s ALA 638 CO 0.23 -0.40 1.77 -0.40 0.00 0.00 0.00 175.76 176.97 1uoo n ASP 639 N 0.58 0.00 -0.54 0.00 5.75 -0.64 -2.29 116.55 119.41 1uoo n ASP 639 Ca -0.18 0.26 0.09 0.00 -0.01 0.00 0.00 54.79 54.95 1uoo n ASP 639 Cb 0.59 -0.41 0.20 0.00 -1.03 0.00 0.00 41.12 40.48 1uoo n ASP 639 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1uoo n HIS 640 N -1.41 0.54 -2.48 2.11 8.25 -0.81 -4.26 115.22 117.16 1uoo n HIS 640 Ca 0.08 -0.91 -0.39 0.00 -0.26 0.00 0.00 57.72 56.24 1uoo n HIS 640 Cb 0.24 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1uoo n HIS 640 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1uoo s ASP 641 N -2.26 6.21 0.00 0.41 -1.08 -0.97 -3.94 116.67 115.04 1uoo s ASP 641 Ca 0.37 -1.06 0.22 0.00 -0.52 0.00 0.00 52.55 51.55 1uoo s ASP 641 Cb 0.30 -2.56 0.52 0.00 -1.46 0.00 0.00 42.92 39.72 1uoo s ASP 641 CO 0.07 -1.76 1.45 -0.90 0.52 0.00 0.00 175.17 174.54 1uoo n ASP 642 N 9.76 3.15 -0.05 -0.34 5.75 -1.25 -3.49 116.55 130.08 1uoo n ASP 642 Ca 0.27 -1.95 -0.01 0.00 -0.01 0.00 0.00 54.79 53.08 1uoo n ASP 642 Cb 0.50 -0.29 -0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1uoo n ASP 642 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1uoo h ARG 643 N 3.84 0.00 -4.41 0.11 9.65 -1.92 -3.40 114.38 118.24 1uoo h ARG 643 Ca 0.00 0.00 -0.70 0.00 -1.10 0.00 0.00 59.98 58.18 1uoo h ARG 643 Cb 0.86 0.00 -0.33 0.00 -1.39 0.00 0.00 29.97 29.11 1uoo h ARG 643 CO 0.00 0.00 -0.49 0.08 2.80 0.00 0.00 179.97 182.36 1uoo s VAL 644 N -1.71 3.60 0.20 0.20 1.01 -1.26 -4.61 120.40 117.83 1uoo s VAL 644 Ca -0.05 -1.98 -0.32 0.00 0.00 0.00 0.00 61.98 59.63 1uoo s VAL 644 Cb 0.01 -3.43 -0.14 0.00 0.00 0.00 0.00 36.38 32.81 1uoo s VAL 644 CO 0.07 -0.72 1.36 1.33 0.00 0.00 0.00 175.10 177.14 1uoo n VAL 645 N 4.69 0.71 0.32 2.92 0.24 -1.23 -4.79 118.33 121.18 1uoo n VAL 645 Ca -0.04 -0.18 0.20 0.00 -2.04 0.00 0.00 64.34 62.28 1uoo n VAL 645 Cb 0.41 -1.26 1.06 0.00 -1.47 0.00 0.00 33.84 32.58 1uoo n VAL 645 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1uoo h PRO 646 N 4.28 0.00 -0.81 7.34 0.11 -1.83 -2.39 132.00 138.69 1uoo h PRO 646 Ca -0.45 0.00 0.23 0.00 0.11 0.00 0.00 66.00 65.90 1uoo h PRO 646 Cb 1.30 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 1uoo h PRO 646 CO 0.76 0.01 0.58 1.37 -0.21 0.00 0.00 178.00 180.52 1uoo h LEU 647 N 0.00 0.01 -0.06 2.35 8.10 -1.88 -1.03 115.31 122.80 1uoo h LEU 647 Ca -0.00 0.00 0.04 0.00 0.11 0.00 0.00 57.88 58.03 1uoo h LEU 647 Cb 0.09 -0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.25 1uoo h LEU 647 CO 0.00 0.00 -0.31 0.45 -4.11 0.00 0.00 178.44 174.48 1uoo h HIS 648 N 0.01 -0.84 -0.16 0.17 3.86 -1.74 -0.56 115.15 115.90 1uoo h HIS 648 Ca 0.39 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.50 1uoo h HIS 648 Cb 1.54 0.38 -0.01 0.00 1.06 0.00 0.00 27.41 30.38 1uoo h HIS 648 CO -0.00 -0.39 -0.47 0.77 0.86 0.00 0.00 177.93 178.69 1uoo h SER 649 N -0.42 0.44 -0.15 2.45 0.02 -1.43 -2.53 113.55 111.93 1uoo h SER 649 Ca 0.08 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1uoo h SER 649 Cb 0.54 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1uoo h SER 649 CO -0.30 0.85 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.17 1uoo h LEU 650 N 0.33 0.27 -0.76 5.07 3.38 -1.08 -0.59 115.31 121.93 1uoo h LEU 650 Ca 0.02 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 1uoo h LEU 650 Cb 0.96 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1uoo h LEU 650 CO 0.08 0.52 -0.13 0.11 0.09 0.00 0.00 178.44 179.11 1uoo h LYS 651 N 0.01 0.80 0.16 1.13 1.57 -1.17 -2.66 116.57 116.42 1uoo h LYS 651 Ca 0.04 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1uoo h LYS 651 Cb 0.39 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1uoo h LYS 651 CO 0.01 0.89 -0.08 0.35 -0.57 0.00 0.00 179.45 180.05 1uoo h PHE 652 N 0.72 -0.20 -0.83 -1.35 3.57 -1.27 -1.54 116.94 116.03 1uoo h PHE 652 Ca 0.12 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1uoo h PHE 652 Cb 0.63 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 1uoo h PHE 652 CO 0.03 0.04 0.51 0.97 -2.23 0.00 0.00 178.31 177.64 1uoo h ILE 653 N -0.43 1.23 -0.83 1.41 6.09 -1.14 0.98 117.51 124.82 1uoo h ILE 653 Ca -0.02 -0.48 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 1uoo h ILE 653 Cb 0.34 0.04 -0.04 0.00 0.47 0.00 0.00 36.82 37.63 1uoo h ILE 653 CO 0.04 0.24 0.53 0.00 -3.07 0.00 0.00 178.15 175.88 1uoo h ALA 654 N 1.42 1.05 -0.34 0.18 0.00 -1.40 0.34 119.26 120.52 1uoo h ALA 654 Ca 0.30 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1uoo h ALA 654 Cb -0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1uoo h ALA 654 CO -0.06 0.49 -0.19 1.15 0.00 0.00 0.00 179.25 180.64 1uoo h THR 655 N 1.13 1.29 -0.39 0.00 2.02 -0.59 -1.71 112.91 114.66 1uoo h THR 655 Ca 0.30 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 1uoo h THR 655 Cb -0.09 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1uoo h THR 655 CO -0.06 0.43 0.22 -0.07 0.37 0.00 0.00 175.52 176.41 1uoo h LEU 656 N 0.50 0.49 -0.57 2.58 3.38 -0.56 -1.14 115.31 119.99 1uoo h LEU 656 Ca 0.07 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1uoo h LEU 656 Cb 0.73 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1uoo h LEU 656 CO 0.05 0.42 -0.35 1.56 0.09 0.00 0.00 178.44 180.22 1uoo h GLN 657 N 0.51 0.77 0.08 1.13 4.20 -0.91 -0.20 115.11 120.68 1uoo h GLN 657 Ca 0.14 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 1uoo h GLN 657 Cb 0.04 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1uoo h GLN 657 CO -0.02 1.00 -0.04 -0.92 -0.67 0.00 0.00 178.83 178.17 1uoo h TYR 658 N 0.64 -0.10 -0.03 2.96 3.20 -1.26 -1.98 116.97 120.40 1uoo h TYR 658 Ca 0.06 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 