#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iyj s LEU 3 N 0.00 -0.70 -0.02 0.00 0.05 -1.26 -5.13 118.68 111.63 3iyj s LEU 3 Ca 0.00 1.11 -0.32 0.00 0.05 0.00 0.00 54.13 54.97 3iyj s LEU 3 Cb 0.00 2.47 -0.11 0.00 -2.05 0.00 0.00 46.19 46.50 3iyj s LEU 3 CO 0.00 -0.40 1.92 0.79 -0.55 0.00 0.00 176.35 178.11 3iyj n TRP 4 N 1.90 2.43 -3.84 3.48 7.02 -1.26 -4.97 117.44 122.19 3iyj n TRP 4 Ca -0.16 -0.17 -0.00 0.00 -1.02 0.00 0.00 57.50 56.14 3iyj n TRP 4 Cb 0.56 -2.73 -0.00 0.00 -2.42 0.00 0.00 31.31 26.72 3iyj n TRP 4 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 3iyj n GLN 5 N 6.92 1.82 -3.93 -0.99 -0.06 -1.26 -5.14 117.38 114.74 3iyj n GLN 5 Ca 0.21 -0.04 -0.35 0.00 -2.00 0.00 0.00 57.00 54.83 3iyj n GLN 5 Cb 0.35 0.01 -0.14 0.00 -4.06 0.00 0.00 30.24 26.39 3iyj n GLN 5 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 3iyj s GLN 6 N -2.02 3.18 0.15 3.69 -1.52 -1.26 -5.12 119.66 116.76 3iyj s GLN 6 Ca 0.00 -0.75 0.03 0.00 -1.95 0.00 0.00 55.36 52.69 3iyj s GLN 6 Cb -0.00 -2.98 -0.04 0.00 -0.22 0.00 0.00 33.01 29.77 3iyj s GLN 6 CO 0.00 -0.27 0.24 0.20 -0.25 0.00 0.00 175.29 175.21 3iyj s GLY 7 N 1.42 1.73 0.59 3.09 0.00 -1.26 -5.08 107.32 107.82 3iyj s GLY 7 Ca 0.04 -1.08 -0.20 0.00 0.00 0.00 0.00 44.72 43.49 3iyj s GLY 7 CO -0.04 -1.08 1.27 1.62 0.00 0.00 0.00 173.10 174.87 3iyj s GLN 8 N -3.15 2.95 0.20 2.90 2.00 -1.26 -4.89 119.66 118.41 3iyj s GLN 8 Ca 0.33 1.99 -0.28 0.00 -2.00 0.00 0.00 55.36 55.40 3iyj s GLN 8 Cb -0.11 -2.02 -0.17 0.00 0.80 0.00 0.00 33.01 31.51 3iyj s GLN 8 CO 0.27 -1.26 0.58 1.63 -0.50 0.00 0.00 175.29 176.00 3iyj n LYS 9 N -1.46 0.12 -4.41 1.67 5.02 -1.26 -4.99 118.16 112.86 3iyj n LYS 9 Ca 0.13 0.04 -0.31 0.00 -2.02 0.00 0.00 58.31 56.15 3iyj n LYS 9 Cb 0.48 -1.09 -0.10 0.00 -0.02 0.00 0.00 35.03 34.30 3iyj n LYS 9 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 3iyj s LEU 10 N 2.71 3.14 0.00 -0.35 0.05 -1.26 -5.13 118.68 117.83 3iyj s LEU 10 Ca 0.64 -0.20 -0.11 0.00 0.05 0.00 0.00 54.13 54.51 3iyj s LEU 10 Cb -0.92 -1.83 0.18 0.00 -2.05 0.00 0.00 46.19 41.58 3iyj s LEU 10 CO 0.56 0.26 1.11 -1.22 -0.55 0.00 0.00 176.35 176.51 3iyj n TYR 11 N 1.34 -3.72 -3.54 3.48 4.02 -1.26 -5.13 117.16 112.35 3iyj n TYR 11 Ca -0.15 -1.20 -0.10 0.00 -0.01 0.00 0.00 57.90 56.44 3iyj n TYR 11 Cb 0.52 -0.85 -0.02 0.00 -0.02 0.00 0.00 39.34 38.97 3iyj n TYR 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3iyj s LEU 12 N 0.00 -0.47 -0.27 7.72 1.43 -1.26 -5.14 118.68 120.69 3iyj s LEU 12 Ca 0.65 -0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.51 3iyj s LEU 12 Cb -0.02 2.58 -0.04 0.00 0.03 0.00 0.00 46.19 48.73 3iyj s LEU 12 CO 0.45 -1.03 0.14 -2.16 0.23 0.00 0.00 176.35 173.98 3iyj s PRO 13 N -3.73 3.84 0.02 1.29 0.04 -1.26 -5.09 135.00 130.10 3iyj s PRO 13 Ca 0.04 -0.38 -0.00 0.00 0.04 0.00 0.00 61.00 60.70 3iyj s PRO 13 Cb -0.02 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 31.01 3iyj s PRO 13 CO -0.08 -0.17 0.02 -0.35 0.04 0.00 0.00 177.00 176.46 3iyj n PRO 14 N 4.96 0.30 -3.98 0.56 -0.04 -1.26 -5.08 135.00 130.46 3iyj n PRO 14 Ca -0.15 -0.04 -0.29 0.00 -0.04 0.00 0.00 63.50 62.98 3iyj n PRO 14 Cb 0.52 -0.02 -0.17 0.00 -0.04 0.00 0.00 33.50 33.79 3iyj n PRO 14 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3iyj s THR 15 N -0.42 1.40 -0.13 0.52 2.01 -1.26 -4.92 115.64 112.84 3iyj s THR 15 Ca 0.01 -0.56 0.17 0.00 0.31 0.00 0.00 61.69 61.62 3iyj s THR 15 Cb -0.00 -1.36 -0.09 0.00 0.01 0.00 0.00 72.50 71.06 3iyj s THR 15 CO 0.01 0.40 0.97 1.55 -0.69 0.00 0.00 174.62 176.85 3iyj h PRO 16 N 8.09 0.00 -2.83 4.92 0.13 -2.04 -3.45 132.00 136.81 3iyj h PRO 16 Ca -0.34 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.52 3iyj h PRO 16 Cb 1.13 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 3iyj h PRO 16 CO 0.48 0.32 -0.30 0.28 -0.23 0.00 0.00 178.00 178.55 3iyj n VAL 17 N -2.95 -0.38 -1.14 1.56 0.31 -1.26 -4.72 118.33 109.75 3iyj n VAL 17 Ca -0.07 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.29 3iyj n VAL 17 Cb 0.80 -1.64 0.25 0.00 -0.91 0.00 0.00 33.84 32.34 3iyj n VAL 17 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3iyj n SER 18 N -1.31 3.62 -4.69 4.52 2.88 -1.26 -5.04 113.62 112.33 3iyj n SER 18 Ca -0.15 -3.28 -0.39 0.00 -1.33 0.00 0.00 58.87 53.73 3iyj n SER 18 Cb 0.55 -0.61 0.04 0.00 -0.75 0.00 0.00 64.21 63.44 3iyj n SER 18 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3iyj n LYS 19 N -0.65 1.48 -3.02 -1.46 4.76 -1.26 -4.98 118.16 113.02 3iyj n LYS 19 Ca 0.28 0.55 -0.23 0.00 -2.87 0.00 0.00 58.31 56.04 3iyj n LYS 19 Cb 1.02 -2.39 0.01 0.00 -1.84 0.00 0.00 35.03 31.83 3iyj n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3iyj s VAL 20 N -1.33 4.15 0.23 -0.18 0.11 -1.26 -5.11 120.40 117.01 3iyj s VAL 20 Ca 0.71 -0.48 0.11 0.00 -2.93 0.00 0.00 61.98 59.40 3iyj s VAL 20 Cb -0.44 -3.53 -0.05 0.00 -1.53 0.00 0.00 36.38 30.83 3iyj s VAL 20 CO 0.50 -0.37 -0.21 -0.76 -3.33 0.00 0.00 175.10 170.93 3iyj s LEU 21 N -4.53 2.56 -0.24 2.54 2.01 -1.26 -5.11 118.68 114.66 3iyj s LEU 21 Ca 0.47 -0.91 -0.17 0.00 0.01 0.00 0.00 54.13 53.53 3iyj s LEU 21 Cb -0.10 -1.19 -0.03 0.00 0.01 0.00 0.00 46.19 44.88 3iyj s LEU 21 CO 0.38 0.08 0.49 0.00 1.01 0.00 0.00 176.35 178.30 3iyj h SER 23 N 7.82 0.00 -0.52 0.00 4.64 -1.22 0.52 113.55 124.79 3iyj h SER 23 Ca -0.31 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.03 3iyj h SER 23 Cb 1.15 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.21 3iyj h SER 23 CO 0.71 0.00 0.34 -0.08 -0.87 0.00 0.00 176.83 176.94 3iyj h GLU 24 N 0.00 0.61 -0.62 4.77 4.81 -1.85 -1.68 114.58 120.62 3iyj h GLU 24 Ca 0.09 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3iyj h GLU 24 Cb 0.72 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 3iyj h GLU 24 CO -0.00 0.40 0.40 1.15 -0.73 0.00 0.00 179.01 180.23 3iyj h THR 25 N 0.63 1.16 -0.46 0.32 2.02 -0.34 -2.23 112.91 114.00 3iyj h THR 25 Ca 0.20 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3iyj h THR 25 Cb 0.04 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 3iyj h THR 25 CO -0.05 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.00 3iyj n TYR 26 N -4.65 0.61 -3.95 3.16 0.18 -1.19 -4.90 117.16 106.42 3iyj n TYR 26 Ca 0.05 -0.30 -0.35 0.00 1.88 0.00 0.00 57.90 59.17 3iyj n TYR 26 Cb 0.03 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.85 3iyj n TYR 26 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3iyj s VAL 27 N -1.39 3.48 -0.00 -3.48 1.01 -0.64 -2.91 120.40 116.47 3iyj s VAL 27 Ca 0.40 -0.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.73 3iyj s VAL 27 Cb 0.22 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 3iyj s VAL 27 CO 0.31 0.42 0.55 -1.10 0.00 0.00 0.00 175.10 175.28 3iyj s GLN 28 N 1.39 4.24 -0.25 2.72 -1.52 0.29 -4.74 119.66 121.80 3iyj s GLN 28 Ca 0.05 0.65 -0.08 0.00 -1.95 0.00 0.00 55.36 54.03 3iyj s GLN 28 Cb -0.14 -3.32 -0.03 0.00 -0.22 0.00 0.00 33.01 29.29 3iyj s GLN 28 CO -0.02 0.44 0.09 1.03 -0.25 0.00 0.00 175.29 176.58 3iyj s ARG 29 N -0.38 3.75 0.92 2.91 0.52 -1.26 -1.03 118.95 124.38 3iyj s ARG 29 Ca 0.29 -0.43 -0.14 0.00 -0.52 0.00 0.00 55.73 54.93 3iyj s ARG 29 Cb -0.18 -3.37 0.18 0.00 0.52 0.00 0.00 34.95 32.09 3iyj s ARG 29 CO 0.16 -0.13 1.27 0.15 0.02 0.00 0.00 175.30 176.78 3iyj s LYS 30 N 1.48 0.93 -0.47 3.54 -0.14 -0.83 -4.96 119.74 119.29 3iyj s LYS 30 Ca 0.06 -0.39 0.03 0.00 -1.36 0.00 0.00 55.97 54.31 3iyj s LYS 30 Cb -0.15 -1.90 0.49 0.00 -1.68 0.00 0.00 37.83 34.59 3iyj s LYS 30 CO 0.05 -2.21 1.69 -1.13 -0.76 0.00 0.00 175.35 172.99 3iyj n SER 31 N -3.62 5.49 -4.75 2.83 3.41 -1.26 -4.73 113.62 111.00 3iyj n SER 31 Ca 0.14 -3.76 -0.32 0.00 -0.26 0.00 0.00 58.87 54.67 3iyj n SER 31 Cb 0.60 -0.72 -0.08 0.00 -0.26 0.00 0.00 64.21 63.75 3iyj n SER 31 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3iyj s ILE 32 N -4.29 4.49 0.11 -1.33 1.09 -1.26 -5.02 121.20 114.99 3iyj s ILE 32 Ca 0.56 -0.54 0.06 0.00 -1.10 0.00 0.00 60.65 59.63 3iyj s ILE 32 Cb 0.46 -3.06 -0.04 0.00 -1.06 0.00 0.00 42.46 38.77 3iyj s ILE 32 CO 0.02 0.32 -0.14 -0.36 -0.10 0.00 0.00 174.94 174.68 3iyj s PHE 33 N -1.19 1.36 0.09 3.97 0.40 -1.26 -2.25 117.98 119.10 3iyj s PHE 33 Ca 0.23 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 56.03 3iyj s PHE 33 Cb -0.12 -0.72 -0.04 0.00 0.51 0.00 0.00 43.02 42.65 3iyj s PHE 33 CO 0.14 0.12 -0.06 0.71 0.70 0.00 0.00 175.22 176.83 3iyj s TYR 34 N -2.02 0.87 -0.24 0.36 1.51 0.66 -4.70 117.35 113.79 3iyj s TYR 34 Ca 0.07 -0.91 0.01 0.00 -1.01 0.00 0.00 57.07 55.23 3iyj s TYR 34 Cb -0.06 -0.51 0.06 0.00 -0.11 0.00 0.00 41.96 41.35 3iyj s TYR 34 CO 0.03 -0.16 -0.07 -1.58 -1.11 0.00 0.00 175.55 172.66 3iyj s HIS 35 N -3.59 2.55 -0.48 2.71 5.65 -0.96 -2.74 115.29 118.43 3iyj s HIS 35 Ca 0.11 -1.85 -0.10 0.00 0.25 0.00 0.00 55.06 53.47 3iyj s HIS 35 Cb 0.05 -1.64 0.12 0.00 -1.18 0.00 0.00 32.58 29.93 3iyj s HIS 35 CO -0.05 -0.79 0.37 0.00 -0.65 0.00 0.00 174.74 173.62 3iyj s ALA 36 N 1.34 3.44 -0.26 1.58 0.00 -0.60 -2.53 121.76 124.72 3iyj s ALA 36 Ca -0.06 -2.54 -0.07 0.00 0.00 0.00 0.00 51.96 49.29 3iyj s ALA 36 Cb -0.19 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 3iyj s ALA 36 CO -0.06 -1.92 0.07 -2.00 0.00 0.00 0.00 175.76 171.85 3iyj s GLU 37 N 1.40 3.48 0.28 0.00 2.12 -1.22 -1.98 118.70 122.79 3iyj s GLU 37 Ca 0.05 -0.60 -0.23 0.00 0.36 0.00 0.00 54.97 54.56 3iyj s GLU 37 Cb -0.27 -3.34 -0.09 0.00 0.26 0.00 0.00 34.13 30.69 3iyj s GLU 37 CO -0.00 -0.27 0.84 0.95 -0.54 0.00 0.00 175.26 176.24 3iyj s THR 38 N 1.58 4.40 0.40 -1.70 -4.23 -0.58 -4.91 115.64 110.60 3iyj s THR 38 Ca 0.05 1.54 -0.24 0.00 -1.18 0.00 0.00 61.69 61.86 3iyj s THR 38 Cb -0.16 -3.91 -0.09 0.00 1.34 0.00 0.00 72.50 69.68 3iyj s THR 38 CO 0.03 0.14 1.04 -1.61 -0.54 0.00 0.00 174.62 173.68 3iyj s GLU 39 N -2.09 4.17 0.11 3.99 0.41 -1.26 -4.36 118.70 119.67 3iyj s GLU 39 Ca 0.47 1.47 -0.35 0.00 -0.41 0.00 0.00 54.97 56.15 3iyj s GLU 39 Cb -0.17 -2.50 -0.17 0.00 -1.78 0.00 0.00 34.13 29.50 3iyj s GLU 39 CO 0.22 -0.13 1.07 2.89 -0.49 0.00 0.00 175.26 178.81 3iyj n ARG 40 N -0.13 0.62 -4.37 1.61 1.85 -1.26 -4.90 116.66 110.08 3iyj n ARG 40 Ca 0.05 0.22 -0.34 0.00 -1.00 0.00 0.00 57.85 56.79 3iyj n ARG 40 Cb 0.50 -1.67 -0.12 0.00 -1.05 0.00 0.00 32.46 30.12 3iyj n ARG 40 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3iyj s LEU 41 N 0.76 3.26 0.15 2.89 1.43 -0.22 -4.99 118.68 121.98 3iyj s LEU 41 Ca 0.79 -0.13 0.09 0.00 -1.03 0.00 0.00 54.13 53.86 3iyj s LEU 41 Cb -1.01 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 3iyj s LEU 41 CO 0.53 0.16 -0.21 -0.76 0.23 0.00 0.00 176.35 176.31 3iyj s LEU 42 N 0.40 2.40 -0.20 1.79 1.43 -1.26 -2.41 118.68 120.82 3iyj s LEU 42 Ca -0.04 -0.82 -0.20 0.00 -1.03 0.00 0.00 54.13 52.04 3iyj s LEU 42 Cb -0.14 -0.93 0.06 0.00 0.03 0.00 0.00 46.19 45.20 3iyj s LEU 42 CO 0.03 0.03 0.57 0.42 0.23 0.00 0.00 176.35 177.63 3iyj s THR 43 N -1.71 0.00 0.10 5.49 -4.23 -1.16 -5.04 115.64 109.09 3iyj s THR 43 Ca 0.15 -0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.63 3iyj s THR 43 Cb -0.07 -0.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 3iyj s THR 43 CO 0.07 -0.01 0.03 0.27 -0.54 0.00 0.00 174.62 174.43 3iyj s ILE 44 N 0.16 0.15 -5.00 2.99 -4.36 -1.26 -2.26 121.20 111.62 3iyj s ILE 44 Ca -0.01 -1.85 0.00 0.00 -0.26 0.00 0.00 60.65 58.53 3iyj s ILE 44 Cb -0.04 -1.81 0.00 0.00 1.25 0.00 0.00 42.46 41.86 3iyj s ILE 44 CO 0.01 -0.69 0.00 0.61 0.24 0.00 0.00 174.94 175.12 3iyj n GLY 45 N -0.01 -1.88 3.60 6.27 0.00 -0.51 -4.70 105.19 107.96 3iyj n GLY 45 Ca -0.09 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 3iyj n GLY 45 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3iyj s HIS 46 N -2.52 3.18 0.20 1.61 2.46 -1.21 -1.98 115.29 117.03 3iyj s HIS 46 Ca 0.00 0.63 -0.08 0.00 0.47 0.00 0.00 55.06 56.07 3iyj s HIS 46 Cb 0.00 -3.20 0.13 0.00 -0.13 0.00 0.00 32.58 29.38 3iyj s HIS 46 CO 0.00 -0.59 1.73 -1.00 -2.47 0.00 0.00 174.74 172.41 3iyj h PRO 47 N 8.27 1.16 -0.18 2.88 0.13 -1.82 -2.57 132.00 139.87 3iyj h PRO 47 Ca -0.25 -0.26 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3iyj h PRO 47 Cb 1.10 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 3iyj h PRO 47 CO 0.86 0.99 0.10 1.88 -0.23 0.00 0.00 178.00 181.61 3iyj h TYR 48 N 1.10 0.25 -2.65 1.56 -1.99 -1.88 -3.36 116.97 110.00 3iyj h TYR 48 Ca 0.23 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.92 3iyj h TYR 48 Cb 0.33 -0.08 -0.15 0.00 2.00 0.00 0.00 36.73 38.83 3iyj h TYR 48 CO 0.03 0.23 0.17 1.52 -0.00 0.00 0.00 178.16 180.10 3iyj s TYR 49 N -5.90 -0.55 0.16 4.88 -0.85 -1.25 -4.42 117.35 109.41 3iyj s TYR 49 Ca -0.13 0.60 -0.31 0.00 -0.52 0.00 0.00 57.07 56.70 3iyj s TYR 49 Cb 0.08 0.47 -0.11 0.00 0.38 0.00 0.00 41.96 42.78 3iyj s TYR 49 CO 0.70 -0.73 1.69 -1.25 -1.52 0.00 0.00 175.55 174.43 3iyj s PRO 50 N -2.70 4.16 0.33 -3.49 0.04 -1.26 -4.53 135.00 127.55 3iyj s PRO 50 Ca -0.04 2.50 0.06 0.00 0.04 0.00 0.00 61.00 63.56 3iyj s PRO 50 Cb -0.01 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 3iyj s PRO 50 CO -0.04 -0.73 0.47 0.08 0.04 0.00 0.00 177.00 176.83 3iyj s VAL 51 N 1.72 4.24 -0.23 -0.36 1.01 -1.16 -4.96 120.40 120.65 3iyj s VAL 51 Ca 0.75 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 3iyj s VAL 51 Cb -0.46 -3.48 0.10 0.00 0.00 0.00 0.00 36.38 32.55 3iyj s VAL 51 CO 0.33 -0.20 0.23 -0.55 0.00 0.00 0.00 175.10 174.91 3iyj s SER 52 N -4.15 1.69 -0.18 3.32 0.15 -1.26 -2.44 113.70 110.82 3iyj s SER 52 Ca 0.44 -0.48 -0.03 0.00 0.70 0.00 0.00 55.95 56.58 3iyj s SER 52 Cb -0.09 0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 64.53 3iyj s SER 52 CO 0.31 -0.35 -0.06 0.27 1.20 0.00 0.00 173.24 174.61 3iyj s ILE 53 N 2.31 3.48 0.00 6.45 -4.36 -1.18 -4.97 121.20 122.93 3iyj s ILE 53 Ca 0.08 -0.48 0.00 0.00 -0.26 0.00 0.00 60.65 59.99 3iyj s ILE 53 Cb -0.15 -2.54 0.00 0.00 1.25 0.00 0.00 42.46 41.01 3iyj s ILE 53 CO -0.20 0.46 0.00 0.61 0.24 0.00 0.00 174.94 176.05 3iyj n GLY 54 N 4.17 2.61 0.14 6.27 0.00 -1.26 -2.58 105.19 114.54 3iyj n GLY 54 Ca -0.18 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.65 3iyj n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyj n ALA 55 N 11.03 2.30 -2.54 4.61 0.00 -1.26 -5.02 120.51 129.63 3iyj n ALA 55 Ca 0.00 -2.42 -0.27 0.00 0.00 0.00 0.00 53.44 50.75 3iyj n ALA 55 Cb 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 19.45 18.99 3iyj n ALA 55 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3iyj s LYS 56 N -2.67 2.10 0.39 0.00 1.02 -1.06 -5.16 119.74 114.36 3iyj s LYS 56 Ca 0.30 -2.00 0.01 0.00 0.02 0.00 0.00 55.97 54.30 3iyj s LYS 56 Cb 0.26 -1.80 0.01 0.00 -0.52 0.00 0.00 37.83 35.77 3iyj s LYS 56 CO 0.03 -0.11 0.09 0.25 -0.92 0.00 0.00 175.35 174.69 3iyj n THR 57 N -1.12 0.00 -3.36 2.17 -2.24 -1.26 -3.12 114.28 105.34 3iyj n THR 57 Ca -0.04 -1.77 -0.15 0.00 -2.27 0.00 0.00 64.05 59.82 3iyj n THR 57 Cb 0.66 0.22 -0.08 0.00 -2.10 0.00 0.00 70.33 69.03 3iyj n THR 57 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3iyj s VAL 58 N -2.30 -0.45 0.11 2.28 1.01 -1.02 -4.87 120.40 115.16 3iyj s VAL 58 Ca 0.07 -0.60 -0.35 0.00 0.00 0.00 0.00 61.98 61.10 3iyj s VAL 58 Cb -0.01 -0.85 -0.17 0.00 0.00 0.00 0.00 36.38 35.35 3iyj s VAL 58 CO 0.04 -0.45 1.08 -0.81 0.00 0.00 0.00 175.10 174.96 3iyj n PRO 59 N 4.93 0.68 -2.52 2.72 -0.04 -1.26 -3.01 135.00 136.50 3iyj n PRO 59 Ca 0.03 0.24 -0.40 0.00 -0.04 0.00 0.00 63.50 63.34 3iyj n PRO 59 Cb 0.47 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 3iyj n PRO 59 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3iyj s LYS 60 N -0.21 3.47 -0.52 0.54 0.00 -1.24 -3.34 119.74 118.44 3iyj s LYS 60 Ca 0.79 -0.94 -0.19 0.00 0.00 0.00 0.00 55.97 55.63 3iyj s LYS 60 Cb -1.00 -5.17 0.07 0.00 0.00 0.00 0.00 37.83 31.73 3iyj s LYS 60 CO 0.53 -2.27 0.62 0.08 0.00 0.00 0.00 175.35 174.31 3iyj s VAL 61 N 5.41 4.90 0.50 1.79 1.01 -0.97 -4.72 120.40 128.32 3iyj s VAL 61 Ca 0.46 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.85 3iyj s VAL 61 Cb -0.02 -4.33 0.04 0.00 0.00 0.00 0.00 36.38 32.07 3iyj s VAL 61 CO -0.06 -0.86 0.56 -0.55 0.00 0.00 0.00 175.10 174.19 3iyj s SER 62 N 2.90 5.07 0.00 3.32 0.15 -1.26 -2.93 113.70 120.95 3iyj s SER 62 Ca 0.13 -0.84 0.25 0.00 0.70 0.00 0.00 55.95 56.19 3iyj s SER 62 Cb -0.21 -0.06 0.46 0.00 -1.71 0.00 0.00 66.02 64.50 3iyj s SER 62 CO 0.10 -1.01 1.40 0.00 1.20 0.00 0.00 173.24 174.93 3iyj n ALA 63 N -1.89 2.71 -3.02 5.45 0.00 -1.26 -4.38 120.51 118.12 3iyj n ALA 63 Ca 0.07 -0.59 -0.27 0.00 0.00 0.00 0.00 53.44 52.66 3iyj n ALA 63 Cb 0.62 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 19.08 3iyj n ALA 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3iyj n ASN 64 N 0.63 4.26 -3.74 0.00 5.03 -1.26 -3.93 115.26 116.26 3iyj n ASN 64 Ca 0.15 -3.63 -0.12 0.00 0.87 0.00 0.00 54.58 51.84 3iyj n ASN 64 Cb 0.49 -0.58 -0.13 0.00 -1.02 0.00 0.00 39.78 38.54 3iyj n ASN 64 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3iyj s GLN 65 N -3.29 0.21 -0.52 3.52 -0.21 -1.25 -1.63 119.66 116.48 3iyj s GLN 65 Ca 0.47 0.49 -0.27 0.00 0.02 0.00 0.00 55.36 56.07 3iyj s GLN 65 Cb 0.26 -0.09 -0.03 0.00 1.00 0.00 0.00 33.01 34.16 3iyj s GLN 65 CO -0.12 -0.14 1.92 0.71 -2.12 0.00 0.00 175.29 175.54 3iyj s TYR 66 N 1.09 1.61 -0.16 0.91 2.02 -1.11 -4.80 117.35 116.91 3iyj s TYR 66 Ca -0.08 0.86 -0.29 0.00 -0.37 0.00 0.00 57.07 57.19 3iyj s TYR 66 Cb -0.09 -4.03 -0.04 0.00 -0.40 0.00 0.00 41.96 37.40 3iyj s TYR 66 CO -0.07 -2.51 1.76 1.03 -1.57 0.00 0.00 175.55 174.20 3iyj s ARG 67 N 6.87 3.80 -0.32 -0.62 1.81 -0.95 -4.47 118.95 125.06 3iyj s ARG 67 Ca 0.75 1.93 -0.02 0.00 -1.72 0.00 0.00 55.73 56.67 3iyj s ARG 67 Cb -0.16 -4.10 0.06 0.00 -0.45 0.00 0.00 34.95 30.31 3iyj s ARG 67 CO 0.25 -1.30 0.04 0.08 -0.68 0.00 0.00 175.30 173.69 3iyj s VAL 68 N 5.39 3.02 0.13 3.52 1.01 -1.26 -1.76 120.40 130.45 3iyj s VAL 68 Ca 0.79 -1.56 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 3iyj s VAL 68 Cb -0.30 -2.83 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 3iyj s VAL 68 CO 0.32 -0.25 0.62 -0.36 0.00 0.00 0.00 175.10 175.43 3iyj s PHE 69 N 1.21 3.74 -0.34 5.22 2.99 -0.14 -2.37 117.98 128.29 3iyj s PHE 69 Ca -0.02 1.28 -0.06 0.00 0.00 0.00 0.00 56.93 58.13 3iyj s PHE 69 Cb -0.20 -2.52 0.04 0.00 0.00 0.00 0.00 43.02 40.34 3iyj s PHE 69 CO -0.02 0.49 0.11 0.21 -0.00 0.00 0.00 175.22 176.02 3iyj s LYS 70 N -1.50 2.59 -0.54 0.44 2.20 -0.58 -1.70 119.74 120.65 3iyj s LYS 70 Ca 0.35 -1.22 -0.19 0.00 -0.36 0.00 0.00 55.97 54.54 3iyj s LYS 70 Cb -0.18 -3.47 0.07 0.00 -1.51 0.00 0.00 37.83 32.74 3iyj s LYS 70 CO 0.20 -0.69 0.69 0.42 -0.36 0.00 0.00 175.35 175.60 3iyj s ILE 71 N 1.39 4.80 -0.12 5.43 1.09 -0.86 -1.48 121.20 131.45 3iyj s ILE 71 Ca -0.01 -0.60 -0.23 0.00 -1.10 0.00 0.00 60.65 58.71 3iyj s ILE 71 Cb -0.20 -4.39 -0.03 0.00 -1.06 0.00 0.00 42.46 36.78 3iyj s ILE 71 CO 0.02 -0.96 0.68 -1.58 -0.10 0.00 0.00 174.94 173.01 3iyj s GLN 72 N 2.80 4.35 0.56 2.79 0.74 -0.79 -2.32 119.66 127.79 3iyj s GLN 72 Ca 0.15 0.79 -0.01 0.00 0.05 0.00 0.00 55.36 56.35 3iyj s GLN 72 Cb -0.20 -3.50 0.03 0.00 1.10 0.00 0.00 33.01 30.44 3iyj s GLN 72 CO 0.10 -0.05 0.80 -0.51 -0.55 0.00 0.00 175.29 175.08 3iyj s LEU 73 N 1.24 3.27 -0.16 3.68 1.43 -1.15 -2.47 118.68 124.51 3iyj s LEU 73 Ca 0.34 0.16 -0.21 0.00 -1.03 0.00 0.00 54.13 53.39 3iyj s LEU 73 Cb -0.17 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 3iyj s LEU 73 CO 0.15 -1.13 0.65 -2.84 0.23 0.00 0.00 176.35 173.41 3iyj s PRO 74 N -4.81 4.28 0.11 1.29 0.02 -1.26 -4.78 135.00 129.84 3iyj s PRO 74 Ca 0.56 0.69 -0.31 0.00 0.02 0.00 0.00 61.00 61.96 3iyj s PRO 74 Cb -0.10 -3.54 -0.11 0.00 0.02 0.00 0.00 34.50 30.77 3iyj s PRO 74 CO 0.40 -0.15 1.84 -3.47 -0.33 0.00 0.00 177.00 175.29 3iyj n ASP 75 N 4.67 4.00 -0.18 2.53 -0.08 -1.26 -4.84 116.55 121.40 3iyj n ASP 75 Ca -0.01 0.98 -0.09 0.00 -1.51 0.00 0.00 54.79 54.16 3iyj n ASP 75 Cb 0.50 -1.53 0.03 0.00 2.34 0.00 0.00 41.12 42.46 3iyj n ASP 75 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3iyj h PRO 76 N 8.66 1.01 0.00 -0.67 0.13 -1.90 -3.08 132.00 136.13 3iyj h PRO 76 Ca -0.47 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 3iyj h PRO 76 Cb 1.23 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3iyj h PRO 76 CO 0.95 1.04 0.00 -1.71 -0.23 0.00 0.00 178.00 178.05 3iyj n ASN 77 N -4.15 0.00 -1.56 1.44 4.05 -1.24 -2.58 115.26 111.21 3iyj n ASN 77 Ca 0.02 -0.58 -0.12 0.00 0.45 0.00 0.00 54.58 54.35 3iyj n ASN 77 Cb 0.39 -0.04 0.09 0.00 1.23 0.00 0.00 39.78 41.44 3iyj n ASN 77 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 3iyj n GLN 78 N -1.04 2.77 -0.04 1.20 7.27 -1.16 -4.92 117.38 121.45 3iyj n GLN 78 Ca 0.15 -3.80 0.00 0.00 0.07 0.00 0.00 57.00 53.42 3iyj n GLN 78 Cb 0.09 -1.97 0.00 0.00 2.41 0.00 0.00 30.24 30.76 3iyj n GLN 78 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 3iyj n PHE 79 N -0.81 -0.17 -4.30 3.69 3.01 -1.07 -4.99 117.46 112.82 3iyj n PHE 79 Ca 0.33 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.45 3iyj n PHE 79 Cb 0.87 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 40.23 3iyj n PHE 79 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3iyj s ALA 80 N -2.56 3.16 -0.33 4.37 0.00 -1.26 -5.07 121.76 120.07 3iyj s ALA 80 Ca 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.18 3iyj s ALA 80 Cb 0.00 -1.63 0.10 0.00 0.00 0.00 0.00 23.12 21.59 3iyj s ALA 80 CO 0.00 0.29 0.08 -0.51 0.00 0.00 0.00 175.76 175.62 3iyj s LEU 81 N 0.09 3.34 0.18 0.00 1.43 -1.26 -4.98 118.68 117.47 3iyj s LEU 81 Ca 0.01 -1.90 0.23 0.00 -1.03 0.00 0.00 54.13 51.45 3iyj s LEU 81 Cb -0.13 -1.20 0.90 0.00 0.03 0.00 0.00 46.19 45.79 3iyj s LEU 81 CO 0.02 -0.39 1.71 -2.65 0.23 0.00 0.00 176.35 175.26 3iyj n PRO 82 N 4.54 0.16 -4.61 1.29 -0.02 -1.26 -4.88 135.00 130.22 3iyj n PRO 82 Ca 0.01 0.30 -0.28 0.00 -2.02 0.00 0.00 63.50 61.51 3iyj n PRO 82 Cb 0.42 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 32.04 3iyj n PRO 82 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3iyj s ASP 83 N -3.98 3.48 0.25 2.55 1.47 -1.26 -5.04 116.67 114.14 3iyj s ASP 83 Ca 0.07 -1.50 0.21 0.00 1.18 0.00 0.00 52.55 52.51 3iyj s ASP 83 Cb 0.11 0.07 0.08 0.00 -0.34 0.00 0.00 42.92 42.84 3iyj s ASP 83 CO 0.43 -0.67 1.20 0.03 0.68 0.00 0.00 175.17 176.84 3iyj h ARG 84 N 1.72 0.00 0.00 2.11 2.47 -2.01 -3.32 114.38 115.35 3iyj h ARG 84 Ca -0.42 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.28 3iyj h ARG 84 Cb 1.27 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.59 3iyj h ARG 84 CO 0.73 0.08 -0.07 1.15 0.56 0.00 0.00 179.97 182.42 3iyj h THR 85 N 0.00 0.62 -4.13 2.04 2.02 -1.99 -3.43 112.91 108.04 3iyj h THR 85 Ca -0.02 -0.31 -0.55 0.00 0.77 0.00 0.00 66.41 66.30 3iyj h THR 85 Cb 1.11 1.19 0.15 0.00 -1.74 0.00 0.00 68.15 68.86 3iyj h THR 85 CO 0.01 0.07 0.47 -0.69 0.37 0.00 0.00 175.52 175.76 3iyj s VAL 86 N -4.44 2.22 0.34 3.16 1.01 -1.25 -4.80 120.40 116.63 3iyj s VAL 86 Ca -0.04 0.13 -0.28 0.00 0.00 0.00 0.00 61.98 61.79 3iyj s VAL 86 Cb 0.14 -2.95 -0.12 0.00 0.00 0.00 0.00 36.38 33.44 3iyj s VAL 86 CO 0.58 -0.04 1.23 0.00 0.00 0.00 0.00 175.10 176.88 3iyj n HIS 87 N -2.07 2.07 -1.73 5.22 -0.00 -1.26 -4.88 115.22 112.56 3iyj n HIS 87 Ca 0.15 0.58 -0.38 0.00 -0.00 0.00 0.00 57.72 58.06 3iyj n HIS 87 Cb 0.49 -2.38 0.05 0.00 -0.00 0.00 0.00 29.99 28.15 3iyj n HIS 87 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 3iyj n ASN 88 N 0.81 2.42 -0.34 4.39 4.05 -1.26 -4.87 115.26 120.46 3iyj n ASN 88 Ca 0.06 0.94 0.00 0.00 0.45 0.00 0.00 54.58 56.03 3iyj n ASN 88 Cb 0.36 -1.56 0.17 0.00 1.23 0.00 0.00 39.78 39.98 3iyj n ASN 88 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 3iyj h PRO 89 N 1.17 1.18 0.00 1.20 0.11 -1.90 -3.20 132.00 130.57 3iyj h PRO 89 Ca -0.51 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.53 3iyj h PRO 89 Cb 1.32 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3iyj h PRO 89 CO 0.56 0.78 -1.18 0.43 -0.21 0.00 0.00 178.00 178.38 3iyj n SER 90 N -4.43 0.83 0.00 -2.05 7.64 -1.26 -4.59 113.62 109.76 3iyj n SER 90 Ca 0.12 -0.61 -0.17 0.00 1.01 0.00 0.00 58.87 59.22 3iyj n SER 90 Cb 0.08 1.28 -0.12 0.00 -1.01 0.00 0.00 64.21 64.45 3iyj n SER 90 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3iyj h LYS 91 N 0.00 0.34 -4.78 1.43 1.57 -1.90 -3.46 116.57 109.78 3iyj h LYS 91 Ca 0.00 -0.39 -0.28 0.00 -1.87 0.00 0.00 60.65 58.11 3iyj h LYS 91 Cb 0.56 0.12 -0.15 0.00 0.08 0.00 0.00 32.23 32.84 3iyj h LYS 91 CO 0.00 1.09 -0.67 -1.21 -0.57 0.00 0.00 179.45 178.09 3iyj s GLU 92 N -3.07 1.08 0.04 3.15 2.02 -1.22 0.09 118.70 120.80 3iyj s GLU 92 Ca -0.14 -1.51 0.03 0.00 0.02 0.00 0.00 54.97 53.37 3iyj s GLU 92 Cb 0.02 -0.24 -0.02 0.00 0.10 0.00 0.00 34.13 33.99 3iyj s GLU 92 CO 0.81 -0.13 -0.10 1.03 0.02 0.00 0.00 175.26 176.89 3iyj s ARG 93 N -3.91 0.66 0.16 1.61 1.81 -0.50 -4.78 118.95 114.00 3iyj s ARG 93 Ca 0.23 -0.75 0.05 0.00 -1.72 0.00 0.00 55.73 53.54 3iyj s ARG 93 Cb 0.06 -0.55 -0.04 0.00 -0.45 0.00 0.00 34.95 33.97 3iyj s ARG 93 CO 0.03 0.12 0.09 -0.51 -0.68 0.00 0.00 175.30 174.36 3iyj s LEU 94 N -1.40 3.67 0.00 2.53 1.43 -1.26 0.01 118.68 123.65 3iyj s LEU 94 Ca -0.05 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3iyj s LEU 94 Cb -0.09 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.83 3iyj s LEU 94 CO 0.01 0.08 0.00 1.33 0.23 0.00 0.00 176.35 178.00 3iyj n VAL 95 N -0.22 0.00 -4.36 -1.59 0.24 -0.37 -3.71 118.33 108.33 3iyj n VAL 95 Ca -0.09 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.94 3iyj n VAL 95 Cb 0.55 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.81 3iyj n VAL 95 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3iyj s TRP 96 N -3.30 2.45 -0.06 6.34 0.23 -1.26 -3.11 118.94 120.23 3iyj s TRP 96 Ca 0.00 -0.30 -0.03 0.00 -2.03 0.00 0.00 56.10 53.74 3iyj s TRP 96 Cb 0.00 -1.24 0.04 0.00 0.03 0.00 0.00 33.47 32.30 3iyj s TRP 96 CO 0.00 0.47 0.12 0.00 0.96 0.00 0.00 176.95 178.50 3iyj s ALA 97 N -1.52 -0.06 0.27 0.98 0.00 -0.78 -0.83 121.76 119.83 3iyj s ALA 97 Ca 0.21 0.46 -0.29 0.00 0.00 0.00 0.00 51.96 52.34 3iyj s ALA 97 Cb -0.09 -0.65 -0.09 0.00 0.00 0.00 0.00 23.12 22.29 3iyj s ALA 97 CO 0.11 -0.43 0.97 0.14 0.00 0.00 0.00 175.76 176.55 3iyj s VAL 98 N 1.96 3.98 0.00 0.00 -7.23 -0.77 -0.60 120.40 117.73 3iyj s VAL 98 Ca 0.00 1.89 0.00 0.00 -1.81 0.00 0.00 61.98 62.06 3iyj s VAL 98 Cb -0.12 -4.16 0.00 0.00 0.56 0.00 0.00 36.38 32.66 3iyj s VAL 98 CO -0.05 0.37 0.00 -0.38 -0.31 0.00 0.00 175.10 174.74 3iyj n ILE 99 N 1.16 0.00 -4.04 -0.62 5.41 -0.14 -4.80 119.36 116.33 3iyj n ILE 99 Ca -0.01 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.61 3iyj n ILE 99 Cb 0.47 -0.48 -0.13 0.00 -0.71 0.00 0.00 39.64 38.79 3iyj n ILE 99 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3iyj s GLY 100 N -3.77 0.22 -0.01 7.39 0.00 -1.16 0.00 107.32 109.99 3iyj s GLY 100 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.45 3iyj s GLY 100 CO 0.00 -0.28 -0.03 0.14 0.00 0.00 0.00 173.10 172.93 3iyj s VAL 101 N -0.43 0.28 -0.29 1.40 1.01 -1.04 -0.93 120.40 120.40 3iyj s VAL 101 Ca -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 3iyj s VAL 101 Cb -0.04 -0.26 0.12 0.00 0.00 0.00 0.00 36.38 36.20 3iyj s VAL 101 CO -0.00 0.10 0.24 -1.58 0.00 0.00 0.00 175.10 173.85 3iyj s GLN 102 N 0.14 0.27 -0.23 2.72 0.74 -0.57 -0.83 119.66 121.90 3iyj s GLN 102 Ca -0.01 -0.26 -0.25 0.00 0.05 0.00 0.00 55.36 54.89 3iyj s GLN 102 Cb -0.04 -0.84 -0.01 0.00 1.10 0.00 0.00 33.01 33.22 3iyj s GLN 102 CO -0.00 -1.01 0.84 0.08 -0.55 0.00 0.00 175.29 174.64 3iyj s VAL 103 N 2.27 4.83 -0.17 1.34 1.01 -1.26 -2.67 120.40 125.76 3iyj s VAL 103 Ca 0.09 1.60 -0.05 0.00 0.00 0.00 0.00 61.98 63.62 3iyj s VAL 103 Cb -0.15 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 3iyj s VAL 103 CO -0.34 -0.07 -0.00 -0.55 0.00 0.00 0.00 175.10 174.14 3iyj s SER 104 N 1.31 5.03 -0.35 3.32 0.15 -0.47 -1.63 113.70 121.07 3iyj s SER 104 Ca 0.36 -0.08 -0.05 0.00 0.70 0.00 0.00 55.95 56.87 3iyj s SER 104 Cb -0.15 -1.84 0.05 0.00 -1.71 0.00 0.00 66.02 62.37 3iyj s SER 104 CO 0.08 0.15 0.11 -0.13 1.20 0.00 0.00 173.24 174.65 3iyj s ARG 105 N 0.48 2.53 -0.58 5.44 0.52 -1.26 -1.17 118.95 124.91 3iyj s ARG 105 Ca -0.01 -1.28 -0.14 0.00 -0.52 0.00 0.00 55.73 53.77 3iyj s ARG 105 Cb -0.14 -3.45 0.14 0.00 0.52 0.00 0.00 34.95 32.03 3iyj s ARG 105 CO 0.02 -0.72 0.52 0.20 0.02 0.00 0.00 175.30 175.33 3iyj s GLY 106 N 1.49 2.19 -0.04 -3.53 0.00 -1.04 -5.00 107.32 101.40 3iyj s GLY 106 Ca -0.01 -2.69 -0.30 0.00 0.00 0.00 0.00 44.72 41.72 3iyj s GLY 106 CO 0.01 1.19 1.01 1.20 0.00 0.00 0.00 173.10 176.52 3iyj s GLN 107 N 1.27 0.69 0.15 2.90 -1.52 -1.26 -4.41 119.66 117.47 3iyj s GLN 107 Ca 0.06 -0.29 -0.30 0.00 -1.95 0.00 0.00 55.36 52.89 3iyj s GLN 107 Cb -0.26 0.30 -0.07 0.00 -0.22 0.00 0.00 33.01 32.76 3iyj s GLN 107 CO 0.00 -0.31 1.16 -2.14 -0.25 0.00 0.00 175.29 173.76 3iyj s PRO 108 N -2.90 4.51 0.86 2.91 0.02 -1.26 -4.99 135.00 134.15 3iyj s PRO 108 Ca 0.08 1.79 -0.11 0.00 0.02 0.00 0.00 61.00 62.78 3iyj s PRO 108 Cb -0.01 -3.28 0.11 0.00 0.02 0.00 0.00 34.50 31.35 3iyj s PRO 108 CO -0.06 -0.08 1.15 -1.17 -0.33 0.00 0.00 177.00 176.51 3iyj s LEU 109 N 0.08 2.96 0.00 -5.54 2.96 -1.26 -4.70 118.68 113.18 3iyj s LEU 109 Ca 0.53 2.18 0.00 0.00 -0.22 0.00 0.00 54.13 56.62 3iyj s LEU 109 Cb -0.31 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 41.82 3iyj s LEU 109 CO 0.34 -2.82 0.00 0.61 -1.32 0.00 0.00 176.35 173.16 3iyj n GLY 110 N 0.07 -0.34 3.92 7.98 0.00 -1.22 -5.00 105.19 110.60 3iyj n GLY 110 Ca 0.12 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 3iyj n GLY 110 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iyj s GLY 111 N 0.00 2.17 -0.13 -0.02 0.00 -1.26 -4.46 107.32 103.62 3iyj s GLY 111 Ca 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 44.72 43.74 3iyj s GLY 111 CO 0.00 -0.83 0.29 -1.59 0.00 0.00 0.00 173.10 170.96 3iyj s THR 112 N -1.51 5.29 0.21 0.90 2.01 -1.23 -4.50 115.64 116.80 3iyj s THR 112 Ca 0.35 0.54 0.11 0.00 0.31 0.00 0.00 61.69 63.00 3iyj s THR 112 Cb -0.13 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 3iyj s THR 112 CO 0.28 0.46 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.76 3iyj s VAL 113 N -0.01 2.22 -0.04 3.82 1.01 -1.26 -1.53 120.40 124.61 3iyj s VAL 113 Ca 0.17 -2.11 -0.22 0.00 0.00 0.00 0.00 61.98 59.82 3iyj s VAL 113 Cb -0.13 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.19 3iyj s VAL 113 CO 0.05 -0.26 0.48 0.28 0.00 0.00 0.00 175.10 175.65 3iyj s THR 114 N -2.05 0.03 0.00 3.92 -1.32 -1.04 -4.87 115.64 110.30 3iyj s THR 114 Ca 0.22 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 3iyj s THR 114 Cb -0.06 -0.78 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 3iyj s THR 114 CO 0.10 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 3iyj n GLY 115 N 1.23 4.83 3.64 6.08 0.00 -1.26 -1.05 105.19 118.66 3iyj n GLY 115 Ca -0.20 -1.05 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 3iyj n GLY 115 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3iyj s HIS 116 N -0.07 -0.42 0.10 1.61 2.46 -1.01 -0.50 115.29 117.45 3iyj s HIS 116 Ca 0.00 1.01 -0.33 0.00 0.47 0.00 0.00 55.06 56.21 3iyj s HIS 116 Cb 0.00 0.38 -0.14 0.00 -0.13 0.00 0.00 32.58 32.69 3iyj s HIS 116 CO 0.00 -0.21 1.59 -1.00 -2.47 0.00 0.00 174.74 172.65 3iyj h PRO 117 N 4.01 -0.78 -3.34 2.88 0.13 -1.89 -2.69 132.00 130.32 3iyj h PRO 117 Ca -0.28 0.05 -0.62 0.00 -0.87 0.00 0.00 66.00 64.29 3iyj h PRO 117 Cb 1.18 0.18 -0.40 0.00 0.13 0.00 0.00 31.00 32.08 3iyj h PRO 117 CO 0.12 -0.52 -0.71 0.95 -0.23 0.00 0.00 178.00 177.61 3iyj s THR 118 N -5.93 1.71 0.64 1.56 -4.23 -1.26 -3.32 115.64 104.81 3iyj s THR 118 Ca -0.17 -2.56 -0.07 0.00 -1.18 0.00 0.00 61.69 57.71 3iyj s THR 118 Cb 0.06 -2.21 0.03 0.00 1.34 0.00 0.00 72.50 71.71 3iyj s THR 118 CO 0.62 -0.81 0.96 0.12 -0.54 0.00 0.00 174.62 174.97 3iyj s PHE 119 N 0.43 3.16 -0.77 3.99 5.36 -0.63 -4.59 117.98 124.93 3iyj s PHE 119 Ca 0.16 0.64 -0.05 0.00 -0.96 0.00 0.00 56.93 56.72 3iyj s PHE 119 Cb -0.23 -2.92 0.20 0.00 -0.34 0.00 0.00 43.02 39.72 3iyj s PHE 119 CO -0.04 -1.05 0.64 1.21 -1.46 0.00 0.00 175.22 174.52 3iyj s ASN 120 N -4.38 5.82 -0.23 6.13 2.47 -0.15 -3.01 114.94 121.59 3iyj s ASN 120 Ca 0.56 -3.15 -0.04 0.00 0.42 0.00 0.00 52.86 50.66 3iyj s ASN 120 Cb -0.11 -1.95 0.08 0.00 -1.45 0.00 0.00 41.25 37.83 3iyj s ASN 120 CO 0.46 -0.34 0.10 0.00 -3.72 0.00 0.00 177.10 173.60 3iyj s ALA 121 N -0.50 0.66 0.08 1.71 0.00 -1.26 -4.37 121.76 118.08 3iyj s ALA 121 Ca 0.21 -0.78 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 3iyj s ALA 121 Cb -0.14 -1.24 -0.10 0.00 0.00 0.00 0.00 23.12 21.64 3iyj s ALA 121 CO -0.07 -1.41 1.43 -0.07 0.00 0.00 0.00 175.76 175.63 3iyj h LEU 122 N 8.37 0.57 -7.86 0.00 3.38 -0.99 -3.45 115.31 115.33 3iyj h LEU 122 Ca -0.17 -0.43 