1uoo h TYR 658 Cb 0.89 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1uoo h TYR 658 CO 0.05 0.44 -0.25 0.82 -1.64 0.00 0.00 178.16 177.58 1uoo h ILE 659 N -0.74 1.48 0.00 1.81 1.08 -1.27 -3.32 117.51 116.55 1uoo h ILE 659 Ca -0.01 -1.78 -0.44 0.00 -0.39 0.00 0.00 64.86 62.24 1uoo h ILE 659 Cb 0.58 2.53 -0.07 0.00 -3.07 0.00 0.00 36.82 36.79 1uoo h ILE 659 CO 0.02 0.49 -2.53 0.52 -0.69 0.00 0.00 178.15 175.97 1uoo n VAL 660 N -4.51 1.52 0.26 1.67 0.31 -0.23 -4.38 118.33 112.96 1uoo n VAL 660 Ca -0.09 -0.44 0.09 0.00 -0.01 0.00 0.00 64.34 63.89 1uoo n VAL 660 Cb 0.47 -1.74 0.66 0.00 -0.91 0.00 0.00 33.84 32.32 1uoo n VAL 660 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1uoo h GLY 661 N -0.08 0.00 1.83 2.92 0.00 -0.86 -2.38 103.07 104.49 1uoo h GLY 661 Ca -0.67 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.52 1uoo h GLY 661 CO -0.32 0.00 -0.59 3.21 0.00 0.00 0.00 176.54 178.84 1uoo h ARG 662 N 0.00 0.18 -7.02 4.80 3.08 -1.47 -3.46 114.38 110.49 1uoo h ARG 662 Ca 0.01 -0.12 -0.53 0.00 0.07 0.00 0.00 59.98 59.41 1uoo h ARG 662 Cb 0.03 0.02 0.10 0.00 0.08 0.00 0.00 29.97 30.20 1uoo h ARG 662 CO -0.00 0.71 0.57 -1.54 -1.07 0.00 0.00 179.97 178.64 1uoo s SER 663 N -6.89 5.74 0.00 7.04 1.04 -0.90 -4.94 113.70 114.81 1uoo s SER 663 Ca -0.03 2.59 0.29 0.00 0.48 0.00 0.00 55.95 59.28 1uoo s SER 663 Cb 0.12 -2.62 1.20 0.00 0.10 0.00 0.00 66.02 64.82 1uoo s SER 663 CO 0.79 -1.23 1.90 -1.14 0.98 0.00 0.00 173.24 174.53 1uoo n ARG 664 N -0.67 0.00 0.02 4.02 3.00 -1.26 -2.89 116.66 118.88 1uoo n ARG 664 Ca 0.08 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 58.06 1uoo n ARG 664 Cb 0.46 -1.50 0.29 0.00 0.00 0.00 0.00 32.46 31.71 1uoo n ARG 664 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1uoo n LYS 665 N -1.51 0.08 -2.91 -0.14 2.85 -1.26 -4.82 118.16 110.45 1uoo n LYS 665 Ca 0.07 0.03 -0.42 0.00 -1.05 0.00 0.00 58.31 56.93 1uoo n LYS 665 Cb 0.34 -1.55 -0.05 0.00 -0.65 0.00 0.00 35.03 33.12 1uoo n LYS 665 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1uoo s GLN 666 N -3.04 3.70 -0.00 -1.58 2.00 -1.14 -4.83 119.66 114.77 1uoo s GLN 666 Ca 0.10 0.30 0.04 0.00 -2.00 0.00 0.00 55.36 53.80 1uoo s GLN 666 Cb 0.17 -3.84 -0.05 0.00 0.80 0.00 0.00 33.01 30.09 1uoo s GLN 666 CO 0.68 -0.94 0.14 0.09 -0.50 0.00 0.00 175.29 174.75 1uoo n ASN 667 N 6.61 2.00 -4.71 6.67 3.02 -1.26 -4.95 115.26 122.64 1uoo n ASN 667 Ca 0.04 -0.32 -0.42 0.00 -0.03 0.00 0.00 54.58 53.86 1uoo n ASN 667 Cb 0.48 1.09 -0.03 0.00 -0.61 0.00 0.00 39.78 40.71 1uoo n ASN 667 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1uoo s ASN 668 N -1.90 7.10 0.51 6.41 0.01 -1.26 -4.82 114.94 120.98 1uoo s ASN 668 Ca 0.00 1.98 -0.22 0.00 -0.71 0.00 0.00 52.86 53.91 1uoo s ASN 668 Cb 0.03 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 39.05 1uoo s