0.08 0.00 0.09 0.00 0.00 57.88 57.45 3iyj h LEU 122 Cb 1.08 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 3iyj h LEU 122 CO 0.37 0.88 0.27 -0.76 0.09 0.00 0.00 178.44 179.30 3iyj s LEU 123 N -9.14 -0.27 0.00 1.67 1.43 -1.26 -5.01 118.68 106.10 3iyj s LEU 123 Ca -0.13 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.46 3iyj s LEU 123 Cb 0.07 2.62 -0.01 0.00 0.03 0.00 0.00 46.19 48.90 3iyj s LEU 123 CO 0.79 -1.24 0.07 -0.90 0.23 0.00 0.00 176.35 175.30 3iyj n ASP 124 N -0.45 1.02 -3.65 2.29 5.75 -1.26 -2.28 116.55 117.97 3iyj n ASP 124 Ca -0.05 -2.06 -0.41 0.00 -0.01 0.00 0.00 54.79 52.26 3iyj n ASP 124 Cb 0.60 0.51 -0.01 0.00 -1.03 0.00 0.00 41.12 41.20 3iyj n ASP 124 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iyj n ALA 125 N -2.05 6.06 -2.74 2.12 0.00 -1.16 -4.92 120.51 117.83 3iyj n ALA 125 Ca -0.08 -3.94 -0.28 0.00 0.00 0.00 0.00 53.44 49.14 3iyj n ALA 125 Cb 0.30 -3.28 -0.16 0.00 0.00 0.00 0.00 19.45 16.31 3iyj n ALA 125 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3iyj s GLU 126 N 1.80 1.98 0.09 0.00 2.56 -1.26 -5.01 118.70 118.86 3iyj s GLU 126 Ca 0.51 -0.73 0.18 0.00 0.00 0.00 0.00 54.97 54.93 3iyj s GLU 126 Cb 0.14 -1.75 -0.11 0.00 2.00 0.00 0.00 34.13 34.41 3iyj s GLU 126 CO -0.06 0.33 0.85 0.09 -0.56 0.00 0.00 175.26 175.91 3iyj n ASN 127 N 2.95 0.81 -1.10 -1.70 4.13 -1.26 -4.19 115.26 114.90 3iyj n ASN 127 Ca -0.17 0.34 0.10 0.00 1.68 0.00 0.00 54.58 56.53 3iyj n ASN 127 Cb 0.53 0.31 0.24 0.00 -1.54 0.00 0.00 39.78 39.32 3iyj n ASN 127 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3iyj n VAL 128 N -2.81 0.82 -2.51 2.41 0.31 -1.26 -4.97 118.33 110.32 3iyj n VAL 128 Ca -0.07 -0.91 -0.39 0.00 -0.01 0.00 0.00 64.34 62.95 3iyj n VAL 128 Cb 0.76 0.66 -0.04 0.00 -0.91 0.00 0.00 33.84 34.31 3iyj n VAL 128 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3iyj s ASN 129 N -1.12 7.15 1.02 4.52 4.22 -1.26 -5.00 114.94 124.47 3iyj s ASN 129 Ca 0.39 2.18 -0.16 0.00 -2.14 0.00 0.00 52.86 53.13 3iyj s ASN 129 Cb 0.21 -2.61 0.04 0.00 1.28 0.00 0.00 41.25 40.17 3iyj s ASN 129 CO 0.28 -0.22 0.07 -1.14 -2.04 0.00 0.00 177.10 174.05 3iyj n ARG 130 N 0.85 -0.78 -2.13 3.55 0.63 -1.26 -4.91 116.66 112.62 3iyj n ARG 130 Ca 0.01 -0.20 -0.39 0.00 -0.92 0.00 0.00 57.85 56.35 3iyj n ARG 130 Cb 0.46 -1.70 -0.01 0.00 0.45 0.00 0.00 32.46 31.67 3iyj n ARG 130 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3iyj s LYS 131 N -3.37 3.93 -0.22 -0.14 1.02 -1.26 -4.91 119.74 114.78 3iyj s LYS 131 Ca 0.54 2.02 -0.30 0.00 0.02 0.00 0.00 55.97 58.25 3iyj s LYS 131 Cb -0.16 -2.67 -0.07 0.00 -0.52 0.00 0.00 37.83 34.41 3iyj s LYS 131 CO 0.68 -0.48 2.17 0.28 -0.92 0.00 0.00 175.35 177.07 3iyj n VAL 132 N -0.01 0.36 -2.46 3.17 0.31 -1.26 -4.96 118.33 113.49 3iyj n VAL 132 Ca 0.05 -0.36 -0.38 0.00 -0.01 0.00 0.00 64.34 63.64 3iyj n VAL 132 Cb 0.45 -2.28 -0.04 0.00 -0.91 0.00 0.00 33.84 31.07 3iyj n VAL 132 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3iyj s THR 133 N 7.43 3.50 0.44 2.52 2.01 -1.26 -4.95 115.64 125.34 3iyj s THR 133 Ca 1.01 1.28 -0.23 0.00 0.31 0.00 0.00 61.69 64.07 3iyj s THR 133 Cb -0.50 -3.73 -0.11 0.00 0.01 0.00 0.00 72.50 68.18 3iyj s THR 133 CO 0.40 0.13 0.79 0.41 -0.69 0.00 0.00 174.62 175.67 3iyj n THR 134 N 0.34 2.29 -1.76 -0.82 -1.04 -1.26 -4.77 114.28 107.27 3iyj n THR 134 Ca 0.03 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.12 3iyj n THR 134 Cb 0.47 -0.88 -0.03 0.00 -1.82 0.00 0.00 70.33 68.07 3iyj n THR 134 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3iyj s GLN 135 N -1.91 4.14 0.60 -2.82 -0.21 -1.26 -4.98 119.66 113.21 3iyj s GLN 135 Ca 0.65 2.57 -0.10 0.00 0.02 0.00 0.00 55.36 58.50 3iyj s GLN 135 Cb -0.56 -3.21 0.14 0.00 1.00 0.00 0.00 33.01 30.37 3iyj s GLN 135 CO 0.56 -0.76 0.81 2.41 -2.12 0.00 0.00 175.29 176.20 3iyj n THR 136 N 4.17 0.00 -0.30 -0.19 -1.04 -1.26 -4.92 114.28 110.75 3iyj n THR 136 Ca 0.16 -0.61 0.02 0.00 -2.04 0.00 0.00 64.05 61.58 3iyj n THR 136 Cb 0.36 -1.68 0.22 0.00 -1.82 0.00 0.00 70.33 67.41 3iyj n THR 136 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3iyj h THR 137 N -1.45 1.13 -3.96 12.58 2.02 -2.04 -3.41 112.91 117.78 3iyj h THR 137 Ca -0.26 -0.37 -0.28 0.00 0.77 0.00 0.00 66.41 66.26 3iyj h THR 137 Cb 0.73 -0.05 -0.23 0.00 -1.74 0.00 0.00 68.15 66.86 3iyj h THR 137 CO 0.19 0.20 -0.74 -0.62 0.37 0.00 0.00 175.52 174.92 3iyj s ASP 138 N -6.11 0.82 0.00 4.18 -1.08 -1.26 -5.01 116.67 108.20 3iyj s ASP 138 Ca -0.12 -0.47 0.00 0.00 -0.52 0.00 0.00 52.55 51.45 3iyj s ASP 138 Cb 0.19 0.02 0.00 0.00 -1.46 0.00 0.00 42.92 41.67 3iyj s ASP 138 CO 0.80 -0.16 0.10 0.47 0.52 0.00 0.00 175.17 176.91 3iyj n ASP 139 N 1.73 0.21 -4.63 -0.34 8.00 -1.26 -5.09 116.55 115.16 3iyj n ASP 139 Ca -0.21 -0.92 -0.32 0.00 0.71 0.00 0.00 54.79 54.06 3iyj n ASP 139 Cb 0.55 0.02 0.16 0.00 -0.02 0.00 0.00 41.12 41.83 3iyj n ASP 139 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3iyj n ARG 140 N -0.02 -0.35 -3.98 -1.24 1.74 -1.26 -4.63 116.66 106.93 3iyj n ARG 140 Ca 0.00 -0.04 -0.11 0.00 -0.77 0.00 0.00 57.85 56.93 3iyj n ARG 140 Cb 0.18 -2.30 -0.03 0.00 -1.02 0.00 0.00 32.46 29.28 3iyj n ARG 140 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3iyj s LYS 141 N -4.40 1.84 0.01 5.56 1.02 -1.16 -4.88 119.74 117.73 3iyj s LYS 141 Ca 0.66 -1.45 -0.29 0.00 0.02 0.00 0.00 55.97 54.90 3iyj s LYS 141 Cb -0.24 0.51 -0.04 0.00 -0.52 0.00 0.00 37.83 37.54 3iyj s LYS 141 CO 0.59 -0.80 0.95 -1.14 -0.92 0.00 0.00 175.35 174.03 3iyj s GLN 142 N -3.29 4.57 -0.11 1.68 0.74 -1.21 -1.61 119.66 120.43 3iyj s GLN 142 Ca 0.23 1.38 0.03 0.00 0.05 0.00 0.00 55.36 57.06 3iyj s GLN 142 Cb -0.02 -3.44 0.00 0.00 1.10 0.00 0.00 33.01 30.65 3iyj s GLN 142 CO 0.13 0.01 -0.22 0.99 -0.55 0.00 0.00 175.29 175.65 3iyj s THR 143 N 0.82 1.96 0.13 -0.34 2.01 -1.01 -4.96 115.64 114.24 3iyj s THR 143 Ca 0.50 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 61.48 3iyj s THR 143 Cb -0.21 -1.71 -0.06 0.00 0.01 0.00 0.00 72.50 70.53 3iyj s THR 143 CO 0.28 0.54 0.40 -0.83 -0.69 0.00 0.00 174.62 174.31 3iyj s GLY 144 N 0.52 2.27 -0.29 4.40 0.00 -1.26 -2.40 107.32 110.56 3iyj s GLY 144 Ca -0.15 -0.47 0.03 0.00 0.00 0.00 0.00 44.72 44.12 3iyj s GLY 144 CO 0.05 -0.34 0.54 -2.27 0.00 0.00 0.00 173.10 171.08 3iyj s LEU 145 N -2.41 -1.34 0.28 0.66 2.96 -0.21 -4.96 118.68 113.66 3iyj s LEU 145 Ca 0.39 0.27 -0.29 0.00 -0.22 0.00 0.00 54.13 54.27 3iyj s LEU 145 Cb -0.13 1.83 -0.10 0.00 0.50 0.00 0.00 46.19 48.30 3iyj s LEU 145 CO 0.22 -0.30 1.22 1.51 -1.32 0.00 0.00 176.35 177.67 3iyj s ASP 146 N 2.76 7.01 0.91 3.68 -4.77 -1.26 -2.51 116.67 122.49 3iyj s ASP 146 Ca 0.13 2.45 -0.13 0.00 -3.30 0.00 0.00 52.55 51.70 3iyj s ASP 146 Cb -0.12 -2.63 0.05 0.00 -1.09 0.00 0.00 42.92 39.13 3iyj s ASP 146 CO -0.25 -0.36 0.63 0.00 0.70 0.00 0.00 175.17 175.89 3iyj n ALA 147 N 1.34 -1.92 -3.24 2.11 0.00 -0.58 -4.47 120.51 113.76 3iyj n ALA 147 Ca 0.01 -0.53 -0.45 0.00 0.00 0.00 0.00 53.44 52.46 3iyj n ALA 147 Cb 0.43 -1.92 -0.00 0.00 0.00 0.00 0.00 19.45 17.96 3iyj n ALA 147 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3iyj s LYS 148 N -3.77 4.12 0.11 0.00 2.36 -1.26 -1.55 119.74 119.75 3iyj s LYS 148 Ca 0.61 -2.99 -0.36 0.00 -2.55 0.00 0.00 55.97 50.69 3iyj s LYS 148 Cb -0.24 -4.67 -0.16 0.00 -1.05 0.00 0.00 37.83 31.71 3iyj s LYS 148 CO 0.63 -1.37 1.32 0.94 1.55 0.00 0.00 175.35 178.42 3iyj n GLN 149 N 3.54 1.24 -3.70 4.03 7.27 -1.25 -4.86 117.38 123.66 3iyj n GLN 149 Ca 0.26 0.45 -0.10 0.00 0.07 0.00 0.00 57.00 57.68 3iyj n GLN 149 Cb 0.41 -2.07 -0.03 0.00 2.41 0.00 0.00 30.24 30.96 3iyj n GLN 149 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 3iyj s GLN 150 N 0.31 1.43 -0.10 3.69 0.74 -1.26 -1.95 119.66 122.52 3iyj s GLN 150 Ca 0.81 -0.81 -0.05 0.00 0.05 0.00 0.00 55.36 55.36 3iyj s GLN 150 Cb -0.91 0.55 0.04 0.00 1.10 0.00 0.00 33.01 33.80 3iyj s GLN 150 CO 0.47 -0.62 0.24 -0.65 -0.55 0.00 0.00 175.29 174.18 3iyj s GLN 151 N -3.86 0.20 -0.05 1.67 -0.21 0.02 -2.68 119.66 114.75 3iyj s GLN 151 Ca 0.08 0.51 0.00 0.00 0.02 0.00 0.00 55.36 55.97 3iyj s GLN 151 Cb -0.02 -0.11 0.02 0.00 1.00 0.00 0.00 33.01 33.90 3iyj s GLN 151 CO -0.03 -0.16 -0.03 0.42 -2.12 0.00 0.00 175.29 173.37 3iyj s ILE 152 N 1.20 0.49 -0.04 1.08 1.01 0.37 -2.51 121.20 122.80 3iyj s ILE 152 Ca -0.09 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.52 3iyj s ILE 152 Cb -0.10 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 41.84 3iyj s ILE 152 CO -0.08 0.23 -0.07 -0.22 0.00 0.00 0.00 174.94 174.80 3iyj s LEU 153 N 1.16 1.51 -0.26 2.97 2.96 -0.91 0.16 118.68 126.27 3iyj s LEU 153 Ca -0.07 -0.17 -0.13 0.00 -0.22 0.00 0.00 54.13 53.54 3iyj s LEU 153 Cb -0.14 -0.53 0.08 0.00 0.50 0.00 0.00 46.19 46.11 3iyj s LEU 153 CO -0.01 -0.01 0.62 -1.48 -1.32 0.00 0.00 176.35 174.14 3iyj s LEU 154 N 0.67 -0.81 -0.04 -0.68 0.05 -0.30 -1.76 118.68 115.82 3iyj s LEU 154 Ca -0.10 1.38 -0.01 0.00 0.05 0.00 0.00 54.13 55.45 3iyj s LEU 154 Cb -0.13 2.12 -0.04 0.00 -2.05 0.00 0.00 46.19 46.09 3iyj s LEU 154 CO 0.01 -0.23 0.07 -0.22 -0.55 0.00 0.00 176.35 175.43 3iyj s LEU 155 N 1.86 3.88 0.00 1.48 2.96 -1.24 -1.15 118.68 126.48 3iyj s LEU 155 Ca -0.09 0.18 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 3iyj s LEU 155 Cb -0.07 -2.14 0.00 0.00 0.50 0.00 0.00 46.19 44.47 3iyj s LEU 155 CO -0.18 0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.77 3iyj n GLY 156 N 1.50 1.39 0.13 7.98 0.00 -0.86 0.22 105.19 115.55 3iyj n GLY 156 Ca -0.15 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 3iyj n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyj s THR 158 N -2.51 3.86 0.34 0.00 2.01 -0.99 -4.47 115.64 113.88 3iyj s THR 158 Ca -0.33 -1.27 -0.28 0.00 0.31 0.00 0.00 61.69 60.12 3iyj s THR 158 Cb 0.10 -2.91 -0.12 0.00 0.01 0.00 0.00 72.50 69.57 3iyj s THR 158 CO 0.61 -0.04 1.26 -0.81 -0.69 0.00 0.00 174.62 174.94 3iyj n PRO 159 N 0.07 2.04 -2.08 4.92 -0.04 -1.26 -4.54 135.00 134.10 3iyj n PRO 159 Ca -0.10 0.71 -0.38 0.00 -0.04 0.00 0.00 63.50 63.70 3iyj n PRO 159 Cb 0.54 -2.28 0.01 0.00 -0.04 0.00 0.00 33.50 31.73 3iyj n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iyj s ALA 160 N -1.10 2.93 -0.11 0.55 0.00 -1.26 -4.82 121.76 117.95 3iyj s ALA 160 Ca 0.56 1.08 -0.06 0.00 0.00 0.00 0.00 51.96 53.55 3iyj s ALA 160 Cb -0.58 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.05 3iyj s ALA 160 CO 0.62 -0.91 0.11 -1.21 0.00 0.00 0.00 175.76 174.36 3iyj s GLU 161 N -2.76 3.32 0.35 0.00 2.02 -1.26 -0.60 118.70 119.77 3iyj s GLU 161 Ca 0.66 -0.21 0.07 0.00 0.02 0.00 0.00 54.97 55.52 3iyj s GLU 161 Cb -0.33 -3.09 -0.07 0.00 0.10 0.00 0.00 34.13 30.74 3iyj s GLU 161 CO 0.40 0.76 -0.04 0.20 0.02 0.00 0.00 175.26 176.60 3iyj s GLY 162 N -1.03 2.20 0.17 -1.39 0.00 0.37 -2.46 107.32 105.18 3iyj s GLY 162 Ca 0.15 -2.11 0.06 0.00 0.00 0.00 0.00 44.72 42.82 3iyj s GLY 162 CO 0.04 -1.98 -0.13 -1.83 0.00 0.00 0.00 173.10 169.20 3iyj s GLU 163 N -3.70 1.20 0.14 2.90 -1.05 -1.04 -1.93 118.70 115.21 3iyj s GLU 163 Ca 0.33 -1.49 -0.25 0.00 -0.15 0.00 0.00 54.97 53.41 3iyj s GLU 163 Cb 0.06 -0.92 0.07 0.00 -0.44 0.00 0.00 34.13 32.89 3iyj s GLU 163 CO 0.16 0.15 0.92 1.52 0.95 0.00 0.00 175.26 178.95 3iyj s TYR 164 N -2.97 -0.18 -0.04 4.83 -0.00 -0.97 -3.19 117.35 114.83 3iyj s TYR 164 Ca 0.19 -0.10 0.01 0.00 -0.00 0.00 0.00 57.07 57.16 3iyj s TYR 164 Cb -0.00 0.62 -0.03 0.00 -0.00 0.00 0.00 41.96 42.55 3iyj s TYR 164 CO 0.04 -0.81 -0.02 -1.58 -0.00 0.00 0.00 175.55 173.18 3iyj s TRP 165 N -3.32 3.04 0.31 -3.49 0.52 0.29 -1.88 118.94 114.41 3iyj s TRP 165 Ca 0.11 0.08 0.05 0.00 0.02 0.00 0.00 56.10 56.36 3iyj s TRP 165 Cb -0.02 -1.71 -0.02 0.00 -1.15 0.00 0.00 33.47 30.58 3iyj s TRP 165 CO 0.00 0.42 0.30 0.25 0.02 0.00 0.00 176.95 177.94 3iyj n THR 166 N 1.83 0.00 -3.51 2.01 -2.24 -0.91 -3.17 114.28 108.29 3iyj n THR 166 Ca -0.17 -2.11 -0.38 0.00 -2.27 0.00 0.00 64.05 59.12 3iyj n THR 166 Cb 0.53 1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 69.76 3iyj n THR 166 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3iyj s THR 167 N -3.15 5.26 0.08 4.28 2.01 -1.26 -1.66 115.64 121.20 3iyj s THR 167 Ca 0.35 0.38 -0.23 0.00 0.31 0.00 0.00 61.69 62.49 3iyj s THR 167 Cb 0.01 -3.61 -0.07 0.00 0.01 0.00 0.00 72.50 68.85 3iyj s THR 167 CO 0.25 0.24 0.69 0.00 -0.69 0.00 0.00 174.62 175.10 3iyj s ALA 168 N 1.67 3.47 -0.02 7.40 0.00 -1.19 -4.93 121.76 128.16 3iyj s ALA 168 Ca 0.11 0.20 -0.39 0.00 0.00 0.00 0.00 51.96 51.89 3iyj s ALA 168 Cb -0.15 -2.85 -0.18 0.00 0.00 0.00 0.00 23.12 19.94 3iyj s ALA 168 CO 0.09 0.24 1.32 2.89 0.00 0.00 0.00 175.76 180.30 3iyj n ARG 169 N 2.12 0.72 -2.19 0.00 -4.01 -1.26 -4.55 116.66 107.48 3iyj n ARG 169 Ca -0.06 0.26 -0.33 0.00 -1.04 0.00 0.00 57.85 56.67 3iyj n ARG 169 Cb 0.50 -1.85 -0.00 0.00 -3.04 0.00 0.00 32.46 28.07 3iyj n ARG 169 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 3iyj s PRO 170 N 0.84 3.41 0.75 2.89 0.04 -1.26 -5.03 135.00 136.64 3iyj s PRO 170 Ca 0.89 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 63.15 3iyj s PRO 170 Cb -1.10 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 31.45 3iyj s PRO 170 CO 0.54 -0.75 1.08 0.00 0.04 0.00 0.00 177.00 177.91 3iyj h VAL 172 N -0.95 1.24 -1.02 0.00 2.07 -2.05 -3.42 116.25 112.11 3iyj h VAL 172 Ca -0.45 -0.57 -0.77 0.00 0.82 0.00 0.00 66.70 65.72 3iyj h VAL 172 Cb 1.24 0.13 0.06 0.00 -1.52 0.00 0.00 31.29 31.19 3iyj h VAL 172 CO 0.57 0.26 0.01 1.07 0.02 0.00 0.00 177.57 179.50 3iyj n THR 173 N -4.42 0.20 -3.90 2.57 5.66 -1.26 -4.87 114.28 108.26 3iyj n THR 173 Ca 0.08 -0.05 -0.34 0.00 -3.05 0.00 0.00 64.05 60.69 3iyj n THR 173 Cb 0.08 -0.03 -0.13 0.00 -1.55 0.00 0.00 70.33 68.70 3iyj n THR 173 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3iyj s ASP 174 N -0.08 4.94 -0.02 1.09 -1.08 -1.26 -4.76 116.67 115.49 3iyj s ASP 174 Ca 0.88 -1.68 0.03 0.00 -0.52 0.00 0.00 52.55 51.26 3iyj s ASP 174 Cb -1.23 -1.72 0.04 0.00 -1.46 0.00 0.00 42.92 38.56 3iyj s ASP 174 CO 0.57 -0.36 0.92 0.54 0.52 0.00 0.00 175.17 177.35 3iyj n ARG 175 N 4.53 0.36 -1.60 4.34 5.12 -1.26 -5.11 116.66 123.04 3iyj n ARG 175 Ca -0.07 -1.17 -0.33 0.00 -1.93 0.00 0.00 57.85 54.35 3iyj n ARG 175 Cb 0.42 -0.68 0.07 0.00 -1.16 0.00 0.00 32.46 31.11 3iyj n ARG 175 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3iyj s LEU 176 N -0.50 3.33 0.29 0.55 1.43 -1.26 -5.08 118.68 117.44 3iyj s LEU 176 Ca 0.05 2.11 0.02 0.00 -1.03 0.00 0.00 54.13 55.28 3iyj s LEU 176 Cb 0.04 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.68 3iyj s LEU 176 CO 0.00 -1.90 0.28 -1.61 0.23 0.00 0.00 176.35 173.36 3iyj s GLU 177 N -4.09 1.62 0.05 1.70 2.02 -1.26 -5.06 118.70 113.68 3iyj s GLU 177 Ca 0.69 -1.83 -0.15 0.00 0.02 0.00 0.00 54.97 53.70 3iyj s GLU 177 Cb -0.23 0.34 -0.28 0.00 0.10 0.00 0.00 34.13 34.06 3iyj s GLU 177 CO 0.44 -0.60 1.11 -0.91 0.02 0.00 0.00 175.26 175.32 3iyj h ASN 178 N 2.27 0.87 -0.36 -0.19 2.35 -2.05 -3.28 115.58 115.19 3iyj h ASN 178 Ca -0.29 -0.81 0.00 0.00 -0.55 0.00 0.00 56.30 54.66 3iyj h ASN 178 Cb 1.24 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.34 3iyj h ASN 178 CO 0.41 1.58 0.00 0.61 -1.65 0.00 0.00 177.43 178.38 3iyj n GLY 179 N 1.31 0.82 3.77 2.83 0.00 -1.26 -4.95 105.19 107.71 3iyj n GLY 179 Ca -0.13 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 3iyj n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyj s ALA 180 N -1.52 3.61 0.30 4.61 0.00 -1.24 -4.93 121.76 122.59 3iyj s ALA 180 Ca 0.29 1.48 -0.29 0.00 0.00 0.00 0.00 51.96 53.44 3iyj s ALA 180 Cb 0.15 -3.59 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 3iyj s ALA 180 CO 0.21 -0.92 1.34 0.00 0.00 0.00 0.00 175.76 176.38 3iyj s PRO 182 N -1.27 3.96 0.78 0.00 0.04 -1.26 -5.03 135.00 132.22 3iyj s PRO 182 Ca 0.52 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 3iyj s PRO 182 Cb -0.40 -2.49 0.06 0.00 0.04 0.00 0.00 34.50 31.71 3iyj s PRO 182 CO 0.49 -0.36 1.08 -2.14 0.04 0.00 0.00 177.00 176.12 3iyj s PRO 183 N -2.57 2.21 0.22 0.56 0.02 -1.26 -4.99 135.00 129.18 3iyj s PRO 183 Ca 0.60 0.98 0.07 0.00 0.02 0.00 0.00 61.00 62.68 3iyj s PRO 183 Cb -0.26 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.31 3iyj s PRO 183 CO 0.32 -1.62 -0.12 -0.51 -0.33 0.00 0.00 177.00 174.74 3iyj s LEU 184 N -5.87 2.53 -0.09 -5.54 1.43 -1.26 -3.14 118.68 106.74 3iyj s LEU 184 Ca 0.61 -1.06 -0.31 0.00 -1.03 0.00 0.00 54.13 52.34 3iyj