ASN 668 CO 0.17 -0.45 1.22 -2.16 -1.51 0.00 0.00 177.10 174.37 1uoo s PRO 669 N 1.08 3.47 -0.35 -0.60 0.04 -1.26 -4.78 135.00 132.59 1uoo s PRO 669 Ca 0.58 1.89 0.02 0.00 0.04 0.00 0.00 61.00 63.53 1uoo s PRO 669 Cb -0.29 -2.28 0.11 0.00 0.04 0.00 0.00 34.50 32.08 1uoo s PRO 669 CO 0.29 -0.82 0.11 -0.51 0.04 0.00 0.00 177.00 176.10 1uoo s LEU 670 N -3.35 3.30 0.15 -3.56 1.43 -1.26 -0.66 118.68 114.73 1uoo s LEU 670 Ca 0.68 -2.01 0.08 0.00 -1.03 0.00 0.00 54.13 51.85 1uoo s LEU 670 Cb -0.32 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1uoo s LEU 670 CO 0.37 -0.38 -0.17 -0.76 0.23 0.00 0.00 176.35 175.64 1uoo s LEU 671 N 1.12 2.42 0.05 1.79 1.43 0.12 -4.87 118.68 120.73 1uoo s LEU 671 Ca 0.12 -0.84 0.07 0.00 -1.03 0.00 0.00 54.13 52.44 1uoo s LEU 671 Cb -0.19 -0.76 -0.02 0.00 0.03 0.00 0.00 46.19 45.24 1uoo s LEU 671 CO -0.15 -0.06 -0.19 -0.51 0.23 0.00 0.00 176.35 175.68 1uoo s ILE 672 N -2.03 1.51 -0.12 -0.59 2.07 -1.26 -0.27 121.20 120.51 1uoo s ILE 672 Ca 0.13 -1.17 0.02 0.00 -1.41 0.00 0.00 60.65 58.23 1uoo s ILE 672 Cb -0.06 -1.33 0.01 0.00 0.13 0.00 0.00 42.46 41.21 1uoo s ILE 672 CO 0.06 0.13 -0.19 -2.28 -1.91 0.00 0.00 174.94 170.75 1uoo s HIS 673 N -0.84 2.31 -0.31 3.50 5.65 0.19 -4.48 115.29 121.32 1uoo s HIS 673 Ca 0.06 -1.10 -0.06 0.00 0.25 0.00 0.00 55.06 54.21 1uoo s HIS 673 Cb -0.09 -1.60 0.02 0.00 -1.18 0.00 0.00 32.58 29.73 1uoo s HIS 673 CO 0.02 -0.52 0.07 0.08 -0.65 0.00 0.00 174.74 173.74 1uoo s VAL 674 N 0.83 3.75 0.54 0.89 1.01 -1.26 -1.74 120.40 124.44 1uoo s VAL 674 Ca -0.08 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 1uoo s VAL 674 Cb -0.16 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1uoo s VAL 674 CO -0.00 -0.02 0.94 -0.62 0.00 0.00 0.00 175.10 175.40 1uoo s ASP 675 N 1.44 6.37 0.24 3.32 2.15 -0.01 -4.89 116.67 125.29 1uoo s ASP 675 Ca 0.00 1.32 0.06 0.00 0.43 0.00 0.00 52.55 54.37 1uoo s ASP 675 Cb -0.18 -2.42 -0.03 0.00 -0.30 0.00 0.00 42.92 39.99 1uoo s ASP 675 CO 0.02 -0.69 0.27 0.42 -0.17 0.00 0.00 175.17 175.02 1uoo s THR 676 N -2.86 4.84 -1.07 1.71 -4.23 -1.26 -1.62 115.64 111.16 1uoo s THR 676 Ca 0.54 -1.18 -0.03 0.00 -1.18 0.00 0.00 61.69 59.84 1uoo s THR 676 Cb -0.11 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.14 1uoo s THR 676 CO 0.44 -0.32 0.15 0.29 -0.54 0.00 0.00 174.62 174.63 1uoo n LYS 677 N -1.24 -2.66 -4.15 3.99 5.02 -1.26 -4.91 118.16 112.95 1uoo n LYS 677 Ca -0.08 0.54 -0.10 0.00 -2.02 0.00 0.00 58.31 56.65 1uoo n LYS 677 Cb 0.57 -5.17 -0.10 0.00 -0.02 0.00 0.00 35.03 30.31 1uoo n LYS 677 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uoo s ALA 678 N -2.68 0.85 0.00 7.82 0.00 -1.14 -4.41 121.76 122.20 1uoo s ALA 678 Ca 0.11 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1uoo s ALA 678 Cb -0.06 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1uoo s ALA 