s LEU 184 Cb -0.16 -0.63 0.09 0.00 0.03 0.00 0.00 46.19 45.52 3iyj s LEU 184 CO 0.56 -0.22 0.79 -0.70 0.23 0.00 0.00 176.35 177.00 3iyj s GLU 185 N -3.67 0.90 0.31 1.70 2.12 -0.67 -4.69 118.70 114.70 3iyj s GLU 185 Ca 0.24 0.21 -0.22 0.00 0.36 0.00 0.00 54.97 55.56 3iyj s GLU 185 Cb 0.00 0.42 -0.09 0.00 0.26 0.00 0.00 34.13 34.73 3iyj s GLU 185 CO 0.07 -0.28 0.85 -1.17 -0.54 0.00 0.00 175.26 174.19 3iyj s LEU 186 N -1.17 4.24 -0.01 2.70 2.96 -1.26 -2.14 118.68 123.99 3iyj s LEU 186 Ca -0.08 1.61 -0.06 0.00 -0.22 0.00 0.00 54.13 55.38 3iyj s LEU 186 Cb -0.00 -3.97 0.00 0.00 0.50 0.00 0.00 46.19 42.72 3iyj s LEU 186 CO 0.07 -0.10 0.13 -0.54 -1.32 0.00 0.00 176.35 174.59 3iyj s LYS 187 N -2.33 0.37 0.28 1.98 1.02 -0.79 -4.97 119.74 115.31 3iyj s LYS 187 Ca 0.50 -0.22 0.06 0.00 0.02 0.00 0.00 55.97 56.33 3iyj s LYS 187 Cb -0.15 0.16 -0.02 0.00 -0.52 0.00 0.00 37.83 37.29 3iyj s LYS 187 CO 0.20 -0.08 0.39 -0.80 -0.92 0.00 0.00 175.35 174.14 3iyj s ASN 188 N -0.92 6.05 0.04 2.83 -0.87 -1.26 -2.30 114.94 118.53 3iyj s ASN 188 Ca -0.10 -0.09 -0.28 0.00 -1.57 0.00 0.00 52.86 50.82 3iyj s ASN 188 Cb -0.06 -1.52 0.09 0.00 -0.02 0.00 0.00 41.25 39.74 3iyj s ASN 188 CO 0.01 -0.23 0.97 -0.75 -2.57 0.00 0.00 177.10 174.54 3iyj s LYS 189 N -4.05 0.90 0.46 -0.60 2.20 -0.81 -4.97 119.74 112.87 3iyj s LYS 189 Ca 0.39 -0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 55.57 3iyj s LYS 189 Cb -0.09 0.35 -0.00 0.00 -1.51 0.00 0.00 37.83 36.58 3iyj s LYS 189 CO 0.29 -0.40 0.69 -1.01 -0.36 0.00 0.00 175.35 174.57 3iyj s HIS 190 N -3.08 3.25 -0.28 4.03 3.76 -1.26 -0.47 115.29 121.24 3iyj s HIS 190 Ca 0.09 0.30 -0.16 0.00 -0.15 0.00 0.00 55.06 55.14 3iyj s HIS 190 Cb -0.01 -2.34 -0.03 0.00 1.11 0.00 0.00 32.58 31.31 3iyj s HIS 190 CO -0.04 -0.39 0.44 0.42 -0.85 0.00 0.00 174.74 174.33 3iyj s ILE 191 N -2.60 5.11 0.08 0.60 1.01 0.23 -4.76 121.20 120.88 3iyj s ILE 191 Ca 0.49 0.64 0.01 0.00 0.00 0.00 0.00 60.65 61.78 3iyj s ILE 191 Cb -0.10 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.60 3iyj s ILE 191 CO 0.39 0.07 0.11 -0.62 0.00 0.00 0.00 174.94 174.89 3iyj n GLU 192 N 5.46 0.77 -0.07 2.79 1.02 -1.26 -4.70 120.64 124.65 3iyj n GLU 192 Ca -0.06 -0.36 -0.13 0.00 -0.02 0.00 0.00 57.16 56.58 3iyj n GLU 192 Cb 0.50 -0.05 -0.02 0.00 -0.02 0.00 0.00 31.44 31.85 3iyj n GLU 192 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 3iyj h ASP 193 N -0.02 0.92 -2.09 1.62 1.82 -1.71 -3.36 116.42 113.59 3iyj h ASP 193 Ca -0.04 -0.48 -0.70 0.00 -0.39 0.00 0.00 57.03 55.43 3iyj h ASP 193 Cb 0.15 -0.26 -0.34 0.00 0.68 0.00 0.00 39.33 39.56 3iyj h ASP 193 CO 0.05 1.26 0.22 0.61 -1.61 0.00 0.00 179.24 179.77 3iyj n GLY 194 N 0.29 5.85 3.96 -0.78 0.00 -1.26 -4.31 105.19 108.94 3iyj n GLY 194 Ca -0.04 -2.66 -0.19 0.00 0.00 0.00 0.00 46.02 43.13 3iyj n GLY 194 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iyj s ASP 195 N -2.33 5.77 -0.02 1.61 1.01 -1.26 -4.97 116.67 116.47 3iyj s ASP 195 Ca 0.46 -0.30 -0.14 0.00 0.71 0.00 0.00 52.55 53.28 3iyj s ASP 195 Cb 0.30 -1.08 -0.05 0.00 1.01 0.00 0.00 42.92 43.09 3iyj s ASP 195 CO -0.20 -0.47 0.38 -0.04 0.21 0.00 0.00 175.17 175.06 3iyj s MET 196 N -4.16 3.91 0.70 8.23 -1.94 -1.13 -2.75 119.30 122.16 3iyj s MET 196 Ca 0.46 0.35 -0.11 0.00 -1.71 0.00 0.00 55.69 54.68 3iyj s MET 196 Cb -0.09 -3.24 0.01 0.00 2.01 0.00 0.00 34.83 33.53 3iyj s MET 196 CO 0.30 0.66 1.08 1.41 -0.01 0.00 0.00 175.02 178.46 3iyj s MET 197 N -0.94 2.89 -0.50 2.03 1.75 -0.65 -2.42 119.30 121.46 3iyj s MET 197 Ca 0.23 0.63 -0.24 0.00 -1.25 0.00 0.00 55.69 55.06 3iyj s MET 197 Cb -0.16 -2.01 0.03 0.00 2.84 0.00 0.00 34.83 35.53 3iyj s MET 197 CO 0.12 -1.05 0.87 -2.00 -0.65 0.00 0.00 175.02 172.31 3iyj s GLU 198 N -5.24 3.38 -0.88 4.11 -6.30 -1.26 -4.75 118.70 107.76 3iyj s GLU 198 Ca 0.58 -0.16 -0.08 0.00 -2.50 0.00 0.00 54.97 52.81 3iyj s GLU 198 Cb -0.12 -3.99 0.22 0.00 0.00 0.00 0.00 34.13 30.24 3iyj s GLU 198 CO 0.53 -1.30 0.80 0.42 0.02 0.00 0.00 175.26 175.73 3iyj s ILE 199 N 3.63 5.07 0.00 -3.70 1.01 -1.26 -4.76 121.20 121.19 3iyj s ILE 199 Ca 0.31 -3.15 0.00 0.00 0.00 0.00 0.00 60.65 57.81 3iyj s ILE 199 Cb -0.12 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.22 3iyj s ILE 199 CO 0.21 -1.06 0.00 0.61 0.00 0.00 0.00 174.94 174.71 3iyj n GLY 200 N 3.15 1.28 3.44 6.18 0.00 -1.26 -4.90 105.19 113.08 3iyj n GLY 200 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3iyj n GLY 200 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iyj s PHE 201 N -0.43 2.32 0.84 1.61 0.08 -1.26 -4.83 117.98 116.30 3iyj s PHE 201 Ca 0.00 -0.35 -0.15 0.00 0.12 0.00 0.00 56.93 56.55 3iyj s PHE 201 Cb 0.00 -1.12 -0.03 0.00 -0.57 0.00 0.00 43.02 41.29 3iyj s PHE 201 CO 0.00 0.54 0.24 0.41 -0.10 0.00 0.00 175.22 176.31 3iyj n GLY 202 N 0.11 -2.29 3.67 4.36 0.00 -1.26 -4.91 105.19 104.86 3iyj n GLY 202 Ca -0.11 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 3iyj n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyj s ALA 203 N -2.12 3.52 -0.10 4.61 0.00 -1.26 -4.96 121.76 121.46 3iyj s ALA 203 Ca 0.58 -0.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.15 3iyj s ALA 203 Cb -0.28 -3.11 0.12 0.00 0.00 0.00 0.00 23.12 19.85 3iyj s ALA 203 CO 0.66 -0.59 0.98 0.00 0.00 0.00 0.00 175.76 176.81 3iyj s ALA 204 N 2.01 -1.91 -0.79 0.00 0.00 -1.23 0.10 121.76 119.94 3iyj s ALA 204 Ca 0.34 1.36 -0.26 0.00 0.00 0.00 0.00 51.96 53.40 3iyj s ALA 204 Cb -0.16 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.79 3iyj s ALA 204 CO 0.12 -0.50 1.42 0.54 0.00 0.00 0.00 175.76 177.34 3iyj s ASN 205 N -1.80 6.07 0.62 0.00 4.22 -1.19 -3.58 114.94 119.28 3iyj s ASN 205 Ca 0.03 -0.58 0.39 0.00 -2.14 0.00 0.00 52.86 50.56 3iyj s ASN 205 Cb -0.01 -2.56 1.99 0.00 1.28 0.00 0.00 41.25 41.95 3iyj s ASN 205 CO -0.04 -1.88 2.22 -0.26 -2.04 0.00 0.00 177.10 175.10 3iyj h PHE 206 N 10.67 0.00 -1.23 1.54 0.04 -1.90 -2.88 116.94 123.18 3iyj h PHE 206 Ca -0.15 0.00 0.35 0.00 2.80 0.00 0.00 57.97 60.97 3iyj h PHE 206 Cb 1.05 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.13 3iyj h PHE 206 CO 1.16 0.01 0.85 0.87 -0.60 0.00 0.00 178.31 180.60 3iyj h LYS 207 N 0.00 0.12 -0.27 1.51 1.57 -1.84 0.90 116.57 118.56 3iyj h LYS 207 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3iyj h LYS 207 Cb 0.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3iyj h LYS 207 CO 0.00 0.08 0.00 0.39 -0.57 0.00 0.00 179.45 179.35 3iyj n GLU 208 N -4.35 2.12 -0.05 3.15 1.02 -1.09 -4.49 120.64 116.95 3iyj n GLU 208 Ca 0.29 -1.97 -0.06 0.00 -0.02 0.00 0.00 57.16 55.39 3iyj n GLU 208 Cb 1.23 -1.40 -0.07 0.00 -0.02 0.00 0.00 31.44 31.18 3iyj n GLU 208 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3iyj n ILE 209 N 1.10 0.70 -3.42 -3.67 2.08 0.29 -4.84 119.36 111.60 3iyj n ILE 209 Ca 0.15 -0.37 -0.44 0.00 0.56 0.00 0.00 62.75 62.65 3iyj n ILE 209 Cb 0.50 -0.82 -0.07 0.00 -0.75 0.00 0.00 39.64 38.50 3iyj n ILE 209 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3iyj s ASN 210 N -4.61 6.00 0.00 4.38 3.84 0.35 -4.81 114.94 120.10 3iyj s ASN 210 Ca -0.10 -1.70 0.24 0.00 0.21 0.00 0.00 52.86 51.51 3iyj s ASN 210 Cb 0.04 -2.13 0.33 0.00 -0.55 0.00 0.00 41.25 38.93 3iyj s ASN 210 CO 0.36 -0.74 1.34 0.00 -2.79 0.00 0.00 177.10 175.27 3iyj n ALA 211 N 5.12 2.44 -0.05 1.71 0.00 -1.26 -4.29 120.51 124.17 3iyj n ALA 211 Ca -0.12 -0.87 -0.01 0.00 0.00 0.00 0.00 53.44 52.44 3iyj n ALA 211 Cb 0.41 -0.85 -0.14 0.00 0.00 0.00 0.00 19.45 18.88 3iyj n ALA 211 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3iyj n SER 212 N 1.45 0.85 0.00 0.00 7.64 -1.26 -4.98 113.62 117.31 3iyj n SER 212 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 3iyj n SER 212 Cb 0.61 1.30 0.00 0.00 -1.01 0.00 0.00 64.21 65.11 3iyj n SER 212 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3iyj n LYS 213 N -2.42 -0.03 -0.09 1.43 4.76 -1.26 -4.74 118.16 115.81 3iyj n LYS 213 Ca -0.17 0.01 0.05 0.00 -2.87 0.00 0.00 58.31 55.32 3iyj n LYS 213 Cb 0.81 -3.07 0.09 0.00 -1.84 0.00 0.00 35.03 31.02 3iyj n LYS 213 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3iyj n SER 214 N -0.02 2.40 -0.95 4.39 3.41 -1.26 -4.65 113.62 116.94 3iyj n SER 214 Ca 0.00 -1.77 0.12 0.00 -0.26 0.00 0.00 58.87 56.96 3iyj n SER 214 Cb 0.01 -0.12 0.22 0.00 -0.26 0.00 0.00 64.21 64.06 3iyj n SER 214 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3iyj n ASP 215 N 0.43 2.90 -4.16 4.04 9.92 -1.26 -0.98 116.55 127.43 3iyj n ASP 215 Ca 0.08 -1.92 -0.10 0.00 -0.53 0.00 0.00 54.79 52.32 3iyj n ASP 215 Cb 0.34 -0.12 -0.10 0.00 -0.64 0.00 0.00 41.12 40.59 3iyj n ASP 215 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3iyj s LEU 216 N -1.73 1.74 0.26 0.64 1.43 -1.26 -5.03 118.68 114.73 3iyj s LEU 216 Ca 0.34 -1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 51.92 3iyj s LEU 216 Cb 0.21 0.28 -0.09 0.00 0.03 0.00 0.00 46.19 46.62 3iyj s LEU 216 CO 0.31 -0.73 1.02 -2.84 0.23 0.00 0.00 176.35 174.34 3iyj s PRO 217 N -4.05 4.75 0.37 1.29 0.02 -1.26 -4.83 135.00 131.28 3iyj s PRO 217 Ca 0.26 1.65 0.10 0.00 0.02 0.00 0.00 61.00 63.03 3iyj s PRO 217 Cb 0.07 -3.23 0.87 0.00 0.02 0.00 0.00 34.50 32.23 3iyj s PRO 217 CO 0.03 0.36 1.87 1.25 -0.33 0.00 0.00 177.00 180.18 3iyj h LEU 218 N 3.99 0.60 -0.98 -5.54 5.85 -1.17 0.16 115.31 118.22 3iyj h LEU 218 Ca -0.46 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 3iyj h LEU 218 Cb 1.21 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 3iyj h LEU 218 CO 0.67 0.30 0.35 -2.24 -0.34 0.00 0.00 178.44 177.18 3iyj h ASP 219 N 0.64 0.98 0.26 1.25 2.03 -1.77 -3.26 116.42 116.54 3iyj h ASP 219 Ca 0.44 -0.12 -0.34 0.00 -0.73 0.00 0.00 57.03 56.29 3iyj h ASP 219 Cb 0.78 -0.25 0.02 0.00 -0.83 0.00 0.00 39.33 39.05 3iyj h ASP 219 CO -0.20 0.83 -1.59 -0.29 -1.03 0.00 0.00 179.24 176.97 3iyj h ILE 220 N 1.07 1.15 -1.68 4.15 -0.00 -0.97 -3.45 117.51 117.77 3iyj h ILE 220 Ca 0.26 -2.64 -0.63 0.00 -0.00 0.00 0.00 64.86 61.84 3iyj h ILE 220 Cb 0.12 2.92 0.14 0.00 -0.00 0.00 0.00 36.82 40.01 3iyj h ILE 220 CO -0.03 0.83 -0.69 1.67 -0.00 0.00 0.00 178.15 179.93 3iyj n GLN 221 N -3.65 0.17 -0.96 2.19 7.27 -0.97 -2.25 117.38 119.17 3iyj n GLN 221 Ca -0.20 0.06 0.00 0.00 0.07 0.00 0.00 57.00 56.93 3iyj n GLN 221 Cb 1.09 -1.14 0.00 0.00 2.41 0.00 0.00 30.24 32.60 3iyj n GLN 221 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 3iyj n ASN 222 N 1.99 -4.24 -4.31 1.69 5.15 -1.26 -4.96 115.26 109.32 3iyj n ASN 222 Ca 0.13 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 53.92 3iyj n ASN 222 Cb 0.36 -2.27 -0.11 0.00 -0.53 0.00 0.00 39.78 37.23 3iyj n ASN 222 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3iyj s GLU 223 N -1.17 1.22 -0.15 1.20 0.41 -0.96 -4.74 118.70 114.51 3iyj s GLU 223 Ca 0.00 -1.44 -0.20 0.00 -0.41 0.00 0.00 54.97 52.92 3iyj s GLU 223 Cb 0.00 -1.10 -0.03 0.00 -1.78 0.00 0.00 34.13 31.22 3iyj s GLU 223 CO 0.00 0.20 0.58 0.42 -0.49 0.00 0.00 175.26 175.97 3iyj s ILE 224 N -2.52 5.09 -0.39 -1.63 1.01 -1.26 -3.96 121.20 117.54 3iyj s ILE 224 Ca 0.17 1.12 -0.22 0.00 0.00 0.00 0.00 60.65 61.72 3iyj s ILE 224 Cb -0.03 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.55 3iyj s ILE 224 CO 0.05 0.21 0.75 0.00 0.00 0.00 0.00 174.94 175.96 3iyj n LEU 226 N 6.42 0.00 -3.49 0.00 4.77 -1.02 -3.47 117.00 120.22 3iyj n LEU 226 Ca 0.02 -1.79 -0.11 0.00 -0.03 0.00 0.00 56.01 54.09 3iyj n LEU 226 Cb 0.48 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3iyj n LEU 226 CO 0.54 -0.71 0.36 -0.47 -1.33 0.00 0.00 177.39 175.78 3iyj s TYR 227 N -1.84 -0.45 -0.30 -1.77 5.04 -1.19 -4.30 117.35 112.54 3iyj s TYR 227 Ca 0.47 0.20 -0.26 0.00 -2.44 0.00 0.00 57.07 55.03 3iyj s TYR 227 Cb -0.03 0.51 0.01 0.00 0.35 0.00 0.00 41.96 42.80 3iyj s TYR 227 CO 0.30 -0.85 0.94 -2.14 -1.34 0.00 0.00 175.55 172.46 3iyj s PRO 228 N -3.77 4.06 -1.38 4.97 0.02 -1.26 -2.51 135.00 135.13 3iyj s PRO 228 Ca 0.02 0.91 -0.11 0.00 0.02 0.00 0.00 61.00 61.84 3iyj s PRO 228 Cb -0.01 -3.71 0.10 0.00 0.02 0.00 0.00 34.50 30.89 3iyj s PRO 228 CO -0.11 -0.75 2.10 -3.47 -0.33 0.00 0.00 177.00 174.43 3iyj n ASP 229 N 6.48 4.76 -0.32 2.53 -0.08 -1.03 -4.74 116.55 124.15 3iyj n ASP 229 Ca 0.08 -2.97 0.20 0.00 -1.51 0.00 0.00 54.79 50.60 3iyj n ASP 229 Cb 0.47 -1.56 0.47 0.00 2.34 0.00 0.00 41.12 42.85 3iyj n ASP 229 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3iyj h TYR 230 N 5.79 0.72 -0.38 -0.67 -1.99 -1.91 -0.49 116.97 118.04 3iyj h TYR 230 Ca 0.50 0.02 0.05 0.00 2.00 0.00 0.00 58.73 61.30 3iyj h TYR 230 Cb 0.61 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 39.08 3iyj h TYR 230 CO 1.38 0.10 0.12 -0.07 -0.00 0.00 0.00 178.16 179.70 3iyj h LEU 231 N 0.46 0.12 -0.47 3.88 3.38 -1.99 -1.55 115.31 119.14 3iyj h LEU 231 Ca 0.58 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.58 3iyj h LEU 231 Cb 1.35 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 3iyj h LEU 231 CO -0.30 0.11 0.24 0.50 0.09 0.00 0.00 178.44 179.08 3iyj h LYS 232 N 0.27 0.67 -0.67 1.13 1.63 -1.50 -2.88 116.57 115.22 3iyj h LYS 232 Ca 0.17 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 3iyj h LYS 232 Cb 0.16 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.63 3iyj h LYS 232 CO -0.19 0.56 0.44 0.52 -3.45 0.00 0.00 179.45 177.33 3iyj h MET 233 N 0.62 0.89 0.00 1.90 2.86 -1.10 -1.51 114.93 118.59 3iyj h MET 233 Ca 0.16 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3iyj h MET 233 Cb 0.09 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.56 3iyj h MET 233 CO -0.02 0.60 0.00 0.00 1.06 0.00 0.00 176.91 178.55 3iyj n ALA 234 N -2.43 2.23 -0.10 6.32 0.00 -0.62 -3.74 120.51 122.17 3iyj n ALA 234 Ca 0.07 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 3iyj n ALA 234 Cb 0.04 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 17.93 3iyj n ALA 234 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3iyj n GLU 235 N -1.39 0.68 -1.68 0.00 2.13 -0.58 -4.96 120.64 114.85 3iyj n GLU 235 Ca 0.09 0.03 -0.46 0.00 0.66 0.00 0.00 57.16 57.49 3iyj n GLU 235 Cb 0.25 -1.54 -0.04 0.00 0.27 0.00 0.00 31.44 30.38 3iyj n GLU 235 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3iyj n ASP 236 N -2.84 3.32 0.11 4.31 8.00 -1.14 -4.89 116.55 123.43 3iyj n ASP 236 Ca -0.34 1.06 -0.13 0.00 0.71 0.00 0.00 54.79 56.10 3iyj n ASP 236 Cb 1.13 -1.45 -0.06 0.00 -0.02 0.00 0.00 41.12 40.73 3iyj n ASP 236 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iyj h ALA 237 N 6.63 -0.44 -0.20 2.24 0.00 -1.93 -2.95 119.26 122.62 3iyj h ALA 237 Ca -0.45 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.45 3iyj h ALA 237 Cb 1.25 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 3iyj h ALA 237 CO 0.91 -0.80 -0.43 0.00 0.00 0.00 0.00 179.25 178.92 3iyj h ALA 238 N 0.26 -0.75 0.00 0.00 0.00 -1.94 -3.26 119.26 113.56 3iyj h ALA 238 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iyj h ALA 238 Cb 0.50 0.97 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3iyj h ALA 238 CO -0.15 -0.93 0.00 0.41 0.00 0.00 0.00 179.25 178.58 3iyj n GLY 239 N -1.32 0.66 0.43 0.00 0.00 -1.11 -2.98 105.19 100.86 3iyj n GLY 239 Ca -0.04 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.23 3iyj n GLY 239 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3iyj h ASN 240 N 0.00 0.04 -0.77 1.61 4.21 -1.88 -1.38 115.58 117.41 3iyj h ASN 240 Ca 0.00 0.00 0.15 0.00 1.21 0.00 0.00 56.30 57.66 3iyj h ASN 240 Cb 0.00 -0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 37.10 3iyj h ASN 240 CO 0.00 0.02 0.32 0.28 -1.29 0.00 0.00 177.43 176.76 3iyj h SER 241 N 0.04 0.31 -2.64 5.81 0.02 -1.90 0.97 113.55 116.16 3iyj h SER 241 Ca 0.37 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.40 3iyj h SER 241 Cb 1.43 0.08 -0.24 0.00 0.14 0.00 0.00 62.40 63.81 3iyj h SER 241 CO -0.02 0.11 -0.22 0.00 -1.14 0.00 0.00 176.83 175.56 3iyj s MET 242 N -6.01 0.47 0.12 3.45 0.23 -0.52 -4.45 119.30 112.60 3iyj s MET 242 Ca -0.12 1.12 -0.14 0.00 -1.03 0.00 0.00 55.69 55.52 3iyj s MET 242 Cb 0.21 0.35 -0.03 0.00 -1.53 0.00 0.00 34.83 33.82 3iyj s MET 242 CO 0.77 -0.20 1.53 0.74 -2.03 0.00 0.00 175.02 175.82 3iyj h PHE 243 N 7.67 0.83 -2.56 3.16 0.04 0.25 -3.43 116.94 122.91 3iyj h PHE 243 Ca -0.24 -0.18 0.01 0.00 2.80 0.00 0.00 57.97 60.36 3iyj h PHE 243 Cb 1.15 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.09 3iyj h PHE 243 CO 0.20 0.88 0.22 1.97 -0.60 0.00 0.00 178.31 180.99 3iyj n PHE 244 N -4.36 -1.73 -3.65 -0.55 1.16 -1.24 -3.24 117.46 103.85 3iyj n PHE 244 Ca -0.01 -1.14 -0.02 0.00 -1.87 0.00 0.00 57.45 54.41 3iyj n PHE 244 Cb 0.36 0.57 -0.03 0.00 -1.61 0.00 0.00 39.48 38.76 3iyj n PHE 244 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 3iyj s PHE 245 N -4.30 -0.01 0.03 2.97 -0.12 -1.26 -3.59 117.98 111.69 3iyj s PHE 245 Ca 0.11 0.02 0.01 0.00 -0.05 0.00 0.00 56.93 57.02 3iyj s PHE 245 Cb -0.03 0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 42.84 3iyj s PHE 245 CO 0.07 -0.02 -0.05 0.00 -0.05 0.00 0.00 175.22 175.17 3iyj s ALA 246 N -1.63 0.36 -0.15 1.99 0.00 -0.72 -5.01 121.76 116.59 3iyj s ALA 246 Ca 0.11 -0.61 -0.12 0.00 0.00 0.00 0.00 51.96 51.34 3iyj s ALA 246 Cb -0.01 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.22 3iyj s ALA 246 CO -0.05 -0.06 0.38 -0.98 0.00 0.00 0.00 175.76 175.06 3iyj s ARG 247 N -1.31 0.43 -0.07 0.00 1.70 -1.26 -2.15 118.95 116.29 3iyj s ARG 247 Ca -0.11 0.57 -0.03 0.00 -0.47 0.00 0.00 55.73 55.70 3iyj s ARG 247 Cb -0.09 0.17 0.04 0.00 -0.57 0.00 0.00 34.95 34.50 3iyj s ARG 247 CO -0.00 -0.07 0.14 0.15 -1.08 0.00 0.00 175.30 174.43 3iyj s LYS 248 N 0.42 0.03 -0.21 3.89 1.02 -1.04 -4.99 119.74 118.85 3iyj s LYS 248 Ca -0.02 0.48 -0.11 0.00 0.02 0.00 0.00 55.97 56.34 3iyj s LYS 248 Cb -0.04 -0.28 0.07 0.00 -0.52 0.00 0.00 37.83 37.07 3iyj s LYS 248 CO -0.02 -0.27 0.50 -1.83 -0.92 0.00 0.00 175.35 172.82 3iyj s GLU 249 N 1.96 0.48 0.08 1.68 -1.05 -1.26 -0.80 118.70 119.78 3iyj s GLU 249 Ca -0.00 1.00 0.08 0.00 -0.15 0.00 0.00 54.97 55.89 3iyj s GLU 249 Cb -0.12 0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 33.68 3iyj s GLU 249 CO -0.05 -0.17 -0.21 -0.65 0.95 0.00 0.00 175.26 175.13 3iyj s GLN 250 N 1.77 1.24 0.21 -4.83 -0.21 -0.82 -4.98 119.66 112.04 3iyj s GLN 250 Ca -0.08 -1.06 -0.23 0.00 0.02 0.00 0.00 55.36 54.01 3iyj s GLN 250 Cb -0.08 -1.43 0.04 0.00 1.00 0.00 0.00 33.01 32.54 3iyj s GLN 250 CO -0.15 0.35 0.79 0.54 -2.12 0.00 0.00 175.29 174.69 3iyj s VAL 251 N -0.99 0.00 -0.20 1.09 0.11 -1.26 -3.82 120.40 115.32 3iyj s VAL 251 Ca 0.07 -0.74 -0.34 0.00 -2.93 0.00 0.00 61.98 58.04 3iyj s VAL 251 Cb -0.09 -1.84 0.15 0.00 -1.53 0.00 0.00 36.38 33.06 3iyj s VAL 251 CO 0.03 0.00 1.22 -0.72 -3.33 0.00 0.00 175.10 172.30 3iyj s TYR 252 N -3.67 -0.13 0.47 1.54 -0.85 -1.04 -4.95 117.35 108.72 3iyj s TYR 252 Ca 0.10 0.12 -0.23 0.00 -0.52 0.00 0.00 57.07 56.54 3iyj s TYR 252 Cb -0.04 0.51 -0.07 0.00 0.38 0.00 0.00 41.96 42.74 3iyj s TYR 252 CO 0.03 -0.19 1.22 0.14 -1.52 0.00 0.00 175.55 175.23 3iyj s VAL 253 N -2.10 2.83 0.00 -3.49 -7.23 -1.26 -1.06 120.40 108.08 3iyj s VAL 253 Ca 0.08 0.64 0.00 0.00 -1.81 0.00 0.00 61.98 60.89 3iyj s VAL 253 Cb -0.01 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.60 3iyj s VAL 253 CO -0.05 0.01 0.00 -1.14 -0.31 0.00 0.00 175.10 173.61 3iyj n ARG 254 N -0.51 2.18 -3.92 4.82 0.63 -1.03 -4.85 116.66 113.97 3iyj n ARG 254 Ca 0.07 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.92 3iyj n ARG 254 Cb 0.47 -0.82 -0.04 0.00 0.45 0.00 0.00 32.46 32.52 3iyj n ARG 254 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3iyj s HIS 255 N -1.30 0.13 -0.05 -0.14 3.76 -1.26 -4.99 115.29 111.43 3iyj s HIS 255 Ca 0.00 -0.52 -0.01 0.00 -0.15 0.00 0.00 55.06 54.38 3iyj s HIS 255 Cb 0.00 0.38 0.03 0.00 1.11 0.00 0.00 32.58 34.10 3iyj s HIS 255 CO 0.00 -1.07 0.02 0.42 -0.85 0.00 0.00 174.74 173.26 3iyj s ILE 256 N -3.97 0.21 0.53 0.60 1.01 -1.26 -2.64 121.20 115.68 3iyj s ILE 256 Ca 0.17 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.01 3iyj s ILE 256 Cb -0.02 -0.38 -0.00 0.00 0.01 0.00 0.00 42.46 42.06 3iyj s ILE 256 CO 0.07 0.22 0.00 0.26 0.00 0.00 0.00 174.94 175.49 3iyj s TRP 257 N 1.81 1.77 -0.04 3.97 0.51 -0.54 -2.98 118.94 123.44 3iyj s TRP 257 Ca 0.02 -1.00 0.01 0.00 -2.12 0.00 0.00 56.10 53.01 3iyj s TRP 257 Cb -0.12 -1.58 0.02 0.00 -0.81 0.00 0.00 33.47 30.97 3iyj s TRP 257 CO -0.04 0.20 -0.05 0.95 -0.51 0.00 0.00 176.95 177.50 3iyj s THR 258 N -2.90 0.51 1.30 2.01 -4.23 -0.97 -2.35 115.64 109.01 3iyj s THR 258 Ca 0.01 -0.14 -0.18 0.00 -1.18 0.00 0.00 61.69 60.21 3iyj s THR 258 Cb 0.00 -0.52 0.33 0.00 1.34 0.00 0.00 72.50 73.65 3iyj s THR 258 CO 0.01 0.21 0.98 -0.13 -0.54 0.00 0.00 174.62 175.14 3iyj s ARG 259 N 0.72 -1.97 -0.12 3.99 1.81 -1.18 -0.53 118.95 121.67 3iyj s ARG 259 Ca -0.09 0.47 0.15 0.00 -1.72 0.00 0.00 55.73 54.54 3iyj s ARG 259 Cb -0.12 -1.46 0.32 0.00 -0.45 0.00 0.00 34.95 33.24 3iyj s ARG 259 CO 0.00 -4.32 1.16 0.41 -0.68 0.00 0.00 175.30 171.86 3iyj n GLY 260 N 1.07 3.58 3.90 -3.53 0.00 -1.26 -4.23 105.19 104.72 3iyj n GLY 260 Ca 0.07 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 3iyj n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iyj s GLY 261 N -2.56 1.86 0.51 -0.02 0.00 -1.26 -4.98 107.32 100.87 3iyj s GLY 261 Ca 0.30 -0.52 -0.22 0.00 0.00 0.00 0.00 44.72 44.28 3iyj s GLY 261 CO -0.05 -0.40 1.25 -0.45 0.00 0.00 0.00 173.10 173.45 3iyj s SER 262 N -3.17 5.71 -0.18 1.64 0.15 -1.26 -4.10 113.70 112.49 3iyj s SER 262 Ca 0.45 2.50 -0.09 0.00 0.70 0.00 0.00 55.95 59.51 3iyj s SER 262 Cb -0.11 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.54 3iyj s SER 262 CO 0.30 -1.25 0.13 -1.61 1.20 0.00 0.00 173.24 172.02 3iyj s GLU 263 N -2.84 3.98 0.00 5.44 2.02 -1.26 -4.95 118.70 121.09 3iyj s GLU 263 Ca 0.68 -0.19 0.24 0.00 0.02 0.00 0.00 54.97 55.71 3iyj s GLU 263 Cb -0.34 -3.36 0.14 0.00 0.10 0.00 0.00 34.13 30.68 3iyj s GLU 263 CO 0.40 0.43 1.20 1.63 0.02 0.00 0.00 175.26 178.94 3iyj n LYS 264 N 3.09 1.62 -3.22 1.61 4.76 -1.26 -4.80 118.16 119.96 3iyj n LYS 264 Ca -0.17 -1.31 -0.01 0.00 -2.87 0.00 0.00 58.31 53.95 3iyj n LYS 264 Cb 0.53 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 32.22 3iyj n LYS 264 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3iyj s GLU 265 N -2.29 0.50 0.39 1.97 -1.05 -1.26 -5.16 118.70 111.79 3iyj s GLU 265 Ca 0.23 0.53 0.07 0.00 -0.15 0.00 0.00 54.97 55.65 3iyj s GLU 265 Cb 0.19 0.07 -0.01 0.00 -0.44 0.00 0.00 34.13 33.94 3iyj s GLU 265 CO 0.46 -0.91 0.46 0.00 0.95 0.00 0.00 175.26 176.22 3iyj s ALA 266 N 2.72 4.24 0.06 -0.84 0.00 -1.26 -5.00 121.76 121.69 3iyj s ALA 266 Ca 0.13 -1.67 -0.31 0.00 0.00 0.00 0.00 51.96 50.11 3iyj s ALA 266 Cb -0.12 -1.42 -0.07 0.00 0.00 0.00 0.00 23.12 21.50 3iyj s ALA 266 CO -0.25 -0.16 1.42 -1.25 0.00 0.00 0.00 175.76 175.51 3iyj s PRO 267 N -4.20 4.29 1.01 0.00 0.04 -1.26 -4.98 135.00 129.91 3iyj s PRO 267 Ca 0.49 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.45 3iyj s PRO 267 Cb -0.08 -3.43 0.15 0.00 0.04 0.00 0.00 34.50 31.19 3iyj s PRO 267 CO 0.30 -0.52 0.80 2.41 0.04 0.00 0.00 177.00 180.03 3iyj n THR 268 N 4.33 0.00 0.13 1.26 -1.04 -1.26 -4.50 114.28 113.20 3iyj n THR 268 Ca 0.13 -0.18 0.08 0.00 -2.04 0.00 0.00 64.05 62.03 3iyj n THR 268 Cb 0.43 -0.86 0.42 0.00 -1.82 0.00 0.00 70.33 68.49 3iyj n THR 268 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3iyj n THR 269 N -4.29 1.03 0.78 12.58 -2.24 -1.26 -0.77 114.28 120.12 3iyj n THR 269 Ca 0.07 0.70 0.12 0.00 -2.27 0.00 0.00 64.05 62.68 3iyj n THR 269 Cb 0.54 -1.70 0.51 0.00 -2.10 0.00 0.00 70.33 67.58 3iyj n THR 269 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3iyj n ASP 270 N -2.05 0.25 -0.05 3.42 5.75 -1.26 -3.93 116.55 118.67 3iyj n ASP 270 Ca -0.01 0.53 -0.10 0.00 -0.01 0.00 0.00 54.79 55.20 3iyj n ASP 270 Cb 0.13 -0.59 -0.04 0.00 -1.03 0.00 0.00 41.12 39.58 3iyj n ASP 270 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3iyj n PHE 271 N -1.74 0.00 -3.38 2.11 3.72 0.05 -4.98 117.46 113.25 3iyj n PHE 271 Ca 0.06 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.06 3iyj n PHE 271 Cb 0.33 -0.41 -0.09 0.00 -0.94 0.00 0.00 39.48 38.37 3iyj n PHE 271 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3iyj s TYR 272 N -2.21 3.22 -0.27 1.38 5.04 -1.01 -5.05 117.35 118.45 3iyj s TYR 272 Ca -0.15 0.15 -0.18 0.00 -2.44 0.00 0.00 57.07 54.45 3iyj s TYR 272 Cb 0.05 -2.67 -0.03 0.00 0.35 0.00 0.00 41.96 39.66 3iyj s TYR 272 CO 0.22 -0.38 0.52 -1.17 -1.34 0.00 0.00 175.55 173.40 3iyj s LEU 273 N 2.09 4.07 0.95 6.97 2.96 -1.26 -4.57 118.68 129.88 3iyj s LEU 273 Ca 0.14 0.49 -0.11 0.00 -0.22 0.00 0.00 54.13 54.43 3iyj s LEU 273 Cb -0.16 -2.66 0.16 0.00 0.50 0.00 0.00 46.19 44.03 3iyj s LEU 273 CO 0.11 -0.30 1.10 -0.75 -1.32 0.00 0.00 176.35 175.19 3iyj s LYS 274 N 2.32 0.82 0.30 1.98 2.20 -1.26 -5.07 119.74 121.03 3iyj s LYS 274 Ca 0.21 1.13 0.03 0.00 -0.36 0.00 0.00 55.97 56.98 3iyj s LYS 274 Cb -0.16 -1.73 -0.05 0.00 -1.51 0.00 0.00 37.83 34.38 3iyj s LYS 274 CO 0.09 -2.63 0.10 0.54 -0.36 0.00 0.00 175.35 173.09 3iyj s ASN 275 N -2.95 1.78 0.25 1.43 4.22 -1.26 -5.06 114.94 113.34 3iyj s ASN 275 Ca 0.65 -1.43 -0.31 0.00 -2.14 0.00 0.00 52.86 49.63 3iyj s ASN 275 Cb -0.21 0.15 -0.13 0.00 1.28 0.00 0.00 41.25 42.34 3iyj s ASN 275 CO 0.59 -0.73 1.51 -3.20 -2.04 0.00 0.00 177.10 173.22 3iyj n ASN 276 N -0.68 3.22 0.00 3.54 2.85 -1.26 -1.10 115.26 121.83 3iyj n ASN 276 Ca -0.01 1.13 0.00 0.00 -0.11 0.00 0.00 54.58 55.59 3iyj n ASN 276 Cb 0.66 -1.49 0.00 0.00 1.24 0.00 0.00 39.78 40.19 3iyj n ASN 276 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 3iyj n LYS 277 N 2.35 -1.47 -0.01 1.20 4.81 -1.26 -4.94 118.16 118.85 3iyj n LYS 277 Ca 0.12 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 3iyj n LYS 277 Cb 0.33 -4.77 0.00 0.00 0.02 0.00 0.00 35.03 30.61 3iyj n LYS 277 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3iyj n GLY 278 N 0.15 -0.98 3.54 3.14 0.00 -0.26 -5.08 105.19 105.70 3iyj n GLY 278 Ca 0.00 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 3iyj n GLY 278 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iyj s ASP 279 N -1.00 4.32 0.18 1.61 1.01 -1.26 -4.95 116.67 116.58 3iyj s ASP 279 Ca 0.00 -0.20 -0.16 0.00 0.71 0.00 0.00 52.55 52.90 3iyj s ASP 279 Cb 0.00 -0.94 0.15 0.00 1.01 0.00 0.00 42.92 43.14 3iyj s ASP 279 CO 0.00 0.30 1.65 0.00 0.21 0.00 0.00 175.17 177.33 3iyj h ALA 280 N 4.80 0.33 -3.52 5.23 0.00 -1.98 -3.42 119.26 120.70 3iyj h ALA 280 Ca -0.48 0.19 -0.66 0.00 0.00 0.00 0.00 54.91 53.96 3iyj h ALA 280 Cb 1.16 0.37 -0.17 0.00 0.00 0.00 0.00 17.79 19.15 3iyj h ALA 280 CO 0.51 -0.44 -0.78 0.99 0.00 0.00 0.00 179.25 179.54 3iyj s THR 281 N -6.22 2.96 0.19 0.00 2.01 -1.26 -4.95 115.64 108.37 3iyj s THR 281 Ca -0.14 -1.54 -0.30 0.00 0.31 0.00 0.00 61.69 60.02 3iyj s THR 281 Cb 0.16 -2.39 -0.08 0.00 0.01 0.00 0.00 72.50 70.20 3iyj s THR 281 CO 0.72 0.04 1.06 -0.76 -0.69 0.00 0.00 174.62 175.00 3iyj s LEU 282 N -2.33 4.52 -0.11 4.42 1.43 -1.26 -4.97 118.68 120.38 3iyj s LEU 282 Ca 0.20 2.06 0.05 0.00 -1.03 0.00 0.00 54.13 55.41 3iyj s LEU 282 Cb -0.10 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.41 3iyj s LEU 282 CO 0.12 -0.15 -0.03 0.29 0.23 0.00 0.00 176.35 176.81 3iyj n LYS 283 N 2.15 1.47 -2.43 1.70 5.02 -1.26 -4.85 118.16 119.96 3iyj n LYS 283 Ca 0.02 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 3iyj n LYS 283 Cb 0.46 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 34.20 3iyj n LYS 283 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3iyj s ILE 284 N -2.23 4.14 0.47 -0.18 -1.09 -1.26 -4.37 121.20 116.67 3iyj s ILE 284 Ca -0.10 1.50 -0.23 0.00 -2.23 0.00 0.00 60.65 59.59 3iyj s ILE 284 Cb 0.03 -3.96 -0.09 0.00 -1.58 0.00 0.00 42.46 36.86 3iyj s ILE 284 CO 0.34 0.04 1.03 -0.81 -1.23 0.00 0.00 174.94 174.30 3iyj n PRO 285 N 4.78 1.31 -3.38 2.79 -0.04 -1.26 -4.97 135.00 134.23 3iyj n PRO 285 Ca 0.10 0.48 -0.26 0.00 -0.04 0.00 0.00 63.50 63.78 3iyj n PRO 285 Cb 0.46 -2.12 -0.08 0.00 -0.04 0.00 0.00 33.50 31.73 3iyj n PRO 285 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3iyj n SER 286 N 0.16 2.82 -4.22 3.54 3.41 -1.26 -4.85 113.62 113.22 3iyj n SER 286 Ca 0.10 -3.24 -0.33 0.00 -0.26 0.00 0.00 58.87 55.13 3iyj n SER 286 Cb 0.41 -0.66 -0.15 0.00 -0.26 0.00 0.00 64.21 63.55 3iyj n SER 286 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3iyj s VAL 287 N -2.11 2.56 -0.55 -3.33 1.01 -1.26 -5.08 120.40 111.64 3iyj s VAL 287 Ca 0.38 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3iyj s VAL 287 Cb 0.15 -2.09 0.14 0.00 0.00 0.00 0.00 36.38 34.58 3iyj s VAL 287 CO -0.04 0.51 0.33 -1.00 0.00 0.00 0.00 175.10 174.89 3iyj s HIS 288 N 1.10 3.34 -0.10 5.22 3.76 -1.26 -3.13 115.29 124.22 3iyj s HIS 288 Ca 0.00 -2.92 -0.04 0.00 -0.15 0.00 0.00 55.06 51.95 3iyj s HIS 288 Cb -0.14 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.49 3iyj s HIS 288 CO -0.05 -0.81 0.08 -0.59 -0.85 0.00 0.00 174.74 172.52 3iyj s PHE 289 N -0.06 3.40 0.37 1.40 -0.12 -0.99 -4.90 117.98 117.08 3iyj s PHE 289 Ca 0.16 0.37 -0.01 0.00 -0.05 0.00 0.00 56.93 57.40 3iyj s PHE 289 Cb -0.23 -1.87 -0.04 0.00 -0.63 0.00 0.00 43.02 40.26 3iyj s PHE 289 CO -0.02 0.61 0.59 0.20 -0.05 0.00 0.00 175.22 176.56 3iyj s GLY 290 N -0.99 1.44 -0.05 1.99 0.00 -1.26 -1.46 107.32 106.98 3iyj s GLY 290 Ca 0.15 -0.79 -0.19 0.00 0.00 0.00 0.00 44.72 43.88 3iyj s GLY 290 CO 0.04 -0.70 0.55 -1.35 0.00 0.00 0.00 173.10 171.63 3iyj s SER 291 N -3.94 6.86 0.31 1.64 1.04 -1.08 -4.93 113.70 113.60 3iyj s SER 291 Ca 0.42 1.02 -0.29 0.00 0.48 0.00 0.00 55.95 57.58 3iyj s SER 291 Cb -0.10 -2.33 -0.10 0.00 0.10 0.00 0.00 66.02 63.59 3iyj s SER 291 CO 0.37 0.06 1.29 -2.16 0.98 0.00 0.00 173.24 173.78 3iyj s PRO 292 N 0.12 4.39 -0.08 4.02 0.04 -1.26 -2.46 135.00 139.77 3iyj s PRO 292 Ca 0.29 2.15 0.04 0.00 0.04 0.00 0.00 61.00 63.52 3iyj s PRO 292 Cb -0.17 -3.10 -0.00 0.00 0.04 0.00 0.00 34.50 31.27 3iyj s PRO 292 CO 0.14 -0.15 -0.22 0.45 0.04 0.00 0.00 177.00 177.26 3iyj s SER 293 N -0.41 2.84 -0.07 6.66 0.15 -0.23 -4.47 113.70 118.17 3iyj s SER 293 Ca 0.50 -0.50 -0.21 0.00 0.70 0.00 0.00 55.95 56.44 3iyj s SER 293 Cb -0.38 -1.17 -0.04 0.00 -1.71 0.00 0.00 66.02 62.71 3iyj s SER 293 CO 0.49 0.16 0.60 -0.83 1.20 0.00 0.00 173.24 174.86 3iyj s GLY 294 N 0.27 2.55 0.69 9.45 0.00 -0.60 -2.48 107.32 117.20 3iyj s GLY 294 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 44.72 44.45 3iyj s GLY 294 CO 0.07 0.94 1.09 -0.45 0.00 0.00 0.00 173.10 174.75 3iyj s SER 295 N 0.49 5.02 0.36 1.64 0.15 -1.25 -4.84 113.70 115.27 3iyj s SER 295 Ca 0.32 1.88 -0.28 0.00 0.70 0.00 0.00 55.95 58.57 3iyj s SER 295 Cb -0.17 -2.53 -0.11 0.00 -1.71 0.00 0.00 66.02 61.50 3iyj s SER 295 CO 0.15 -1.69 1.52 0.00 1.20 0.00 0.00 173.24 174.42 3iyj n LEU 296 N -2.80 4.77 -4.86 3.45 -0.00 -1.26 -4.90 117.00 111.40 3iyj n LEU 296 Ca 0.09 1.21 -0.33 0.00 -0.00 0.00 0.00 56.01 56.99 3iyj n LEU 296 Cb 0.53 -1.62 -0.06 0.00 -0.00 0.00 0.00 43.42 42.27 3iyj n LEU 296 CO 0.50 0.19 -0.19 0.54 -0.00 0.00 0.00 177.39 178.43 3iyj s VAL 297 N -0.91 5.15 0.44 1.47 0.11 -1.26 -5.10 120.40 120.30 3iyj s VAL 297 Ca 0.55 -0.30 0.04 0.00 -2.93 0.00 0.00 61.98 59.34 3iyj s VAL 297 Cb -0.47 -3.41 -0.04 0.00 -1.53 0.00 0.00 36.38 30.93 3iyj s VAL 297 CO 0.61 0.30 0.03 -0.94 -3.33 0.00 0.00 175.10 171.77 3iyj s SER 298 N -1.95 3.68 0.17 3.54 1.04 -1.26 -5.01 113.70 113.90 3iyj s SER 298 Ca 0.27 -1.54 0.27 0.00 0.48 0.00 0.00 55.95 55.43 3iyj s SER 298 Cb -0.12 0.16 0.87 0.00 0.10 0.00 0.00 66.02 67.03 3iyj s SER 298 CO 0.18 -0.71 1.80 0.35 0.98 0.00 0.00 173.24 175.84 3iyj n THR 299 N -1.06 0.49 -0.07 2.02 -2.24 -1.26 -3.69 114.28 108.47 3iyj n THR 299 Ca -0.11 -0.24 -0.08 0.00 -2.27 0.00 0.00 64.05 61.35 3iyj n THR 299 Cb 0.67 -0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 68.23 3iyj n THR 299 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3iyj n ASP 300 N -2.13 1.84 -0.08 3.42 5.75 -1.26 -4.60 116.55 119.49 3iyj n ASP 300 Ca 0.06 -0.02 -0.05 0.00 -0.01 0.00 0.00 54.79 54.77 3iyj n ASP 300 Cb 0.42 0.62 0.16 0.00 -1.03 0.00 0.00 41.12 41.28 3iyj n ASP 300 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 3iyj h ASN 301 N 0.00 0.70 -2.79 -1.12 2.35 -1.97 -3.43 115.58 109.32 3iyj h ASN 301 Ca -0.37 -0.20 -0.52 0.00 -0.55 0.00 0.00 56.30 54.66 3iyj h ASN 301 Cb 1.79 -0.19 0.06 0.00 0.05 0.00 0.00 38.32 40.03 3iyj h ASN 301 CO 0.00 0.83 0.96 0.00 -1.65 0.00 0.00 177.43 177.58 3iyj s GLN 302 N -4.81 4.15 -1.22 0.81 -2.07 -1.24 -4.90 119.66 110.38 3iyj s GLN 302 Ca -0.09 2.54 -0.11 0.00 -1.82 0.00 0.00 55.36 55.88 3iyj s GLN 302 Cb 0.14 -3.09 0.19 0.00 -1.09 0.00 0.00 33.01 29.16 3iyj s GLN 302 CO 0.81 -0.70 1.58 0.44 -1.32 0.00 0.00 175.29 176.10 3iyj n ILE 303 N 3.76 4.40 -3.75 3.63 -5.35 -1.26 -4.96 119.36 115.82 3iyj n ILE 303 Ca 0.14 -4.75 -0.09 0.00 -0.27 0.00 