678 CO 0.14 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1uoo n GLY 679 N -0.07 4.94 0.26 0.00 0.00 -1.19 -1.93 105.19 107.20 1uoo n GLY 679 Ca -0.08 -0.94 0.01 0.00 0.00 0.00 0.00 46.02 45.01 1uoo n GLY 679 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1uoo h HIS 680 N 0.00 0.39 0.00 1.61 2.76 -1.79 -3.42 115.15 114.71 1uoo h HIS 680 Ca 0.00 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1uoo h HIS 680 Cb 0.00 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 28.85 1uoo h HIS 680 CO 0.00 0.45 0.00 0.41 -1.30 0.00 0.00 177.93 177.49 1uoo n GLY 681 N -0.88 2.97 3.71 5.26 0.00 -1.26 -4.95 105.19 110.04 1uoo n GLY 681 Ca 0.00 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1uoo n GLY 681 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uoo s ALA 682 N 0.00 3.77 0.00 4.61 0.00 -1.26 -2.26 121.76 126.62 1uoo s ALA 682 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1uoo s ALA 682 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1uoo s ALA 682 CO 0.00 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.22 1uoo n GLY 683 N 3.91 0.82 3.70 0.00 0.00 -1.26 -4.77 105.19 107.59 1uoo n GLY 683 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1uoo n GLY 683 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uoo s LYS 684 N -0.28 4.15 0.54 1.61 2.20 -0.96 -4.73 119.74 122.28 1uoo s LYS 684 Ca 0.00 2.53 -0.21 0.00 -0.36 0.00 0.00 55.97 57.92 1uoo s LYS 684 Cb 0.00 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1uoo s LYS 684 CO 0.00 -0.79 1.28 -1.25 -0.36 0.00 0.00 175.35 174.23 1uoo s PRO 685 N 2.31 3.23 0.25 4.03 0.04 -1.26 -4.77 135.00 138.83 1uoo s PRO 685 Ca 0.78 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 63.76 1uoo s PRO 685 Cb -0.45 -2.21 0.40 0.00 0.04 0.00 0.00 34.50 32.28 1uoo s PRO 685 CO 0.34 -1.05 1.61 1.15 0.04 0.00 0.00 177.00 179.09 1uoo h THR 686 N 1.40 0.26 -0.68 1.26 2.02 -1.61 -0.31 112.91 115.25 1uoo h THR 686 Ca -0.50 -0.02 0.13 0.00 0.77 0.00 0.00 66.41 66.79 1uoo h THR 686 Cb 1.29 0.21 -0.09 0.00 -1.74 0.00 0.00 68.15 67.82 1uoo h THR 686 CO 0.57 0.01 0.20 0.00 0.37 0.00 0.00 175.52 176.67 1uoo h ALA 687 N 1.76 0.88 -0.05 6.16 0.00 -1.87 -0.53 119.26 125.60 1uoo h ALA 687 Ca 0.41 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 55.32 1uoo h ALA 687 Cb 0.69 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1uoo h ALA 687 CO -0.75 -0.27 -0.56 0.87 0.00 0.00 0.00 179.25 178.55 1uoo h LYS 688 N 0.33 0.14 -0.39 0.00 1.57 -1.44 -1.86 116.57 114.92 1uoo h LYS 688 Ca 0.37 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 1uoo h LYS 688 Cb 0.56 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1uoo h LYS 688 CO -0.42 0.66 0.09 0.28 -0.57 0.00 0.00 179.45 179.49 1uoo h VAL 689 N 0.11 1.23 -0.68 0.50 2.07 -0.47 -1.34 116.25 117.66 1uoo h VAL 689 Ca -0.00 