0.00 62.75 57.78 3iyj n ILE 303 Cb 0.36 -2.41 -0.03 0.00 -1.74 0.00 0.00 39.64 35.82 3iyj n ILE 303 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3iyj s PHE 304 N 0.57 -0.16 0.00 4.28 0.40 -1.26 -4.85 117.98 116.96 3iyj s PHE 304 Ca 0.40 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.52 3iyj s PHE 304 Cb 0.02 0.50 0.00 0.00 0.51 0.00 0.00 43.02 44.04 3iyj s PHE 304 CO 0.00 -1.02 0.00 0.09 0.70 0.00 0.00 175.22 175.00 3iyj n ASN 305 N -0.39 -3.74 -4.23 1.36 5.03 -0.64 -4.91 115.26 107.74 3iyj n ASN 305 Ca -0.08 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 54.96 3iyj n ASN 305 Cb 0.62 -2.37 -0.09 0.00 -1.02 0.00 0.00 39.78 36.91 3iyj n ASN 305 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3iyj s ARG 306 N -1.21 2.50 0.02 3.52 0.52 -1.26 -5.02 118.95 118.02 3iyj s ARG 306 Ca 0.00 -1.64 -0.36 0.00 -0.52 0.00 0.00 55.73 53.21 3iyj s ARG 306 Cb 0.00 -3.84 -0.15 0.00 0.52 0.00 0.00 34.95 31.48 3iyj s ARG 306 CO 0.00 -1.08 1.53 -0.35 0.02 0.00 0.00 175.30 175.42 3iyj n PRO 307 N 4.89 1.52 -3.51 3.54 -0.04 -1.26 -4.82 135.00 135.32 3iyj n PRO 307 Ca -0.08 0.55 -0.42 0.00 -0.04 0.00 0.00 63.50 63.51 3iyj n PRO 307 Cb 0.42 -2.26 -0.10 0.00 -0.04 0.00 0.00 33.50 31.52 3iyj n PRO 307 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3iyj s TYR 308 N 1.51 3.24 -0.30 0.54 4.12 -0.01 -4.96 117.35 121.49 3iyj s TYR 308 Ca 0.86 -0.70 -0.23 0.00 0.02 0.00 0.00 57.07 57.03 3iyj s TYR 308 Cb -0.87 -2.54 -0.00 0.00 -1.52 0.00 0.00 41.96 37.03 3iyj s TYR 308 CO 0.48 -0.60 0.76 -1.58 0.02 0.00 0.00 175.55 174.63 3iyj s TRP 309 N 1.64 3.22 -0.46 2.71 0.23 -1.26 -2.50 118.94 122.52 3iyj s TRP 309 Ca 0.04 0.81 -0.21 0.00 -2.03 0.00 0.00 56.10 54.71 3iyj s TRP 309 Cb -0.19 -3.14 0.03 0.00 0.03 0.00 0.00 33.47 30.20 3iyj s TRP 309 CO 0.09 -0.52 0.67 -1.17 0.96 0.00 0.00 176.95 176.98 3iyj s LEU 310 N 2.86 4.54 -0.18 2.99 2.96 0.10 -4.91 118.68 127.04 3iyj s LEU 310 Ca 0.31 -0.43 0.18 0.00 -0.22 0.00 0.00 54.13 53.97 3iyj s LEU 310 Cb -0.14 -2.70 -0.25 0.00 0.50 0.00 0.00 46.19 43.59 3iyj s LEU 310 CO 0.12 -0.84 0.10 0.49 -1.32 0.00 0.00 176.35 174.90 3iyj n PHE 311 N 6.37 0.00 -3.68 5.38 3.01 -1.26 -4.78 117.46 122.49 3iyj n PHE 311 Ca -0.02 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.35 3iyj n PHE 311 Cb 0.47 -0.94 -0.10 0.00 -0.01 0.00 0.00 39.48 38.90 3iyj n PHE 311 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3iyj s ARG 312 N -2.57 0.41 0.80 -1.08 1.81 -1.26 -5.10 118.95 111.96 3iyj s ARG 312 Ca -0.10 0.90 -0.14 0.00 -1.72 0.00 0.00 55.73 54.68 3iyj s ARG 312 Cb 0.07 0.09 0.19 0.00 -0.45 0.00 0.00 34.95 34.84 3iyj s ARG 312 CO 0.83 -0.18 1.03 0.00 -0.68 0.00 0.00 175.30 176.29 3iyj n ALA 313 N 4.56 -1.41 -0.89 2.13 0.00 -1.26 -4.98 120.51 118.66 3iyj n ALA 313 Ca -0.19 -1.36 0.08 0.00 0.00 0.00 0.00 53.44 51.97 3iyj n ALA 313 Cb 0.54 -0.07 0.37 0.00 0.00 0.00 0.00 19.45 20.29 3iyj n ALA 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyj n GLN 314 N -3.34 4.37 -3.25 0.00 10.64 -1.20 -4.92 117.38 119.67 3iyj n GLN 314 Ca 0.13 -3.06 -0.11 0.00 -1.83 0.00 0.00 57.00 52.13 3iyj n GLN 314 Cb 0.46 -2.13 -0.03 0.00 -0.86 0.00 0.00 30.24 27.67 3iyj n GLN 314 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3iyj n GLY 315 N 0.44 2.74 0.24 2.61 0.00 -1.26 -5.02 105.19 104.94 3iyj n GLY 315 Ca 0.26 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 44.73 3iyj n GLY 315 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3iyj n MET 316 N -0.39 1.31 -3.84 1.61 2.81 -1.18 -4.50 117.12 112.93 3iyj n MET 316 Ca 0.02 -0.46 -0.33 0.00 -1.81 0.00 0.00 57.70 55.12 3iyj n MET 316 Cb 0.39 -1.28 -0.12 0.00 -0.71 0.00 0.00 33.22 31.50 3iyj n MET 316 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3iyj s ASN 317 N -1.43 4.76 -1.11 7.83 3.04 -1.16 -0.57 114.94 126.31 3iyj s ASN 317 Ca 0.24 -3.04 -0.14 0.00 0.04 0.00 0.00 52.86 49.97 3iyj s ASN 317 Cb 0.12 -1.73 -0.07 0.00 -1.54 0.00 0.00 41.25 38.03 3iyj s ASN 317 CO 0.19 -0.27 2.21 -0.46 -3.04 0.00 0.00 177.10 175.73 3iyj n ASN 318 N 3.15 4.51 -1.69 -4.21 2.04 -1.26 -4.44 115.26 113.36 3iyj n ASN 318 Ca 0.08 -2.60 -0.06 0.00 -0.44 0.00 0.00 54.58 51.56 3iyj n ASN 318 Cb 0.35 -1.30 0.03 0.00 -2.53 0.00 0.00 39.78 36.32 3iyj n ASN 318 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3iyj n GLY 319 N 4.06 0.27 3.55 4.83 0.00 -1.26 -4.81 105.19 111.84 3iyj n GLY 319 Ca 0.53 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3iyj n GLY 319 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iyj s ILE 320 N -3.11 5.15 -1.23 -0.61 -1.09 -1.26 -1.85 121.20 117.20 3iyj s ILE 320 Ca 0.05 0.01 -0.20 0.00 -2.23 0.00 0.00 60.65 58.29 3iyj s ILE 320 Cb -0.02 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.34 3iyj s ILE 320 CO 0.23 0.19 1.87 0.00 -1.23 0.00 0.00 174.94 176.01 3iyj n ALA 321 N 5.05 3.14 -1.85 9.38 0.00 -0.01 -4.89 120.51 131.33 3iyj n ALA 321 Ca -0.14 -3.52 -0.41 0.00 0.00 0.00 0.00 53.44 49.37 3iyj n ALA 321 Cb 0.51 -3.56 -0.03 0.00 0.00 0.00 0.00 19.45 16.38 3iyj n ALA 321 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3iyj s TRP 322 N 6.56 3.14 -0.80 0.00 0.23 -1.26 -2.12 118.94 124.69 3iyj s TRP 322 Ca 0.59 1.31 0.00 0.00 -2.03 0.00 0.00 56.10 55.97 3iyj s TRP 322 Cb 0.04 -3.66 0.00 0.00 0.03 0.00 0.00 33.47 29.89 3iyj s TRP 322 CO 0.09 -1.91 0.00 0.09 0.96 0.00 0.00 176.95 176.17 3iyj n ASN 323 N 1.60 -4.17 -4.06 2.95 3.02 -1.26 -3.54 115.26 109.80 3iyj n ASN 323 Ca 0.03 0.19 -0.41 0.00 -0.03 0.00 0.00 54.58 54.36 3iyj n ASN 323 Cb 0.42 -2.33 -0.00 0.00 -0.61 0.00 0.00 39.78 37.26 3iyj n ASN 323 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3iyj n ASN 324 N 0.31 -3.10 -3.74 6.41 5.03 -0.90 -4.94 115.26 114.33 3iyj n ASN 324 Ca -0.08 -1.24 -0.14 0.00 0.87 0.00 0.00 54.58 54.00 3iyj n ASN 324 Cb 0.29 -1.98 -0.09 0.00 -1.02 0.00 0.00 39.78 36.98 3iyj n ASN 324 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3iyj s LEU 325 N -7.29 0.63 0.07 3.41 2.96 -1.23 -2.92 118.68 114.31 3iyj s LEU 325 Ca 0.37 0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.68 3iyj s LEU 325 Cb -0.19 1.38 -0.03 0.00 0.50 0.00 0.00 46.19 47.84 3iyj s LEU 325 CO 0.96 -0.35 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.78 3iyj s LEU 326 N -0.79 2.34 -0.14 -0.68 1.43 -0.98 -4.54 118.68 115.31 3iyj s LEU 326 Ca -0.09 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.31 3iyj s LEU 326 Cb -0.04 -0.28 0.03 0.00 0.03 0.00 0.00 46.19 45.93 3iyj s LEU 326 CO 0.03 -0.22 -0.06 -0.36 0.23 0.00 0.00 176.35 175.97 3iyj s PHE 327 N -1.93 1.59 -0.29 0.29 0.40 -0.33 -2.03 117.98 115.68 3iyj s PHE 327 Ca -0.01 -0.93 -0.04 0.00 -0.60 0.00 0.00 56.93 55.35 3iyj s PHE 327 Cb -0.06 -1.27 0.03 0.00 0.51 0.00 0.00 43.02 42.23 3iyj s PHE 327 CO 0.00 -0.57 0.02 -1.17 0.70 0.00 0.00 175.22 174.20 3iyj s LEU 328 N 1.67 3.77 -0.47 -0.37 2.96 -0.69 -2.04 118.68 123.51 3iyj s LEU 328 Ca 0.02 -1.00 -0.10 0.00 -0.22 0.00 0.00 54.13 52.83 3iyj s LEU 328 Cb -0.14 -1.77 0.11 0.00 0.50 0.00 0.00 46.19 44.89 3iyj s LEU 328 CO -0.08 -0.22 0.35 -0.89 -1.32 0.00 0.00 176.35 174.19 3iyj s THR 329 N 1.36 4.35 -0.14 3.68 2.01 -0.30 -0.97 115.64 125.63 3iyj s THR 329 Ca -0.01 -1.69 0.01 0.00 0.31 0.00 0.00 61.69 60.31 3iyj s THR 329 Cb -0.18 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.52 3iyj s THR 329 CO -0.00 -0.75 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.34 3iyj s VAL 330 N 1.40 1.61 -0.01 3.82 1.01 -0.72 -1.15 120.40 126.36 3iyj s VAL 330 Ca 0.05 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 3iyj s VAL 330 Cb -0.26 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.63 3iyj s VAL 330 CO 0.00 0.47 0.02 -0.83 0.00 0.00 0.00 175.10 174.76 3iyj s GLY 331 N 1.34 0.04 -0.27 4.51 0.00 0.12 -2.23 107.32 110.84 3iyj s GLY 331 Ca 0.02 0.15 -0.22 0.00 0.00 0.00 0.00 44.72 44.67 3iyj s GLY 331 CO -0.09 0.32 0.70 0.51 0.00 0.00 0.00 173.10 174.54 3iyj s ASP 332 N 0.47 -0.80 0.00 1.64 -4.77 -1.26 0.14 116.67 112.09 3iyj s ASP 332 Ca -0.04 1.44 0.20 0.00 -3.30 0.00 0.00 52.55 50.85 3iyj s ASP 332 Cb -0.06 1.41 0.54 0.00 -1.09 0.00 0.00 42.92 43.73 3iyj s ASP 332 CO -0.01 -0.24 1.45 -0.46 0.70 0.00 0.00 175.17 176.61 3iyj n ASN 333 N 3.21 3.21 0.26 2.11 6.94 -1.09 -4.51 115.26 125.39 3iyj n ASN 333 Ca -0.16 -1.98 -0.14 0.00 -0.02 0.00 0.00 54.58 52.28 3iyj n ASN 333 Cb 0.56 -0.36 -0.08 0.00 -2.36 0.00 0.00 39.78 37.55 3iyj n ASN 333 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3iyj h THR 334 N 3.66 0.37 -0.39 5.53 2.02 -1.85 -3.33 112.91 118.92 3iyj h THR 334 Ca 0.00 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 66.81 3iyj h THR 334 Cb 0.83 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 3iyj h THR 334 CO 0.00 0.05 0.19 0.03 0.37 0.00 0.00 175.52 176.16 3iyj h ARG 335 N -0.97 0.37 -6.62 6.66 2.47 -1.79 -3.23 114.38 111.27 3iyj h ARG 335 Ca -0.07 -0.02 -0.57 0.00 -1.26 0.00 0.00 59.98 58.06 3iyj h ARG 335 Cb 0.61 -0.08 0.08 0.00 -1.65 0.00 0.00 29.97 28.93 3iyj h ARG 335 CO 0.11 0.24 0.69 0.41 0.56 0.00 0.00 179.97 181.99 3iyj n GLY 336 N -1.22 0.93 3.21 0.04 0.00 -1.25 -3.87 105.19 103.03 3iyj n GLY 336 Ca 0.02 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.42 3iyj n GLY 336 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iyj s THR 337 N 0.07 -0.01 0.63 2.61 2.01 -1.26 -3.51 115.64 116.18 3iyj s THR 337 Ca 0.68 0.04 -0.13 0.00 0.31 0.00 0.00 61.69 62.60 3iyj s THR 337 Cb -0.62 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 3iyj s THR 337 CO 0.48 0.02 1.04 0.20 -0.69 0.00 0.00 174.62 175.67 3iyj s ASN 338 N 0.62 5.79 -0.16 3.53 0.02 -1.26 -4.72 114.94 118.77 3iyj s ASN 338 Ca -0.04 1.64 0.02 0.00 -1.02 0.00 0.00 52.86 53.46 3iyj s ASN 338 Cb -0.05 -2.50 0.01 0.00 0.02 0.00 0.00 41.25 38.73 3iyj s ASN 338 CO -0.04 -1.16 -0.21 -0.22 0.02 0.00 0.00 177.10 175.49 3iyj s LEU 339 N -5.00 2.11 0.41 0.60 2.96 -0.09 -5.01 118.68 114.66 3iyj s LEU 339 Ca 0.59 -0.62 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3iyj s LEU 339 Cb -0.14 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 3iyj s LEU 339 CO 0.47 0.04 0.64 0.42 -1.32 0.00 0.00 176.35 176.60 3iyj s THR 340 N 1.05 4.78 0.17 3.68 -4.23 -1.26 -1.57 115.64 118.27 3iyj s THR 340 Ca -0.01 -0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 60.08 3iyj s THR 340 Cb -0.14 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.93 3iyj s THR 340 CO -0.07 -0.58 0.37 -0.63 -0.54 0.00 0.00 174.62 173.17 3iyj s ILE 341 N -2.49 0.05 -0.28 2.99 1.01 -1.05 -4.93 121.20 116.50 3iyj s ILE 341 Ca 0.44 -1.17 0.01 0.00 0.00 0.00 0.00 60.65 59.93 3iyj s ILE 341 Cb -0.10 -1.74 0.17 0.00 0.01 0.00 0.00 42.46 40.80 3iyj s ILE 341 CO 0.39 -0.24 0.47 -0.94 0.00 0.00 0.00 174.94 174.62 3iyj s SER 342 N -2.93 -0.36 -0.03 3.58 1.04 -1.26 -2.05 113.70 111.69 3iyj s SER 342 Ca 0.14 0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.67 3iyj s SER 342 Cb 0.02 1.48 -0.04 0.00 0.10 0.00 0.00 66.02 67.58 3iyj s SER 342 CO -0.01 -0.31 0.13 -0.69 0.98 0.00 0.00 173.24 173.34 3iyj s VAL 343 N 2.66 5.14 0.32 5.02 1.01 -0.97 -4.88 120.40 128.69 3iyj s VAL 343 Ca 0.13 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.62 3iyj s VAL 343 Cb -0.13 -3.35 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 3iyj s VAL 343 CO -0.24 0.38 1.18 0.00 0.00 0.00 0.00 175.10 176.42 3iyj s ALA 344 N -1.22 3.39 -2.00 5.51 0.00 -1.26 -0.83 121.76 125.35 3iyj s ALA 344 Ca 0.23 1.02 0.12 0.00 0.00 0.00 0.00 51.96 53.34 3iyj s ALA 344 Cb -0.12 -3.38 0.72 0.00 0.00 0.00 0.00 23.12 20.34 3iyj s ALA 344 CO 0.14 -0.37 1.22 -1.13 0.00 0.00 0.00 175.76 175.63 3iyj n SER 345 N 0.87 0.00 0.00 0.00 3.41 0.49 -3.03 113.62 115.36 3iyj n SER 345 Ca 0.00 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 3iyj n SER 345 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3iyj n SER 345 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3iyj n ASP 346 N -0.79 1.29 0.00 4.04 9.92 -1.26 -5.03 116.55 124.72 3iyj n ASP 346 Ca 0.09 -0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 3iyj n ASP 346 Cb 0.04 0.54 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 3iyj n ASP 346 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3iyj n GLY 347 N 0.93 0.53 3.36 0.44 0.00 -1.17 -5.06 105.19 104.22 3iyj n GLY 347 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3iyj n GLY 347 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iyj s THR 348 N -2.22 2.75 0.19 2.61 2.01 -1.26 -5.00 115.64 114.72 3iyj s THR 348 Ca 0.00 -0.80 -0.32 0.00 0.31 0.00 0.00 61.69 60.88 3iyj s THR 348 Cb 0.00 -2.09 -0.15 0.00 0.01 0.00 0.00 72.50 70.26 3iyj s THR 348 CO 0.00 0.56 1.15 -0.81 -0.69 0.00 0.00 174.62 174.83 3iyj n PRO 349 N 3.06 1.24 -2.10 4.92 -0.04 -1.26 -4.84 135.00 135.99 3iyj n PRO 349 Ca -0.18 0.44 -0.42 0.00 -0.04 0.00 0.00 63.50 63.30 3iyj n PRO 349 Cb 0.52 -1.93 -0.03 0.00 -0.04 0.00 0.00 33.50 32.03 3iyj n PRO 349 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3iyj s LEU 350 N 0.62 4.36 0.15 1.53 1.43 -1.26 -4.92 118.68 120.58 3iyj s LEU 350 Ca 0.71 2.34 0.09 0.00 -1.03 0.00 0.00 54.13 56.24 3iyj s LEU 350 Cb -0.82 -3.58 -0.15 0.00 0.03 0.00 0.00 46.19 41.68 3iyj s LEU 350 CO 0.53 -0.74 1.28 0.74 0.23 0.00 0.00 176.35 178.39 3iyj h THR 351 N 4.51 1.48 -2.94 5.49 2.02 -2.06 -3.46 112.91 117.96 3iyj h THR 351 Ca -0.41 -3.12 -0.44 0.00 0.77 0.00 0.00 66.41 63.21 3iyj h THR 351 Cb 1.20 2.73 -0.14 0.00 -1.74 0.00 0.00 68.15 70.20 3iyj h THR 351 CO 0.89 0.84 -0.69 -0.70 0.37 0.00 0.00 175.52 176.24 3iyj s GLU 352 N -2.76 1.39 -0.48 6.66 2.12 -1.26 -5.12 118.70 119.26 3iyj s GLU 352 Ca 0.01 -1.67 -0.19 0.00 0.36 0.00 0.00 54.97 53.48 3iyj s GLU 352 Cb 0.09 -0.96 0.05 0.00 0.26 0.00 0.00 34.13 33.57 3iyj s GLU 352 CO 0.80 0.05 0.56 -0.47 -0.54 0.00 0.00 175.26 175.67 3iyj s TYR 353 N -3.13 3.10 0.21 5.30 5.04 -1.26 -5.05 117.35 121.55 3iyj s TYR 353 Ca 0.26 -0.50 0.08 0.00 -2.44 0.00 0.00 57.07 54.48 3iyj s TYR 353 Cb 0.03 -3.35 -0.04 0.00 0.35 0.00 0.00 41.96 38.95 3iyj s TYR 353 CO 0.09 -0.92 -0.00 -0.51 -1.34 0.00 0.00 175.55 172.86 3iyj s ASP 354 N 2.43 4.67 0.13 4.32 1.01 -1.26 -5.01 116.67 122.96 3iyj s ASP 354 Ca 0.14 -0.49 0.26 0.00 0.71 0.00 0.00 52.55 53.16 3iyj s ASP 354 Cb -0.19 -0.94 0.67 0.00 1.01 0.00 0.00 42.92 43.47 3iyj s ASP 354 CO 0.12 0.05 1.60 -1.54 0.21 0.00 0.00 175.17 175.62 3iyj n SER 355 N -0.43 0.64 -0.07 0.27 3.41 -1.26 -3.88 113.62 112.30 3iyj n SER 355 Ca -0.09 0.33 -0.02 0.00 -0.26 0.00 0.00 58.87 58.83 3iyj n SER 355 Cb 0.57 -0.32 -0.16 0.00 -0.26 0.00 0.00 64.21 64.03 3iyj n SER 355 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3iyj n SER 356 N -2.04 0.02 -0.18 4.04 3.41 -1.26 -4.64 113.62 112.96 3iyj n SER 356 Ca 0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.57 3iyj n SER 356 Cb 0.41 1.37 0.01 0.00 -0.26 0.00 0.00 64.21 65.74 3iyj n SER 356 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3iyj h LYS 357 N 0.00 0.86 -5.30 4.33 1.79 -1.97 -3.43 116.57 112.85 3iyj h LYS 357 Ca -0.34 -0.22 -0.61 0.00 -2.18 0.00 0.00 60.65 57.29 3iyj h LYS 357 Cb 1.78 -0.10 -0.13 0.00 -1.58 0.00 0.00 32.23 32.20 3iyj h LYS 357 CO 0.02 0.84 -0.22 -0.59 -1.08 0.00 0.00 179.45 178.41 3iyj s PHE 358 N -5.22 3.32 -0.23 -1.35 -0.12 -1.26 0.18 117.98 113.29 3iyj s PHE 358 Ca -0.13 0.52 -0.18 0.00 -0.05 0.00 0.00 56.93 57.09 3iyj s PHE 358 Cb 0.12 -2.53 -0.03 0.00 -0.63 0.00 0.00 43.02 39.94 3iyj s PHE 358 CO 0.81 -0.10 0.51 -0.80 -0.05 0.00 0.00 175.22 175.59 3iyj s ASN 359 N 1.28 6.48 -0.17 1.98 0.02 -0.01 -4.91 114.94 119.61 3iyj s ASN 359 Ca 0.17 0.58 -0.28 0.00 -1.02 0.00 0.00 52.86 52.31 3iyj s ASN 359 Cb -0.15 -2.28 -0.01 0.00 0.02 0.00 0.00 41.25 38.83 3iyj s ASN 359 CO 0.08 -0.23 0.95 -0.69 0.02 0.00 0.00 177.10 177.23 3iyj s VAL 360 N 2.00 4.78 0.35 1.60 1.01 -1.26 -2.30 120.40 126.58 3iyj s VAL 360 Ca 0.22 1.88 0.08 0.00 0.00 0.00 0.00 61.98 64.16 3iyj s VAL 360 Cb -0.15 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 3iyj s VAL 360 CO 0.09 -0.05 0.25 -0.31 0.00 0.00 0.00 175.10 175.08 3iyj s TYR 361 N 2.49 2.80 -0.20 5.22 4.12 -0.87 -4.96 117.35 125.95 3iyj s TYR 361 Ca 0.43 -0.37 -0.04 0.00 0.02 0.00 0.00 57.07 57.11 3iyj s TYR 361 Cb -0.16 -1.81 0.09 0.00 -1.52 0.00 0.00 41.96 38.55 3iyj s TYR 361 CO 0.12 0.19 0.18 -1.58 0.02 0.00 0.00 175.55 174.48 3iyj s HIS 362 N -2.38 -0.11 0.01 2.71 2.46 -1.26 -2.52 115.29 114.19 3iyj s HIS 362 Ca 0.41 -0.02 0.03 0.00 0.47 0.00 0.00 55.06 55.95 3iyj s HIS 362 Cb -0.04 -0.49 -0.01 0.00 -0.13 0.00 0.00 32.58 31.91 3iyj s HIS 362 CO 0.25 -0.60 -0.09 1.03 -2.47 0.00 0.00 174.74 172.86 3iyj s ARG 363 N 2.26 0.70 0.03 2.88 1.81 -0.61 -4.28 118.95 121.74 3iyj s ARG 363 Ca 0.06 -0.42 -0.00 0.00 -1.72 0.00 0.00 55.73 53.65 3iyj s ARG 363 Cb -0.16 -0.66 -0.02 0.00 -0.45 0.00 0.00 34.95 33.66 3iyj s ARG 363 CO -0.13 0.17 -0.03 -1.58 -0.68 0.00 0.00 175.30 173.05 3iyj s HIS 364 N -0.43 0.33 -0.07 -0.53 5.65 -0.84 -0.91 115.29 118.50 3iyj s HIS 364 Ca 0.02 -0.62 -0.03 0.00 0.25 0.00 0.00 55.06 54.67 3iyj s HIS 364 Cb -0.05 -0.23 0.04 0.00 -1.18 0.00 0.00 32.58 31.16 3iyj s HIS 364 CO -0.00 -0.22 0.15 -1.64 -0.65 0.00 0.00 174.74 172.39 3iyj s MET 365 N -1.89 0.11 -0.04 2.88 1.00 -1.26 -1.42 119.30 118.68 3iyj s MET 365 Ca -0.12 0.37 0.07 0.00 0.00 0.00 0.00 55.69 56.01 3iyj s MET 365 Cb -0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 34.83 34.60 3iyj s MET 365 CO -0.02 -0.15 -0.23 -1.21 0.00 0.00 0.00 175.02 173.40 3iyj s GLU 366 N 1.06 2.30 -0.05 2.03 0.41 -0.96 -4.95 118.70 118.55 3iyj s GLU 366 Ca -0.08 -0.87 0.03 0.00 -0.41 0.00 0.00 54.97 53.63 3iyj s GLU 366 Cb -0.10 -2.14 0.01 0.00 -1.78 0.00 0.00 34.13 30.11 3iyj s GLU 366 CO -0.06 0.53 -0.11 -2.00 -0.49 0.00 0.00 175.26 173.13 3iyj s GLU 367 N -0.52 1.39 0.18 1.61 2.12 -1.26 -3.00 118.70 119.22 3iyj s GLU 367 Ca 0.07 -0.39 0.04 0.00 0.36 0.00 0.00 54.97 55.05 3iyj s GLU 367 Cb -0.11 -1.22 -0.05 0.00 0.26 0.00 0.00 34.13 33.02 3iyj s GLU 367 CO 0.00 0.09 -0.06 0.71 -0.54 0.00 0.00 175.26 175.47 3iyj s TYR 368 N 0.40 1.36 -0.00 5.30 1.51 -1.01 -2.49 117.35 122.41 3iyj s TYR 368 Ca -0.08 -0.84 -0.03 0.00 -1.01 0.00 0.00 57.07 55.10 3iyj s TYR 368 Cb -0.12 -0.74 -0.00 0.00 -0.11 0.00 0.00 41.96 40.98 3iyj s TYR 368 CO 0.02 0.01 0.06 0.21 -1.11 0.00 0.00 175.55 174.74 3iyj s LYS 369 N -3.81 0.31 -0.05 -0.62 2.20 -0.32 -1.05 119.74 116.40 3iyj s LYS 369 Ca 0.21 -0.32 0.04 0.00 -0.36 0.00 0.00 55.97 55.54 3iyj s LYS 369 Cb 0.04 0.12 -0.00 0.00 -1.51 0.00 0.00 37.83 36.48 3iyj s LYS 369 CO 0.04 -0.06 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.29 3iyj s LEU 370 N -0.99 1.88 -0.04 5.43 1.43 -1.26 -1.37 118.68 123.77 3iyj s LEU 370 Ca -0.11 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 3iyj s LEU 370 Cb -0.06 -0.94 0.02 0.00 0.03 0.00 0.00 46.19 45.24 3iyj s LEU 370 CO 0.00 0.13 -0.02 0.00 0.23 0.00 0.00 176.35 176.70 3iyj s ALA 371 N 0.14 0.49 0.10 4.21 0.00 -1.09 -1.53 121.76 124.07 3iyj s ALA 371 Ca -0.06 0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.04 3iyj s ALA 371 Cb -0.12 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 3iyj s ALA 371 CO 0.03 -0.06 -0.20 -0.06 0.00 0.00 0.00 175.76 175.46 3iyj s PHE 372 N 1.00 1.72 -0.63 0.00 0.40 -0.84 -1.51 117.98 118.13 3iyj s PHE 372 Ca -0.10 -0.42 0.04 0.00 -0.60 0.00 0.00 56.93 55.85 3iyj s PHE 372 Cb -0.14 -0.95 0.15 0.00 0.51 0.00 0.00 43.02 42.60 3iyj s PHE 372 CO -0.01 0.18 0.40 0.42 0.70 0.00 0.00 175.22 176.92 3iyj s ILE 373 N -1.16 2.92 0.43 0.64 -1.09 -0.11 -1.56 121.20 121.28 3iyj s ILE 373 Ca 0.05 -3.73 -0.10 0.00 -2.23 0.00 0.00 60.65 54.64 3iyj s ILE 373 Cb -0.10 -2.95 -0.06 0.00 -1.58 0.00 0.00 42.46 37.77 3iyj s ILE 373 CO 0.04 -0.91 0.80 -0.76 -1.23 0.00 0.00 174.94 172.88 3iyj s LEU 374 N -0.83 3.76 0.13 2.97 1.43 -1.11 -0.97 118.68 124.07 3iyj s LEU 374 Ca 0.21 1.14 0.04 0.00 -1.03 0.00 0.00 54.13 54.50 3iyj s LEU 374 Cb -0.16 -4.05 -0.04 0.00 0.03 0.00 0.00 46.19 41.98 3iyj s LEU 374 CO -0.08 -0.46 -0.10 -1.83 0.23 0.00 0.00 176.35 174.12 3iyj s GLU 375 N -4.04 1.01 0.20 1.70 -1.05 0.23 -0.24 118.70 116.50 3iyj s GLU 375 Ca 0.51 -1.39 -0.22 0.00 -0.15 0.00 0.00 54.97 53.72 3iyj s GLU 375 Cb -0.10 -0.59 -0.08 0.00 -0.44 0.00 0.00 34.13 32.91 3iyj s GLU 375 CO 0.34 0.07 0.75 -1.17 0.95 0.00 0.00 175.26 176.21 3iyj s LEU 376 N -3.01 4.45 -0.23 1.83 2.96 -0.95 -1.87 118.68 121.86 3iyj s LEU 376 Ca 0.14 1.53 -0.08 0.00 -0.22 0.00 0.00 54.13 55.50 3iyj s LEU 376 Cb 0.02 -3.46 0.10 0.00 0.50 0.00 0.00 46.19 43.34 3iyj s LEU 376 CO 0.00 0.11 0.49 0.00 -1.32 0.00 0.00 176.35 175.63 3iyj s SER 378 N 2.50 6.36 -0.03 0.00 1.04 -0.20 -1.23 113.70 122.14 3iyj s SER 378 Ca -0.04 0.43 -0.17 0.00 0.48 0.00 0.00 55.95 56.64 3iyj s SER 378 Cb -0.11 -2.25 -0.05 0.00 0.10 0.00 0.00 66.02 63.71 3iyj s SER 378 CO -0.15 -0.22 0.48 0.68 0.98 0.00 0.00 173.24 175.02 3iyj s VAL 379 N 2.08 5.01 0.69 5.02 -7.23 0.10 -0.54 120.40 125.52 3iyj s VAL 379 Ca 0.18 0.99 -0.12 0.00 -1.81 0.00 0.00 61.98 61.23 3iyj s VAL 379 Cb -0.16 -3.81 0.01 0.00 0.56 0.00 0.00 36.38 32.99 3iyj s VAL 379 CO 0.09 0.47 1.07 -1.61 -0.31 0.00 0.00 175.10 174.81 3iyj s GLU 380 N -0.42 2.88 -0.57 4.82 2.02 -1.14 -1.41 118.70 124.88 3iyj s GLU 380 Ca 0.26 1.05 0.06 0.00 0.02 0.00 0.00 54.97 56.37 3iyj s GLU 380 Cb -0.17 -1.98 0.22 0.00 0.10 0.00 0.00 34.13 32.31 3iyj s GLU 380 CO 0.14 -1.15 0.60 -0.89 0.02 0.00 0.00 175.26 173.97 3iyj n ILE 381 N -2.97 1.07 -3.66 -1.63 2.08 0.11 -4.75 119.36 109.61 3iyj n ILE 381 Ca 0.08 -4.66 -0.30 0.00 0.56 0.00 0.00 62.75 58.43 3iyj n ILE 381 Cb 0.53 -2.03 -0.04 0.00 -0.75 0.00 0.00 39.64 37.35 3iyj n ILE 381 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3iyj s THR 382 N -1.68 5.17 0.27 1.39 2.01 -1.26 -4.87 115.64 116.67 3iyj s THR 382 Ca 0.35 -0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.22 3iyj s THR 382 Cb 0.10 -3.66 0.39 0.00 0.01 0.00 0.00 72.50 69.35 3iyj s THR 382 CO -0.09 -0.03 1.58 0.00 -0.69 0.00 0.00 174.62 175.39 3iyj h ALA 383 N 2.56 0.79 0.19 7.40 0.00 -1.99 0.12 119.26 128.33 3iyj h ALA 383 Ca -0.46 0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3iyj h ALA 383 Cb 1.17 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.59 3iyj h ALA 383 CO 0.71 -0.45 -0.09 0.37 0.00 0.00 0.00 179.25 179.79 3iyj h GLN 384 N 0.02 -0.24 -0.52 0.00 4.15 -1.99 -1.68 115.11 114.84 3iyj h GLN 384 Ca 0.48 0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.82 3iyj h GLN 384 Cb 0.84 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.57 3iyj h GLN 384 CO -0.89 -0.05 -0.04 1.79 -1.93 0.00 0.00 178.83 177.70 3iyj h THR 385 N -0.40 1.27 0.28 2.39 1.35 -1.76 -1.35 112.91 114.69 3iyj h THR 385 Ca -0.03 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3iyj h THR 385 Cb 0.31 0.97 -0.04 0.00 -1.73 0.00 0.00 68.15 67.66 3iyj h THR 385 CO 0.04 0.41 -0.52 0.58 -0.25 0.00 0.00 175.52 175.78 3iyj h VAL 386 N 0.81 0.01 -0.31 6.82 2.07 -0.79 -2.55 116.25 122.30 3iyj h VAL 386 Ca 0.14 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.70 3iyj h VAL 386 Cb 0.58 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 3iyj h VAL 386 CO 0.03 0.00 -0.42 -1.28 0.02 0.00 0.00 177.57 175.93 3iyj h SER 387 N -0.86 -1.40 -0.58 0.57 0.87 -1.24 -2.41 113.55 108.50 3iyj h SER 387 Ca -0.03 0.18 0.18 0.00 -1.23 0.00 0.00 61.79 60.89 3iyj h SER 387 Cb 0.81 0.57 -0.11 0.00 -0.44 0.00 0.00 62.40 63.23 3iyj h SER 387 CO -0.19 -0.30 0.07 1.57 -0.53 0.00 0.00 176.83 177.45 3iyj n HIS 388 N -4.69 0.43 0.29 2.24 -0.00 -0.51 0.73 115.22 113.71 3iyj n HIS 388 Ca -0.03 0.70 0.18 0.00 -0.00 0.00 0.00 57.72 58.57 3iyj n HIS 388 Cb 0.25 -0.98 0.87 0.00 -0.00 0.00 0.00 29.99 30.13 3iyj n HIS 388 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3iyj h LEU 389 N 0.00 0.00 -0.68 0.27 3.38 -1.27 -2.96 115.31 114.06 3iyj h LEU 389 Ca 0.38 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.47 3iyj h LEU 389 Cb 0.85 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.52 3iyj h LEU 389 CO -0.53 0.00 0.26 1.56 0.09 0.00 0.00 178.44 179.82 3iyj h GLN 390 N 0.00 0.42 0.00 1.13 1.08 0.17 0.24 115.11 118.15 3iyj h GLN 390 Ca 0.00 -0.03 -0.11 0.00 -1.45 0.00 0.00 58.65 57.07 3iyj h GLN 390 Cb 0.17 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 3iyj h GLN 390 CO 0.00 0.28 -0.99 0.78 -0.95 0.00 0.00 178.83 177.94 3iyj h GLY 391 N 0.43 0.00 0.72 3.46 0.00 -1.71 -3.34 103.07 102.63 3iyj h GLY 391 Ca 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.64 3iyj h GLY 391 CO -0.35 0.00 -0.08 -2.00 0.00 0.00 0.00 176.54 174.11 3iyj h LEU 392 N 0.00 0.29 -7.04 3.11 5.85 -1.38 -3.46 115.31 112.68 3iyj h LEU 392 Ca -0.08 -0.44 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 3iyj h LEU 392 Cb 1.39 -0.08 -0.22 0.00 0.37 0.00 0.00 40.66 42.12 3iyj h LEU 392 CO 0.04 0.66 0.03 0.00 -0.34 0.00 0.00 178.44 178.83 3iyj s MET 393 N -4.47 0.73 0.16 1.25 0.23 0.79 -4.99 119.30 112.99 3iyj s MET 393 Ca -0.14 1.05 -0.10 0.00 -1.03 0.00 0.00 55.69 55.48 3iyj s MET 393 Cb 0.05 0.25 0.02 0.00 -1.53 0.00 0.00 34.83 33.61 3iyj s MET 393 CO 0.73 -0.12 1.54 -1.00 -2.03 0.00 0.00 175.02 174.14 3iyj h PRO 394 N 6.05 0.96 0.16 3.16 0.13 -1.77 -3.39 132.00 137.31 3iyj h PRO 394 Ca -0.30 -0.43 -0.25 0.00 -0.87 0.00 0.00 66.00 64.14 3iyj h PRO 394 Cb 1.19 -0.02 0.03 0.00 0.13 0.00 0.00 31.00 32.33 3iyj h PRO 394 CO 0.13 1.10 -1.09 0.66 -0.23 0.00 0.00 178.00 178.57 3iyj h SER 395 N 0.82 0.68 0.34 1.44 4.64 -1.93 -3.33 113.55 116.21 3iyj h SER 395 Ca 0.10 -0.90 -0.01 0.00 -0.47 0.00 0.00 61.79 60.51 3iyj h SER 395 Cb 0.84 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3iyj h SER 395 CO 0.07 1.52 -0.04 1.62 -0.87 0.00 0.00 176.83 179.14 3iyj h VAL 396 N -0.05 0.22 0.00 0.95 3.04 -1.96 -0.38 116.25 118.08 3iyj h VAL 396 Ca -0.18 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 3iyj h VAL 396 Cb 1.84 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 32.34 3iyj h VAL 396 CO 0.21 0.04 -0.01 -0.07 -1.01 0.00 0.00 177.57 176.73 3iyj h LEU 397 N 0.00 0.00 0.02 3.16 3.38 -1.79 -2.16 115.31 117.93 3iyj h LEU 397 Ca -0.00 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3iyj h LEU 397 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3iyj h LEU 397 CO 0.00 0.00 -0.31 1.05 0.09 0.00 0.00 178.44 179.28 3iyj h GLU 398 N 0.00 0.05 -0.53 1.13 4.11 -1.19 -1.37 114.58 116.77 3iyj h GLU 398 Ca 0.00 -0.08 -0.11 0.00 0.07 0.00 0.00 59.36 59.23 3iyj h GLU 398 Cb 0.90 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3iyj h GLU 398 CO 0.00 1.04 -0.11 -0.91 0.07 0.00 0.00 179.01 179.10 3iyj h ASN 399 N -0.89 1.00 0.41 3.06 2.35 -1.63 -1.46 115.58 118.42 3iyj h ASN 399 Ca -0.07 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3iyj h ASN 399 Cb 1.15 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.25 3iyj h ASN 399 CO -0.00 1.11 0.00 0.79 -1.65 0.00 0.00 177.43 177.68 3iyj n TRP 400 N -4.14 0.15 -3.81 1.19 8.01 -0.81 -4.91 117.44 113.12 3iyj n TRP 400 Ca 0.02 0.06 -0.35 0.00 -1.31 0.00 0.00 57.50 55.92 3iyj n TRP 400 Cb 0.40 -0.60 0.03 0.00 -2.01 0.00 0.00 31.31 29.13 3iyj n TRP 400 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.69 175.83 3iyj n GLU 401 N -1.64 -1.19 -0.00 -0.99 0.28 -0.55 -4.90 120.64 111.65 3iyj n GLU 401 Ca 0.02 0.36 0.03 0.00 -0.16 0.00 0.00 57.16 57.42 3iyj n GLU 401 Cb 0.14 -3.78 -0.04 0.00 1.43 0.00 0.00 31.44 29.18 3iyj n GLU 401 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3iyj n ILE 402 N -4.42 0.00 -3.61 3.84 5.41 -0.56 -5.04 119.36 114.98 3iyj n ILE 402 Ca -0.12 -0.30 -0.09 0.00 1.00 0.00 0.00 62.75 63.23 3iyj n ILE 402 Cb 0.59 0.89 -0.06 0.00 -0.71 0.00 0.00 39.64 40.36 3iyj n ILE 402 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3iyj s GLY 403 N -1.87 -0.16 0.01 7.39 0.00 -1.24 -5.08 107.32 106.36 3iyj s GLY 403 Ca 0.02 2.43 -0.03 0.00 0.00 0.00 0.00 44.72 47.14 3iyj s GLY 403 CO 0.30 1.43 0.05 0.14 0.00 0.00 0.00 173.10 175.02 3iyj s VAL 404 N -0.47 0.08 0.18 1.40 1.01 -1.26 -4.62 120.40 116.72 3iyj s VAL 404 Ca 0.01 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 3iyj s VAL 404 Cb -0.03 -0.29 0.09 0.00 0.00 0.00 0.00 36.38 36.16 3iyj s VAL 404 CO -0.03 -0.36 1.73 1.56 0.00 0.00 0.00 175.10 177.99 3iyj h GLN 405 N 4.78 0.99 -4.69 2.72 1.08 -2.03 -3.44 115.11 114.51 3iyj h GLN 405 Ca -0.30 -0.20 -0.26 0.00 -1.45 0.00 0.00 58.65 56.44 3iyj h GLN 405 Cb 1.20 -0.15 -0.17 0.00 -0.05 0.00 0.00 27.48 28.31 3iyj h GLN 405 CO 0.42 0.85 -0.72 -1.25 -0.95 0.00 0.00 178.83 177.18 3iyj s PRO 406 N -5.48 0.74 0.38 1.46 0.04 -1.26 -5.14 135.00 125.75 3iyj s PRO 406 Ca -0.13 -1.12 -0.27 0.00 0.04 0.00 0.00 61.00 59.52 3iyj s PRO 406 Cb 0.14 -0.30 -0.10 0.00 0.04 0.00 0.00 34.50 34.28 3iyj s PRO 406 CO 0.81 0.02 1.38 -1.25 0.04 0.00 0.00 177.00 178.01 3iyj s PRO 407 N -2.92 4.11 0.20 0.56 0.04 -1.26 -4.92 135.00 130.80 3iyj s PRO 407 Ca 0.04 2.34 -0.09 0.00 0.04 0.00 0.00 61.00 63.33 3iyj s PRO 407 Cb -0.01 -2.92 0.14 0.00 0.04 0.00 0.00 34.50 31.76 3iyj s PRO 407 CO -0.02 -0.44 1.78 1.15 0.04 0.00 0.00 177.00 179.51 3iyj h THR 408 N 2.80 1.25 -0.52 1.26 2.02 -1.98 -2.74 112.91 114.99 3iyj h THR 408 Ca -0.50 -0.75 -0.12 0.00 0.77 0.00 0.00 66.41 65.82 3iyj h THR 408 Cb 1.24 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3iyj h THR 408 CO 0.64 0.31 -0.14 0.77 0.37 0.00 0.00 175.52 177.47 3iyj h SER 409 N 1.08 1.02 0.01 4.18 4.64 -2.08 -3.30 113.55 119.10 3iyj h SER 409 Ca 0.26 -0.36 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3iyj h SER 409 Cb 0.17 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3iyj h SER 409 CO -0.03 1.15 -0.00 -1.28 -0.87 0.00 0.00 176.83 175.80 3iyj h SER 410 N 0.88 0.00 -2.97 4.97 0.87 -1.87 -3.43 113.55 112.00 3iyj h SER 410 Ca 0.13 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.16 3iyj h SER 410 Cb 0.71 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.70 3iyj h SER 410 CO 0.05 0.00 0.77 -0.63 -0.53 0.00 0.00 176.83 176.50 3iyj s ILE 411 N -4.49 3.05 -0.41 2.23 -1.09 -1.22 -4.91 121.20 114.37 3iyj s ILE 411 Ca -0.05 0.77 -0.23 0.00 -2.23 0.00 0.00 60.65 58.90 3iyj s ILE 411 Cb 0.14 -3.49 0.02 0.00 -1.58 0.00 0.00 42.46 37.55 3iyj s ILE 411 CO 0.51 0.06 0.80 -0.76 -1.23 0.00 0.00 174.94 174.32 3iyj s LEU 412 N 1.01 4.17 -0.16 2.97 1.43 -1.26 -5.02 118.68 121.81 3iyj s LEU 412 Ca 0.66 0.12 -0.17 0.00 -1.03 0.00 0.00 54.13 53.71 3iyj s LEU 412 Cb -0.39 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 3iyj s LEU 412 CO 0.31 -0.85 0.43 -1.61 0.23 0.00 0.00 176.35 174.87 3iyj s GLU 413 N 3.26 4.26 -0.49 1.70 8.01 -1.26 -5.03 118.70 129.15 3iyj s GLU 413 Ca 0.31 0.32 -0.27 0.00 0.01 0.00 0.00 54.97 55.34 3iyj s GLU 413 Cb -0.12 -3.48 0.03 0.00 -4.31 0.00 0.00 34.13 26.25 3iyj s GLU 413 CO 0.21 0.07 1.05 -0.51 0.01 0.00 0.00 175.26 176.09 3iyj s ASP 414 N 0.79 6.54 -0.15 -0.19 1.11 -1.26 -5.01 116.67 118.49 3iyj s ASP 414 Ca 0.22 0.24 -0.05 0.00 0.18 0.00 0.00 52.55 53.14 3iyj s ASP 414 Cb -0.15 -2.51 -0.03 0.00 1.07 0.00 0.00 42.92 41.30 3iyj s ASP 414 CO 0.08 -1.20 0.01 -0.89 1.18 0.00 0.00 175.17 174.35 3iyj s THR 415 N 4.22 4.35 0.54 -1.27 2.01 -1.26 -5.12 115.64 119.11 3iyj s THR 415 Ca 0.42 -0.20 0.08 0.00 0.31 0.00 0.00 61.69 62.30 3iyj s THR 415 Cb -0.09 -2.92 0.07 0.00 0.01 0.00 0.00 72.50 69.58 3iyj s THR 415 CO 0.28 0.50 0.75 -0.31 -0.69 0.00 0.00 174.62 175.15 3iyj s TYR 416 N 0.13 1.86 0.05 4.92 1.51 -1.26 -5.14 117.35 119.42 3iyj s TYR 416 Ca 0.02 -0.57 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 3iyj s TYR 416 Cb -0.13 -2.34 -0.03 0.00 -0.11 0.00 0.00 41.96 39.35 3iyj s TYR 416 CO 0.02 -0.99 -0.08 0.50 -1.11 0.00 0.00 175.55 173.89 3iyj s ARG 417 N -4.62 0.55 -0.85 -0.62 3.52 -1.26 -4.86 118.95 110.81 3iyj s ARG 417 Ca 0.60 -0.81 -0.04 0.00 -0.13 0.00 0.00 55.73 55.35 3iyj s ARG 417 Cb -0.07 -0.28 -0.00 0.00 -1.56 0.00 0.00 34.95 33.04 3iyj s ARG 417 CO 0.38 0.04 0.69 0.66 -0.81 0.00 0.00 175.30 176.26 3iyj n TYR 418 N 1.33 -2.45 -2.60 5.12 4.02 -1.26 -4.82 117.16 116.50 3iyj n TYR 418 Ca -0.22 0.90 -0.43 0.00 -0.01 0.00 0.00 57.90 58.14 3iyj n TYR 418 Cb 0.55 -3.52 -0.02 0.00 -0.02 0.00 0.00 39.34 36.33 3iyj n TYR 418 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3iyj s ILE 419 N -3.09 4.52 0.33 -0.72 1.01 -1.26 -4.92 121.20 117.07 3iyj s ILE 419 Ca 0.10 1.81 -0.13 0.00 0.00 0.00 0.00 60.65 62.42 3iyj s ILE 419 Cb -0.03 -4.30 0.05 0.00 0.01 0.00 0.00 42.46 38.19 3iyj s ILE 419 CO 0.82 -0.31 0.71 1.21 0.00 0.00 0.00 174.94 177.37 3iyj n GLU 420 N 6.64 0.97 -0.28 2.79 2.13 -1.26 -5.08 120.64 126.53 3iyj n GLU 420 Ca 0.12 -1.90 -0.05 0.00 0.66 0.00 0.00 57.16 55.99 3iyj n GLU 420 Cb 0.46 2.39 0.06 0.00 0.27 0.00 0.00 31.44 34.62 3iyj n GLU 420 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3iyj h SER 421 N 1.73 1.02 -2.71 4.31 4.64 -1.91 -3.38 113.55 117.25 