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 1uoo h VAL 689 Cb 1.01 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1uoo h VAL 689 CO 0.08 0.27 0.22 0.40 0.02 0.00 0.00 177.57 178.56 1uoo h ILE 690 N 0.48 1.25 -0.13 4.57 2.04 -1.01 -1.97 117.51 122.74 1uoo h ILE 690 Ca 0.12 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.12 1uoo h ILE 690 Cb 0.32 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1uoo h ILE 690 CO 0.00 0.34 0.07 -0.33 0.00 0.00 0.00 178.15 178.23 1uoo h GLU 691 N 0.99 0.14 0.28 2.37 4.39 -1.21 -2.09 114.58 119.45 1uoo h GLU 691 Ca 0.22 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1uoo h GLU 691 Cb 0.29 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1uoo h GLU 691 CO -0.01 0.10 -0.20 1.49 -1.16 0.00 0.00 179.01 179.23 1uoo h GLU 692 N 0.15 -0.46 -0.13 2.33 4.81 -1.07 -0.74 114.58 119.47 1uoo h GLU 692 Ca 0.05 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1uoo h GLU 692 Cb 0.00 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1uoo h GLU 692 CO -0.03 -0.31 -0.16 -0.39 -0.73 0.00 0.00 179.01 177.40 1uoo h VAL 693 N -0.48 1.18 -0.48 0.32 -1.51 -1.38 -0.95 116.25 112.95 1uoo h VAL 693 Ca -0.02 -0.81 -0.05 0.00 -1.23 0.00 0.00 66.70 64.59 1uoo h VAL 693 Cb 0.41 1.26 -0.02 0.00 -2.13 0.00 0.00 31.29 30.81 1uoo h VAL 693 CO 0.00 0.25 0.12 0.28 -1.23 0.00 0.00 177.57 177.00 1uoo h SER 694 N 0.19 0.73 -0.33 4.19 0.02 -1.12 -2.24 113.55 115.00 1uoo h SER 694 Ca 0.04 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1uoo h SER 694 Cb 0.40 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1uoo h SER 694 CO 0.02 0.77 0.22 0.44 -1.14 0.00 0.00 176.83 177.14 1uoo h ASP 695 N 0.66 0.37 0.13 3.07 3.32 -0.51 -1.12 116.42 122.33 1uoo h ASP 695 Ca 0.15 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1uoo h ASP 695 Cb 0.32 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1uoo h ASP 695 CO 0.00 0.27 -0.11 0.24 -1.72 0.00 0.00 179.24 177.92 1uoo h MET 696 N 0.44 -0.25 0.00 3.56 2.86 -1.07 0.51 114.93 120.98 1uoo h MET 696 Ca 0.12 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1uoo h MET 696 Cb -0.05 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1uoo h MET 696 CO -0.03 -0.16 -0.28 0.74 1.06 0.00 0.00 176.91 178.24 1uoo h PHE 697 N -0.26 0.00 -0.30 -0.22 0.04 -1.43 -1.83 116.94 112.95 1uoo h PHE 697 Ca 0.00 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 1uoo h PHE 697 Cb 0.24 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1uoo h PHE 697 CO -0.11 0.00 -0.40 0.00 -0.60 0.00 0.00 178.31 177.19 1uoo h ALA 698 N 2.24 0.73 -0.24 2.45 0.00 -1.04 -0.90 119.26 122.51 1uoo h ALA 698 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1uoo h ALA 698 Cb 0.88 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1uoo h ALA 698 CO 0.00 0.66 0.08 0.35 0.00 0.00 0.00 179.25 180.34 1uoo h PHE 699 N 0.59 0.38 -0.15 0.00 3.57 -0.54 -2.00 116.94 118.78 1uoo h PHE 699 Ca 0.05 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1uoo h PHE 699 Cb 0.95 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 1uoo h PHE 699 CO 0.05 0.43 0.09 0.82 -2.23 0.00 0.00 178.31 177.46 1uoo h ILE 700 N 0.21 1.09 -0.85 1.41 2.04 -1.35 -1.73 117.51 118.34 1uoo h ILE 700 Ca 0.08 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.72 1uoo h ILE 700 Cb 0.23 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1uoo h ILE 700 CO -0.00 0.08 0.56 0.00 0.00 0.00 0.00 178.15 178.79 1uoo h ALA 701 N 0.99 1.08 -0.08 1.87 0.00 -1.14 -1.00 119.26 120.99 1uoo h ALA 701 Ca 0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1uoo h ALA 701 Cb 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1uoo h ALA 701 CO -0.01 0.46 -0.19 0.00 0.00 0.00 0.00 179.25 179.52 1uoo h ARG 702 N 1.13 0.26 -0.00 0.00 3.08 -1.31 -0.50 114.38 117.05 1uoo h ARG 702 Ca 0.31 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 60.08 1uoo h ARG 702 Cb -0.11 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1uoo h ARG 702 CO -0.08 0.78 -0.51 0.00 -1.07 0.00 0.00 179.97 179.09 1uoo n LEU 704 N -3.93 2.10 -3.44 0.00 4.77 -0.39 -5.00 117.00 111.12 1uoo n LEU 704 Ca -0.01 -0.85 -0.17 0.00 -0.03 0.00 0.00 56.01 54.94 1uoo n LEU 704 Cb 0.53 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.70 1uoo n LEU 704 CO 0.41 0.38 0.10 -3.20 -1.33 0.00 0.00 177.39 173.75 1uoo n ASN 705 N 0.37 -2.11 -4.69 -1.43 2.85 -0.33 -4.98 115.26 104.95 1uoo n ASN 705 Ca 0.09 -0.63 -0.39 0.00 -0.11 0.00 0.00 54.58 53.54 1uoo n ASN 705 Cb 0.43 -5.07 -0.06 0.00 1.24 0.00 0.00 39.78 36.31 1uoo n ASN 705 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1uoo s ILE 706 N -3.38 5.14 0.35 -1.44 1.01 -0.43 -5.04 121.20 117.40 1uoo s ILE 706 Ca 0.01 0.97 -0.27 0.00 0.00 0.00 0.00 60.65 61.37 1uoo s ILE 706 Cb -0.00 -3.84 -0.09 0.00 0.01 0.00 0.00 42.46 38.54 1uoo s ILE 706 CO 0.74 0.24 1.09 -1.81 0.00 0.00 0.00 174.94 175.20 1uoo s ASP 707 N 0.93 6.94 0.16 3.58 1.01 -1.26 -4.86 116.67 123.17 1uoo s ASP 707 Ca 0.25 2.20 -0.30 0.00 0.71 0.00 0.00 52.55 55.41 1uoo s ASP 707 Cb -0.15 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.09 1uoo s ASP 707 CO 0.10 -0.37 1.13 0.86 0.21 0.00 0.00 175.17 177.10 1uoo s TRP 708 N -1.39 3.53 -0.49 4.23 -0.11 -1.26 -4.69 118.94 118.76 1uoo s TRP 708 Ca 0.52 1.52 -0.06 0.00 1.22 0.00 0.00 56.10 59.30 1uoo s TRP 708 Cb -0.28 -3.33 0.13 0.00 -1.50 0.00 0.00 33.47 28.49 1uoo s TRP 708 CO 0.36 -0.82 0.33 0.42 -4.62 0.00 0.00 176.95 172.61 1uoo s ILE 709 N -0.02 3.85 -2.00 5.86 1.01 0.41 -5.02 121.20 125.28 1uoo s ILE 709 Ca 0.51 -2.12 0.04 0.00 0.00 0.00 0.00 60.65 59.09 1uoo s ILE 709 Cb -0.30 -3.56 0.12 0.00 0.01 0.00 0.00 42.46 38.73 1uoo s ILE 709 CO 0.35 -0.77 0.72 -0.81 0.00 0.00 0.00 174.94 174.42