3iyj h SER 421 Ca -0.29 -0.13 -0.55 0.00 -0.47 0.00 0.00 61.79 60.35 3iyj h SER 421 Cb 1.08 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 3iyj h SER 421 CO 0.37 0.86 1.02 -2.16 -0.87 0.00 0.00 176.83 176.05 3iyj s PRO 422 N -5.71 4.20 -1.61 4.77 0.04 -1.26 -3.59 135.00 131.85 3iyj s PRO 422 Ca -0.13 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.80 3iyj s PRO 422 Cb 0.15 -3.88 0.12 0.00 0.04 0.00 0.00 34.50 30.93 3iyj s PRO 422 CO 0.82 -0.78 0.90 0.00 0.04 0.00 0.00 177.00 177.97 3iyj n ALA 423 N 6.77 -1.26 -3.02 8.56 0.00 -1.26 -4.93 120.51 125.38 3iyj n ALA 423 Ca 0.16 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.60 3iyj n ALA 423 Cb 0.43 -4.07 -0.08 0.00 0.00 0.00 0.00 19.45 15.74 3iyj n ALA 423 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3iyj s THR 424 N -3.28 0.08 0.35 0.00 2.01 -1.24 -5.08 115.64 108.50 3iyj s THR 424 Ca 0.70 -0.69 -0.27 0.00 0.31 0.00 0.00 61.69 61.74 3iyj s THR 424 Cb -0.37 -0.86 -0.09 0.00 0.01 0.00 0.00 72.50 71.19 3iyj s THR 424 CO 0.87 -0.38 1.16 -0.75 -0.69 0.00 0.00 174.62 174.82 3iyj s LYS 425 N -2.31 4.28 0.02 4.92 2.20 -1.26 -4.83 119.74 122.76 3iyj s LYS 425 Ca -0.07 1.85 0.02 0.00 -0.36 0.00 0.00 55.97 57.41 3iyj s LYS 425 Cb -0.02 -2.87 -0.01 0.00 -1.51 0.00 0.00 37.83 33.42 3iyj s LYS 425 CO -0.02 -0.12 -0.07 0.00 -0.36 0.00 0.00 175.35 174.78 3iyj n ALA 427 N 2.14 -1.26 -1.24 0.00 0.00 -1.26 -4.93 120.51 113.96 3iyj n ALA 427 Ca -0.18 0.39 -0.05 0.00 0.00 0.00 0.00 53.44 53.60 3iyj n ALA 427 Cb 0.56 -5.32 0.23 0.00 0.00 0.00 0.00 19.45 14.92 3iyj n ALA 427 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iyj n SER 428 N -2.94 3.45 -4.94 0.00 3.41 -1.26 -5.01 113.62 106.33 3iyj n SER 428 Ca -0.01 -3.48 -0.24 0.00 -0.26 0.00 0.00 58.87 54.89 3iyj n SER 428 Cb 0.57 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 3iyj n SER 428 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3iyj s ASN 429 N -1.92 6.01 0.00 4.04 0.01 -1.26 -4.36 114.94 117.47 3iyj s ASN 429 Ca 0.48 0.40 0.00 0.00 -0.71 0.00 0.00 52.86 53.03 3iyj s ASN 429 Cb 0.41 -1.76 0.00 0.00 0.41 0.00 0.00 41.25 40.32 3iyj s ASN 429 CO 0.06 -0.57 0.00 0.52 -1.51 0.00 0.00 177.10 175.61 3iyj n VAL 430 N -2.01 0.00 -4.09 1.60 0.31 -1.26 -5.03 118.33 107.86 3iyj n VAL 430 Ca -0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.22 3iyj n VAL 430 Cb 0.57 -0.01 -0.11 0.00 -0.91 0.00 0.00 33.84 33.39 3iyj n VAL 430 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3iyj s ILE 431 N -2.73 0.43 -0.67 2.52 1.01 -1.26 -4.78 121.20 115.72 3iyj s ILE 431 Ca 0.00 -1.48 0.06 0.00 0.00 0.00 0.00 60.65 59.22 3iyj s ILE 431 Cb 0.00 -1.09 0.07 0.00 0.01 0.00 0.00 42.46 41.45 3iyj s ILE 431 CO 0.00 -0.70 0.79 -0.81 0.00 0.00 0.00 174.94 174.22 3iyj n PRO 432 N 0.71 0.55 -4.75 2.79 -0.04 -1.26 -5.06 135.00 127.94 3iyj n PRO 432 Ca -0.18 -1.07 -0.33 0.00 -0.04 0.00 0.00 63.50 61.88 3iyj n PRO 432 Cb 0.58 -1.12 -0.13 0.00 -0.04 0.00 0.00 33.50 32.80 3iyj n PRO 432 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iyj s ALA 433 N -0.61 2.78 -0.08 0.55 0.00 -1.26 -3.79 121.76 119.35 3iyj s ALA 433 Ca 0.08 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.16 3iyj s ALA 433 Cb 0.05 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 3iyj s ALA 433 CO 0.08 0.47 -0.21 0.21 0.00 0.00 0.00 175.76 176.31 3iyj s LYS 434 N -0.45 2.78 0.01 0.00 2.20 -1.26 -5.06 119.74 117.96 3iyj s LYS 434 Ca 0.06 -0.82 0.02 0.00 -0.36 0.00 0.00 55.97 54.86 3iyj s LYS 434 Cb -0.12 -2.31 -0.04 0.00 -1.51 0.00 0.00 37.83 33.85 3iyj s LYS 434 CO 0.02 0.36 0.02 -2.00 -0.36 0.00 0.00 175.35 173.39 3iyj s GLU 435 N -0.09 2.81 0.40 4.03 2.12 -1.25 -5.09 118.70 121.63 3iyj s GLU 435 Ca -0.05 -0.62 -0.26 0.00 0.36 0.00 0.00 54.97 54.40 3iyj s GLU 435 Cb -0.14 -2.69 -0.09 0.00 0.26 0.00 0.00 34.13 31.47 3iyj s GLU 435 CO 0.04 0.62 1.30 -0.51 -0.54 0.00 0.00 175.26 176.17 3iyj s ASP 436 N -1.72 6.33 0.13 -1.70 1.11 -1.26 -4.94 116.67 114.62 3iyj s ASP 436 Ca 0.21 2.65 -0.11 0.00 0.18 0.00 0.00 52.55 55.48 3iyj s ASP 436 Cb -0.12 -2.64 -0.06 0.00 1.07 0.00 0.00 42.92 41.17 3iyj s ASP 436 CO 0.12 -0.83 1.45 -0.65 1.18 0.00 0.00 175.17 176.43 3iyj h PRO 437 N 2.71 0.91 -0.89 8.23 0.11 -2.02 -3.11 132.00 137.94 3iyj h PRO 437 Ca -0.50 -0.52 -0.07 0.00 0.11 0.00 0.00 66.00 65.03 3iyj h PRO 437 Cb 1.24 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 3iyj h PRO 437 CO 0.63 1.17 0.09 0.66 -0.21 0.00 0.00 178.00 180.33 3iyj n TYR 438 N -4.05 0.95 0.23 0.65 4.02 -1.26 -4.32 117.16 113.38 3iyj n TYR 438 Ca -0.03 -0.53 0.09 0.00 -0.01 0.00 0.00 57.90 57.42 3iyj n TYR 438 Cb 0.58 -0.35 0.57 0.00 -0.02 0.00 0.00 39.34 40.11 3iyj n TYR 438 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3iyj h ALA 439 N 2.39 1.26 -0.37 -0.72 0.00 -1.94 -2.95 119.26 116.93 3iyj h ALA 439 Ca 0.08 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3iyj h ALA 439 Cb 1.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3iyj h ALA 439 CO 0.27 0.26 0.01 0.78 0.00 0.00 0.00 179.25 180.58 3iyj h GLY 440 N 1.19 0.71 -2.33 0.00 0.00 -1.87 -3.43 103.07 97.34 3iyj h GLY 440 Ca -0.00 -0.51 -0.48 0.00 0.00 0.00 0.00 47.33 46.33 3iyj h GLY 440 CO 0.03 0.47 -0.04 -1.36 0.00 0.00 0.00 176.54 175.64 3iyj s PHE 441 N -5.02 3.52 0.01 5.60 0.40 -1.11 -5.11 117.98 116.27 3iyj s PHE 441 Ca -0.13 0.57 -0.05 0.00 -0.60 0.00 0.00 56.93 56.72 3iyj s PHE 441 Cb 0.10 -2.12 -0.01 0.00 0.51 0.00 0.00 43.02 41.50 3iyj s PHE 441 CO 0.78 -0.10 0.08 -1.59 0.70 0.00 0.00 175.22 175.09 3iyj s LYS 442 N -4.54 0.43 0.29 0.44 0.00 -1.26 -4.90 119.74 110.20 3iyj s LYS 442 Ca 0.44 -0.48 -0.18 0.00 0.00 0.00 0.00 55.97 55.75 3iyj s LYS 442 Cb -0.10 0.17 0.02 0.00 0.00 0.00 0.00 37.83 37.92 3iyj s LYS 442 CO 0.41 -0.10 0.68 -0.59 0.00 0.00 0.00 175.35 175.74 3iyj s PHE 443 N -1.45 -0.01 0.22 1.78 -0.12 -1.26 -2.52 117.98 114.62 3iyj s PHE 443 Ca -0.15 -0.45 -0.32 0.00 -0.05 0.00 0.00 56.93 55.96 3iyj s PHE 443 Cb -0.08 0.60 -0.14 0.00 -0.63 0.00 0.00 43.02 42.78 3iyj s PHE 443 CO 0.01 -1.23 1.42 1.87 -0.05 0.00 0.00 175.22 177.24 3iyj n TRP 444 N -0.46 2.13 -3.87 3.49 -0.00 -1.00 -4.83 117.44 112.91 3iyj n TRP 444 Ca -0.04 0.42 -0.36 0.00 -0.00 0.00 0.00 57.50 57.52 3iyj n TRP 444 Cb 0.60 -2.46 -0.13 0.00 -0.00 0.00 0.00 31.31 29.31 3iyj n TRP 444 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 3iyj s ASN 445 N 0.38 4.94 -0.30 5.87 3.04 -1.26 -1.53 114.94 126.08 3iyj s ASN 445 Ca 0.70 -1.14 -0.07 0.00 0.04 0.00 0.00 52.86 52.39 3iyj s ASN 445 Cb -0.67 -1.76 0.01 0.00 -1.54 0.00 0.00 41.25 37.29 3iyj s ASN 445 CO 0.48 -0.25 0.08 -0.63 -3.04 0.00 0.00 177.10 173.74 3iyj s ILE 446 N 1.32 3.97 -0.11 -5.21 1.01 -0.55 -4.95 121.20 116.68 3iyj s ILE 446 Ca -0.03 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.72 3iyj s ILE 446 Cb -0.19 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3iyj s ILE 446 CO -0.00 0.07 0.53 -0.62 0.00 0.00 0.00 174.94 174.92 3iyj s ASP 447 N 1.50 6.75 -0.03 3.58 -1.08 -1.26 -1.89 116.67 124.24 3iyj s ASP 447 Ca 0.02 0.90 0.04 0.00 -0.52 0.00 0.00 52.55 53.00 3iyj s ASP 447 Cb -0.17 -2.32 0.07 0.00 -1.46 0.00 0.00 42.92 39.04 3iyj s ASP 447 CO 0.02 -0.03 1.04 0.18 0.52 0.00 0.00 175.17 176.90 3iyj n LEU 448 N 3.72 2.09 0.26 -1.34 4.77 -1.03 -4.79 117.00 120.68 3iyj n LEU 448 Ca -0.06 -2.24 0.18 0.00 -0.03 0.00 0.00 56.01 53.87 3iyj n LEU 448 Cb 0.52 -0.10 0.89 0.00 -2.33 0.00 0.00 43.42 42.40 3iyj n LEU 448 CO 0.44 0.55 1.15 0.11 -1.33 0.00 0.00 177.39 178.31 3iyj h LYS 449 N 0.03 0.00 0.00 3.23 1.57 -1.87 -3.10 116.57 116.43 3iyj h LYS 449 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3iyj h LYS 449 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3iyj h LYS 449 CO 0.00 0.00 -1.16 0.39 -0.57 0.00 0.00 179.45 178.11 3iyj n GLU 450 N -3.36 2.67 -1.31 3.15 1.02 -1.26 -4.69 120.64 116.86 3iyj n GLU 450 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.80 3iyj n GLU 450 Cb 0.33 -1.06 -0.05 0.00 -0.02 0.00 0.00 31.44 30.64 3iyj n GLU 450 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3iyj n LYS 451 N -2.22 3.49 -4.38 3.49 5.02 -1.17 -4.73 118.16 117.66 3iyj n LYS 451 Ca -0.04 -2.11 -0.21 0.00 -2.02 0.00 0.00 58.31 53.94 3iyj n LYS 451 Cb 0.57 -2.65 -0.16 0.00 -0.02 0.00 0.00 35.03 32.77 3iyj n LYS 451 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3iyj s LEU 452 N -0.06 1.72 0.00 -0.35 2.96 -1.25 -3.37 118.68 118.33 3iyj s LEU 452 Ca 0.68 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.43 3iyj s LEU 452 Cb 0.21 -0.56 -0.01 0.00 0.50 0.00 0.00 46.19 46.32 3iyj s LEU 452 CO -0.06 0.05 0.11 -0.24 -1.32 0.00 0.00 176.35 174.90 3iyj n SER 453 N 3.42 0.57 0.00 3.68 2.88 -1.05 -4.98 113.62 118.13 3iyj n SER 453 Ca -0.19 -2.28 0.00 0.00 -1.33 0.00 0.00 58.87 55.07 3iyj n SER 453 Cb 0.54 0.74 0.00 0.00 -0.75 0.00 0.00 64.21 64.73 3iyj n SER 453 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3iyj n LEU 454 N 0.00 0.35 -4.38 2.46 7.94 -1.26 -2.27 117.00 119.85 3iyj n LEU 454 Ca -0.01 -0.50 -0.45 0.00 -1.11 0.00 0.00 56.01 53.94 3iyj n LEU 454 Cb 0.36 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.27 3iyj n LEU 454 CO 0.19 0.09 0.55 -1.81 -1.11 0.00 0.00 177.39 175.29 3iyj s ASP 455 N -0.30 6.49 0.24 1.96 1.11 -1.26 -4.89 116.67 120.02 3iyj s ASP 455 Ca 0.00 -2.02 -0.06 0.00 0.18 0.00 0.00 52.55 50.65 3iyj s ASP 455 Cb 0.00 -2.29 0.33 0.00 1.07 0.00 0.00 42.92 42.03 3iyj s ASP 455 CO 0.00 -0.91 1.84 -0.07 1.18 0.00 0.00 175.17 177.21 3iyj h LEU 456 N 9.31 0.77 -0.81 1.23 3.38 -1.93 -2.86 115.31 124.40 3iyj h LEU 456 Ca -0.05 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.07 3iyj h LEU 456 Cb 1.06 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 3iyj h LEU 456 CO 0.99 0.48 0.42 -0.78 0.09 0.00 0.00 178.44 179.64 3iyj h ASP 457 N 0.90 0.53 -0.46 -0.43 3.58 -1.91 -3.25 116.42 115.38 3iyj h ASP 457 Ca 0.37 0.08 0.09 0.00 0.42 0.00 0.00 57.03 57.98 3iyj h ASP 457 Cb 0.20 -0.01 -0.10 0.00 1.72 0.00 0.00 39.33 41.14 3iyj h ASP 457 CO -0.18 0.26 -0.22 1.56 -2.88 0.00 0.00 179.24 177.78 3iyj h GLN 458 N 0.65 -0.12 -7.54 0.28 1.08 -1.93 -3.39 115.11 104.14 3iyj h GLN 458 Ca 0.42 0.01 -0.47 0.00 -1.45 0.00 0.00 58.65 57.15 3iyj h GLN 458 Cb 0.51 0.03 0.09 0.00 -0.05 0.00 0.00 27.48 28.06 3iyj h GLN 458 CO -0.32 -0.08 0.38 -0.06 -0.95 0.00 0.00 178.83 177.80 3iyj s PHE 459 N -6.12 3.02 0.05 2.96 0.40 -1.23 -4.99 117.98 112.07 3iyj s PHE 459 Ca -0.14 0.76 -0.26 0.00 -0.60 0.00 0.00 56.93 56.69 3iyj s PHE 459 Cb 0.15 -3.36 -0.17 0.00 0.51 0.00 0.00 43.02 40.15 3iyj s PHE 459 CO 0.70 -1.59 1.49 -1.00 0.70 0.00 0.00 175.22 175.52 3iyj h PRO 460 N -0.90 -0.36 0.00 0.24 0.13 -1.89 -2.91 132.00 126.30 3iyj h PRO 460 Ca -0.46 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3iyj h PRO 460 Cb 1.31 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3iyj h PRO 460 CO 0.65 -0.13 0.00 -0.11 -0.23 0.00 0.00 178.00 178.18 3iyj n LEU 461 N -5.18 0.00 0.01 1.56 7.94 -1.26 -2.68 117.00 117.40 3iyj n LEU 461 Ca -0.10 0.43 -0.04 0.00 -1.11 0.00 0.00 56.01 55.19 3iyj n LEU 461 Cb 0.22 -0.43 -0.03 0.00 0.53 0.00 0.00 43.42 43.71 3iyj n LEU 461 CO 0.34 -0.23 0.13 1.23 -1.11 0.00 0.00 177.39 177.74 3iyj h GLY 462 N 2.28 -0.16 0.37 -3.96 0.00 -1.65 -2.51 103.07 97.44 3iyj h GLY 462 Ca 0.00 0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.49 3iyj h GLY 462 CO 0.00 -0.06 0.28 3.21 0.00 0.00 0.00 176.54 179.97 3iyj h ARG 463 N -1.02 0.46 -0.56 4.80 3.08 -1.54 0.69 114.38 120.28 3iyj h ARG 463 Ca -0.02 -0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.17 3iyj h ARG 463 Cb 0.24 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3iyj h ARG 463 CO 0.03 0.30 0.44 0.00 -1.07 0.00 0.00 179.97 179.67 3iyj h ARG 464 N 0.47 0.00 0.00 0.04 2.47 -1.59 0.31 114.38 116.09 3iyj h ARG 464 Ca 0.34 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.06 3iyj h ARG 464 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 3iyj h ARG 464 CO -0.31 0.00 -0.09 0.35 0.56 0.00 0.00 179.97 180.48 3iyj h PHE 465 N 0.00 0.00 -0.96 3.04 3.57 0.69 -3.32 116.94 119.97 3iyj h PHE 465 Ca 0.27 0.00 0.23 0.00 3.53 0.00 0.00 57.97 62.00 3iyj h PHE 465 Cb 1.14 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.81 3iyj h PHE 465 CO 0.00 0.00 0.63 -0.07 -2.23 0.00 0.00 178.31 176.64 3iyj h LEU 466 N -0.63 0.40 0.18 0.59 3.38 -0.41 -0.49 115.31 118.32 3iyj h LEU 466 Ca 0.00 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3iyj h LEU 466 Cb 0.09 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3iyj h LEU 466 CO 0.00 0.14 -0.49 0.00 0.09 0.00 0.00 178.44 178.18 3iyj h ALA 467 N 1.60 -0.93 -0.68 1.53 0.00 -0.53 0.31 119.26 120.56 3iyj h ALA 467 Ca 0.51 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.34 3iyj h ALA 467 Cb 1.31 0.81 -0.04 0.00 0.00 0.00 0.00 17.79 19.87 3iyj h ALA 467 CO -0.20 -1.09 0.45 0.37 0.00 0.00 0.00 179.25 178.77 3iyj h GLN 468 N -0.76 0.79 -0.81 0.00 4.15 -1.23 -2.32 115.11 114.92 3iyj h GLN 468 Ca -0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 3iyj h GLN 468 Cb 0.75 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.23 3iyj h GLN 468 CO -0.24 0.52 0.45 0.37 -1.93 0.00 0.00 178.83 178.00 3iyj h GLN 469 N 0.81 1.13 0.00 1.69 5.75 -0.01 -3.47 115.11 121.01 3iyj h GLN 469 Ca 0.27 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3iyj h GLN 469 Cb 0.07 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.40 3iyj h GLN 469 CO -0.08 0.83 0.00 0.41 -2.65 0.00 0.00 178.83 177.34 3iyj n GLY 470 N -1.12 2.19 3.06 2.39 0.00 -0.07 -4.99 105.19 106.66 3iyj n GLY 470 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3iyj n GLY 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyj n ALA 471 N -0.17 4.88 -3.69 4.61 0.00 -1.15 -4.99 120.51 120.00 3iyj n ALA 471 Ca 0.00 -4.31 -0.27 0.00 0.00 0.00 0.00 53.44 48.86 3iyj n ALA 471 Cb 0.00 -2.98 -0.17 0.00 0.00 0.00 0.00 19.45 16.30 3iyj n ALA 471 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3iyj s GLY 472 N 1.40 0.91 0.21 0.00 0.00 -1.25 -4.40 107.32 104.18 3iyj s GLY 472 Ca 0.40 -0.59 -0.08 0.00 0.00 0.00 0.00 44.72 44.45 3iyj s GLY 472 CO 0.01 0.38 1.72 0.00 0.00 0.00 0.00 173.10 175.21 3iyj s SER 474 N -6.47 2.59 -0.11 0.00 1.04 -1.26 -5.13 113.70 104.35 3iyj s SER 474 Ca -0.12 -0.46 -0.04 0.00 0.48 0.00 0.00 55.95 55.81 3iyj s SER 474 Cb 0.15 -1.16 -0.04 0.00 0.10 0.00 0.00 66.02 65.08 3iyj s SER 474 CO 0.85 0.12 0.06 -0.89 0.98 0.00 0.00 173.24 174.36 3iyj s THR 475 N 0.43 4.85 -1.28 2.02 2.01 -1.26 -4.32 115.64 118.09 3iyj s THR 475 Ca -0.16 -0.04 -0.19 0.00 0.31 0.00 0.00 61.69 61.61 3iyj s THR 475 Cb -0.17 -3.09 0.02 0.00 0.01 0.00 0.00 72.50 69.28 3iyj s THR 475 CO 0.07 0.60 1.85 0.52 -0.69 0.00 0.00 174.62 176.97 3iyj n VAL 476 N 2.20 3.39 -3.62 3.82 0.31 -1.26 -4.84 118.33 118.33 3iyj n VAL 476 Ca -0.19 -3.44 -0.10 0.00 -0.01 0.00 0.00 64.34 60.60 3iyj n VAL 476 Cb 0.54 -2.35 -0.10 0.00 -0.91 0.00 0.00 33.84 31.02 3iyj n VAL 476 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3iyj s ARG 477 N 4.56 0.28 -0.48 5.55 1.81 -1.26 -5.01 118.95 124.40 3iyj s ARG 477 Ca 0.56 0.89 0.07 0.00 -1.72 0.00 0.00 55.73 55.53 3iyj s ARG 477 Cb 0.05 0.12 0.24 0.00 -0.45 0.00 0.00 34.95 34.91 3iyj s ARG 477 CO 0.07 -0.32 0.58 0.36 -0.68 0.00 0.00 175.30 175.31 3iyj n LYS 478 N 5.38 1.30 -1.73 3.54 2.85 -1.26 -5.10 118.16 123.13 3iyj n LYS 478 Ca -0.07 -3.73 -0.42 0.00 -1.05 0.00 0.00 58.31 53.04 3iyj n LYS 478 Cb 0.50 -1.62 -0.02 0.00 -0.65 0.00 0.00 35.03 33.23 3iyj n LYS 478 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3iyj n ARG 479 N 1.35 2.70 -4.73 -1.58 1.74 -1.26 -4.97 116.66 109.90 3iyj n ARG 479 Ca 0.24 0.97 -0.31 0.00 -0.77 0.00 0.00 57.85 57.98 3iyj n ARG 479 Cb 0.48 -2.77 -0.17 0.00 -1.02 0.00 0.00 32.46 28.99 3iyj n ARG 479 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3iyj s ARG 480 N 0.17 2.76 0.06 5.56 1.70 -1.26 -5.12 118.95 122.82 3iyj s ARG 480 Ca 0.69 -0.76 0.05 0.00 -0.47 0.00 0.00 55.73 55.23 3iyj s ARG 480 Cb -0.51 -2.22 -0.04 0.00 -0.57 0.00 0.00 34.95 31.62 3iyj s ARG 480 CO 0.42 0.02 -0.06 0.42 -1.08 0.00 0.00 175.30 175.01 3iyj s ILE 481 N 0.75 3.63 0.00 4.99 -1.09 -1.26 -5.33 121.20 122.88 3iyj s ILE 481 Ca -0.10 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.32 3iyj s ILE 481 Cb -0.16 -2.65 0.00 0.00 -1.58 0.00 0.00 42.46 38.07 3iyj s ILE 481 CO 0.01 0.23 0.00 -0.24 -1.23 0.00 0.00 174.94 173.71